Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T41145 | Target Info | |||
| Target Name | Bromodomain and PHD finger containing 1 (BRPF1) | ||||
| Synonyms | Protein Br140; Peregrin; Bromodomain and PHD finger-containing protein 1; BR140 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | BRPF1 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: PMID25408830C3 | Ligand Info | |||||
| Structure Description | BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-2-oxo-6-(piperidin-1- yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl-2-methoxybenzamide | PDB:4UYE | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
QLTPFLILLR
638 KTLEQLQEKD648 TGNIFSEPVP658 LSEVPDYLDH668 IKKPMDFFTM678 KQNLEAYRYL 688 NFDDFEEDFN698 LIVSNCLKYN708 AKDTIFYRAA718 VRLREQGGAV728 LRQARRQAE |
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| Ligand Name: PFI-4 | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe | PDB:5FG5 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [2] |
| PDB Sequence |
MEMQLTPFLI
635 LLRKTLEQLQ645 EKDTGNIFSE655 PVPLSEVPDY665 LDHIKKPMDF675 FTMKQNLEAY 685 RYLNFDDFEE695 DFNLIVSNCL705 KYNAKDTIFY715 RAAVRLREQG725 GAVLRQARRQ 735 AEKM
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| Ligand Name: 2H-Isoquinolin-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED2 | PDB:5C87 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4YS or .4YS2 or .4YS3 or :34YS;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:662 or .A:665 or .A:700 or .A:703 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: OF-1 | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe | PDB:5FG4 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [4] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KMG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5XE or .5XE2 or .5XE3 or :35XE;style chemicals stick;color identity;select .A:651 or .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:713 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Bromosporine | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with Bromosporine | PDB:5C7N | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BMF or .BMF2 or .BMF3 or :3BMF;style chemicals stick;color identity;select .A:651 or .A:652 or .A:653 or .A:654 or .A:655 or .A:656 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: NI-57 | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human BRPF1 in complex with NI-57 chemical probe | PDB:5MYG | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| PDB Sequence |
MEMQLTPFLI
635 LLRKTLEQLQ645 EKDTGNIFSE655 PVPLSEVPDY665 LDHIKKPMDF675 FTMKQNLEAY 685 RYLNFDDFEE695 DFNLIVSNCL705 KYNAKDTIFY715 RAAVRLREQG725 GAVLRQARRQ 735 AEKMG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LS8 or .LS82 or .LS83 or :3LS8;style chemicals stick;color identity;select .A:650 or .A:651 or .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:713 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Isoquinoline-3-carboxylic Acid | Ligand Info | |||||
| Structure Description | Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a | PDB:5C6S | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [6] |
| PDB Sequence |
EDSPLDALDL
1088 VWAKCRGYPS1098 YPALIIDPKM1108 PREGMFHHGV1118 PIPVPPLEVL1128 KLGEQMTQEA 1138 REHLYLVLFF1148 DNKRTWQWLP1158 RTKLVPLGVN1168 QDLDKEKMLE1178 GRKSNIRKSV 1188 QIAYHRALQH1198 RSKVQG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4K8 or .4K82 or .4K83 or :34K8;style chemicals stick;color identity;select .A:1093 or .A:1096 or .A:1099 or .A:1147 or .A:1149 or .A:1151 or .A:1153 or .A:1187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-N-Ethyl-2-Methoxy-Benzamide | Ligand Info | |||||
| Structure Description | BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-6-2R-2- methylpiperazin-1-yl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl-N- ethyl-2-methoxybenzamide | PDB:5G4S | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [7] |
| PDB Sequence |
EIAMEMQLTP
632 FLILLRKTLE642 QLQEKDTGNI652 FSEPVPLSEV662 PDYLDHIKKP672 MDFFTMKQNL 682 EAYRYLNFDD692 FEEDFNLIVS702 NCLKYNAKDT712 IFYRAAVRLR722 EQGGAVLRQA 732 RRQAEK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8VI or .8VI2 or .8VI3 or :38VI;style chemicals stick;color identity;select .A:651 or .A:652 or .A:653 or .A:655 or .A:656 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-2-Methoxy-Benzamide | Ligand Info | |||||
| Structure Description | BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-6-2R-2- methylpiperazin-1-yl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl-2- methoxybenzamide | PDB:5G4R | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [7] |
| PDB Sequence |
LTPFLILLRK
639 TLEQLQEKDT649 GNIFSEPVPL659 SEVPDYLDHI669 KKPMDFFTMK679 QNLEAYRYLN 689 FDDFEEDFNL699 IVSNCLKYNA709 KDTIFYRAAV719 RLREQGGAVL729 RQARRQAEK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LF1 or .LF12 or .LF13 or :3LF1;style chemicals stick;color identity;select .A:651 or .A:652 or .A:653 or .A:654 or .A:655 or .A:656 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-yl-1,2,3,4-tetrahydroquinoxalin-6-yl)-2-(4-methylpiperazin-1-yl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with BZ073 | PDB:5MWZ | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [8] |
| PDB Sequence |
MEMQLTPFLI
635 LLRKTLEQLQ645 EKDTGNIFSE655 PVPLSEVPDY665 LDHIKKPMDF675 FTMKQNLEAY 685 RYLNFDDFEE695 DFNLIVSNCL705 KYNAKDTIFY715 RAAVRLREQG725 GAVLRQARRQ 735 AEKM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KGU or .KGU2 or .KGU3 or :3KGU;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with BZ038 | PDB:5O5F | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [8] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9LT or .9LT2 or .9LT3 or :39LT;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(7-Methyl-1h-indol-3-yl)ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED13 | PDB:5ETB | ||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5RO or .5RO2 or .5RO3 or :35RO;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(1-Acetyl-1h-Indol-3-Yl)-5-Methyl-1,2-Dihydro-3h-Pyrazol-3-One | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with XZ08 | PDB:5D7X | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [9] |
| PDB Sequence |
SMEMQLTPFL
634 ILLRKTLEQL644 QEKDTGNIFS654 EPVPLSEVPD664 YLDHIKKPMD674 FFTMKQNLEA 684 YRYLNFDDFE694 EDFNLIVSNC704 LKYNAKDTIF714 YRAAVRLREQ724 GGAVLRQARR 734 QAEKM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XZ8 or .XZ82 or .XZ83 or :3XZ8;style chemicals stick;color identity;select .A:652 or .A:653 or .A:655 or .A:656 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Acetylindole | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED14 | PDB:5ETD | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5RN or .5RN2 or .5RN3 or :35RN;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-Hydroxyquinoline | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED9 | PDB:5EM3 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [3] |
| PDB Sequence |
SMEMQLTPFL
634 ILLRKTLEQL644 QEKDTGNIFS654 EPVPLSEVPD664 YLDHIKKPMD674 FFTMKQNLEA 684 YRYLNFDDFE694 EDFNLIVSNC704 LKYNAKDTIF714 YRAAVRLREQ724 GGAVLRQARR 734 QAEKM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5Q0 or .5Q02 or .5Q03 or :35Q0;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2,4-difluorophenyl)-1-methyl-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED16 | PDB:5EVA | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [3] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5S9 or .5S92 or .5S93 or :35S9;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with BZ047 | PDB:5O55 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [8] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9L5 or .9L52 or .9L53 or :39L5;style chemicals stick;color identity;select .A:652 or .A:653 or .A:655 or .A:657 or .A:658 or .A:660 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[5-(1H-pyrazol-4-yl)quinolin-8-yl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED15 | PDB:5EV9 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5SB or .5SB2 or .5SB3 or :35SB;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Methyl-3,4-dihydroquinoxalin-2(1H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED10 | PDB:5EPS | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [3] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5QX or .5QX2 or .5QX3 or :35QX;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,4-Dimethylquinoxaline-2,3-dione | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with BZ061 | PDB:5O4T | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [8] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9KT or .9KT2 or .9KT3 or :39KT;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Methyl-2-quinolone | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human BRPF1 in complex with a quinolinone ligand | PDB:5T4U | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [10] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .12Q or .12Q2 or .12Q3 or :312Q;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-yl-1,2,3,4-tetrahydroquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with BZ091 | PDB:5MWG | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [8] |
| PDB Sequence |
LTPFLILLRK
639 TLEQLQEKDT649 GNIFSEPVPL659 SEVPDYLDHI669 KKPMDFFTMK679 QNLEAYRYLN 689 FDDFEEDFNL699 IVSNCLKYNA709 KDTIFYRAAV719 RLREQGGAVL729 RQARRQAEKM 739
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WGX or .WGX2 or .WGX3 or :3WGX;style chemicals stick;color identity;select .A:651 or .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:713 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Ethyl-~{n}-(6-Methoxy-1,3-Dimethyl-2-Oxidanylidene-Benzimidazol-5-Yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand | PDB:5FFY | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [11] |
| PDB Sequence |
QLTPFLILLR
638 KTLEQLQEKD648 TGNIFSEPVP658 LSEVPDYLDH668 IKKPMDFFTM678 KQNLEAYRYL 688 NFDDFEEDFN698 LIVSNCLKYN708 AKDTIFYRAA718 VRLREQGGAV728 LRQARRQAEK 738 M
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5XD or .5XD2 or .5XD3 or :35XD;style chemicals stick;color identity;select .A:651 or .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:713 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Tricyclazole | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED12 | PDB:5EQ1 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEA or .BEA2 or .BEA3 or :3BEA;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Phenylpyridine | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED18 | PDB:5EWD | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [3] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5SH or .5SH2 or .5SH3 or :35SH;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with BZ032 | PDB:5O5A | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [8] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9LN or .9LN2 or .9LN3 or :39LN;style chemicals stick;color identity;select .A:651 or .A:652 or .A:653 or .A:655 or .A:656 or .A:657 or .A:658 or .A:660 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-Hydroxyisoquinoline | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED19 | PDB:5EWH | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [3] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5SG or .5SG2 or .5SG3 or :35SG;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (2r)-2-Ethyl-3-Oxo-1,2,3,4-Tetrahydroquinoxaline-6-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED5 | PDB:5DYA | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5GV or .5GV2 or .5GV3 or :35GV;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (S)-3-Methyl-3,4-dihydroquinoxalin-2(1H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED11 | PDB:5EPR | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5QY or .5QY2 or .5QY3 or :35QY;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Ethyl-8-Methoxy-5-Methyl[1,2,4]triazolo[4,3-A]quinoline | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with 917 | PDB:5C89 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [12] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4YT or .4YT2 or .4YT3 or :34YT;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Thiouric acid | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED8 | PDB:5E3G | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5JQ or .5JQ2 or .5JQ3 or :35JQ;style chemicals stick;color identity;select .A:652 or .A:655 or .A:656 or .A:657 or .A:658 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Cyano-N-(7-Methoxy-1,4-Dimethyl-2-Oxo-1,2-Dihydroquinolin-6-Yl)benzene-1-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human BRPF1 in complex with NI-48 ligand | PDB:5T4V | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [10] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N48 or .N482 or .N483 or :3N48;style chemicals stick;color identity;select .A:652 or .A:653 or .A:655 or .A:656 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:713 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-hydroxy-4-methyl-1-benzofuran-3(2H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004 | PDB:5OWB | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [13] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AYW or .AYW2 or .AYW3 or :3AYW;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 7-Bromo-3,4-dihydroquinoxalin-2(1H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED6 | PDB:5DYC | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5GU or .5GU2 or .5GU3 or :35GU;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-4-isobutylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with BZ089 | PDB:5MWH | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [8] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UWX or .UWX2 or .UWX3 or :3UWX;style chemicals stick;color identity;select .A:650 or .A:651 or .A:652 or .A:653 or .A:654 or .A:655 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:713 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2 | PDB:6EKQ | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [8] |
| PDB Sequence |
SMEMQLTPFL
634 ILLRKTLEQL644 QEKDTGNIFS654 EPVPLSEVPD664 YLDHIKKPMD674 FFTMKQNLEA 684 YRYLNFDDFE694 EDFNLIVSNC704 LKYNAKDTIF714 YRAAVRLREQ724 GGAVLRQARR 734 QAEKMG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B0H or .B0H2 or .B0H3 or :3B0H;style chemicals stick;color identity;select .A:652 or .A:653 or .A:655 or .A:656 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1,5-Dimethyl-[1,2,4]triazolo[4,3-a]quinoline | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED20 | PDB:5EWV | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [14] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5SN or .5SN2 or .5SN3 or :35SN;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED4 | PDB:5DY7 | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [3] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5GT or .5GT2 or .5GT3 or :35GT;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1,3-dihydroxy-6H-benzo[c]chromen-6-one | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010 | PDB:5OWE | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [15] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B0E or .B0E2 or .B0E3 or :3B0E;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Bromo-3,4-dihydroquinoxalin-2(1H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED1 | PDB:5C85 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4YO or .4YO2 or .4YO3 or :34YO;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Purine-6-ol, 2,8-dimercapto- | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED7 | PDB:5E3D | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5JL or .5JL2 or .5JL3 or :35JL;style chemicals stick;color identity;select .A:652 or .A:655 or .A:656 or .A:657 or .A:658 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-[(2R)-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED21 | PDB:5EWW | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [16] |
| PDB Sequence |
EMQLTPFLIL
636 LRKTLEQLQE646 KDTGNIFSEP656 VPLSEVPDYL666 DHIKKPMDFF676 TMKQNLEAYR 686 YLNFDDFEED696 FNLIVSNCLK706 YNAKDTIFYR716 AAVRLREQGG726 AVLRQARRQA 736 EKM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5SK or .5SK2 or .5SK3 or :35SK;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Ethyl (2~{r})-2-Methyl-3-Oxidanylidene-2,4-Dihydro-1~{h}-Quinoxaline-6-Carboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with SEED17 | PDB:5EWC | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [3] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5SJ or .5SJ2 or .5SJ3 or :35SJ;style chemicals stick;color identity;select .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with BZ135 | PDB:5O4S | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [8] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9KW or .9KW2 or .9KW3 or :39KW;style chemicals stick;color identity;select .A:650 or .A:651 or .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:713 or .A:714; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoxalin-6-yl)-4-isobutylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with BZ097 | PDB:5OV8 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [8] |
| PDB Sequence |
QLTPFLILLR
638 KTLEQLQEKD648 TGNIFSEPVP658 LSEVPDYLDH668 IKKPMDFFTM678 KQNLEAYRYL 688 NFDDFEEDFN698 LIVSNCLKYN708 AKDTIFYRAA718 VRLREQGGAV728 LRQARRQAEK 738 M
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AXN or .AXN2 or .AXN3 or :3AXN;style chemicals stick;color identity;select .A:651 or .A:652 or .A:653 or .A:657 or .A:658 or .A:661 or .A:662 or .A:665 or .A:704 or .A:707 or .A:708 or .A:713 or .A:714; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[6-(4-chlorophenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human BRPF1 bromodomain in complex with BZ053 | PDB:5O5H | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [8] |
| PDB Sequence |
MQLTPFLILL
637 RKTLEQLQEK647 DTGNIFSEPV657 PLSEVPDYLD667 HIKKPMDFFT677 MKQNLEAYRY 687 LNFDDFEEDF697 NLIVSNCLKY707 NAKDTIFYRA717 AVRLREQGGA727 VLRQARRQAE 737 KM
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 1,3-Dimethyl Benzimidazolones Are Potent, Selective Inhibitors of the BRPF1 Bromodomain. ACS Med Chem Lett. 2014 Sep 10;5(11):1190-5. | ||||
| REF 2 | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe | ||||
| REF 3 | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J Med Chem. 2016 Jun 9;59(11):5555-61. | ||||
| REF 4 | Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe | ||||
| REF 5 | Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins. J Med Chem. 2017 Aug 24;60(16):6998-7011. | ||||
| REF 6 | Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a | ||||
| REF 7 | GSK6853, a Chemical Probe for Inhibition of the BRPF1 Bromodomain. ACS Med Chem Lett. 2016 May 9;7(6):552-7. | ||||
| REF 8 | Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem. 2018 Jul 15;155:337-352. | ||||
| REF 9 | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains. J Med Chem. 2016 Apr 14;59(7):3087-97. | ||||
| REF 10 | Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies. J Med Chem. 2017 Jan 26;60(2):668-680. | ||||
| REF 11 | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand | ||||
| REF 12 | Crystal structure of the human BRPF1 bromodomain in complex with 917 | ||||
| REF 13 | Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004 | ||||
| REF 14 | Crystal structure of the human BRPF1 bromodomain in complex with SEED20 | ||||
| REF 15 | Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010 | ||||
| REF 16 | Crystal structure of the human BRPF1 bromodomain in complex with SEED21 | ||||
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