Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98293 | Target Info | |||
| Target Name | PAK-4 protein kinase (PAK4) | ||||
| Synonyms | p21-activated kinase 4; Serine/threonine-protein kinase PAK 4; PAK-4; KIAA1142 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PAK4 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: PF-3758309 | Ligand Info | |||||
| Structure Description | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 | PDB:2X4Z | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
MSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 T
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ILE327
3.675
GLY328
3.639
GLU329
4.216
GLY330
3.481
SER331
3.825
THR332
3.126
GLY333
3.514
ILE334
4.319
VAL335
3.408
ALA348
3.506
LYS350
3.612
MET352
4.894
VAL379
3.926
|
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| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide S peptide substrate | PDB:4JDI | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [2] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
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|
|
ILE327
3.562
GLY328
3.717
GLU329
3.991
GLY330
3.391
SER331
2.764
THR332
2.604
GLY333
3.370
VAL335
3.391
ALA348
3.674
LYS350
2.884
GLU366
4.454
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Fasudil | Ligand Info | |||||
| Structure Description | PAK4 kinase domain in complex with fasudil | PDB:5VEF | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [3] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
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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 .M77 or .M772 or .M773 or :3M77;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:331 or .A:333 or .A:334 or .A:335 or .A:337 or .A:348 or .A:350 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:401 or .A:402 or .A:404 or .A:444 or .A:445 or .A:447 or .A:457 or .A:458; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
2.869
GLY328
2.607
GLU329
2.701
GLY330
2.599
SER331
4.435
GLY333
4.517
ILE334
4.960
VAL335
2.654
ILE337
4.994
ALA348
3.178
LYS350
3.498
VAL379
3.534
MET395
2.917
|
|||||
| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | PAK4 kinase domain in complex with fasudil | PDB:5VEF | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [3] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; 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: Staurosporine | Ligand Info | |||||
| Structure Description | PAK4 kinase domain in complex with Staurosporine | PDB:5VED | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [3] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
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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 .STU or .STU2 or .STU3 or :3STU;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:335 or .A:348 or .A:350 or .A:366 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:401 or .A:402 or .A:444 or .A:445 or .A:447 or .A:457 or .A:458; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
3.603
GLY328
3.514
GLU329
3.769
GLY330
3.830
VAL335
3.515
ALA348
3.599
LYS350
3.219
GLU366
4.572
VAL379
3.961
MET395
3.565
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| Ligand Name: 6-(2,4-Dichlorophenyl)-8-ethyl-2-[[3-fluoro-4-(1-piperazinyl)phenyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one | Ligand Info | |||||
| Structure Description | PAK4 kinase domain in complex with FRAX486 | PDB:5VEE | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [3] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
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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 .981 or .9812 or .9813 or :3981;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:335 or .A:348 or .A:349 or .A:350 or .A:352 or .A:366 or .A:379 or .A:381 or .A:393 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:400 or .A:401 or .A:402 or .A:405 or .A:447 or .A:457 or .A:458; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
3.746
GLY328
4.615
GLU329
4.928
VAL335
3.544
ALA348
3.395
VAL349
3.643
LYS350
3.375
MET352
4.735
GLU366
3.443
VAL379
4.750
MET381
4.897
VAL393
3.873
|
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| Ligand Name: N2-[(1R,2S)-2-Aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH CGP74514A | PDB:2CDZ | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
VSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRGKLVAVK350 KMDLRKQQRR 360 ELLFNEVVIM370 RDYQHENVVE380 MYNSYLVGDE390 LWVVMEFLEG400 GALTDIVTHT 410 RMNEEQIAAV420 CLAVLQALSV430 LHAQGVIHRD440 IKSDSILLTH450 DGRVKLSDFG 460 FCAQVSKEVP470 RRKLVGTPYW481 MAPELISRLP491 YGPEVDIWSL501 GIMVIEMVDG 511 EPPYFNEPPL521 KAMKMIRDNL531 PPRLKNLHKV541 SPSLKGFLDR551 LLVRDPAQRA 561 TAAELLKHPF571 LAKAGPPASI581 VPLMRQNRT
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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 .23D or .23D2 or .23D3 or :323D;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:335 or .A:348 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:400 or .A:401 or .A:402 or .A:444 or .A:447 or .A:457 or .A:458; 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-methyl-3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine-4-carboxamide | Ligand Info | |||||
| Structure Description | PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | PDB:8AHG | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | Yes | [5] |
| PDB Sequence |
SSHEQFRAAL
308 QAVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
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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 .M4I or .M4I2 or .M4I3 or :3M4I;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:335 or .A:337 or .A:348 or .A:350 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:401 or .A:402 or .A:444 or .A:447 or .A:457 or .A:458; 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-cyano-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | PDB:8AHH | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | Yes | [5] |
| PDB Sequence |
SSHEQFRAAL
308 QAVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
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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 .M4X or .M4X2 or .M4X3 or :3M4X;style chemicals stick;color identity;select .A:327 or .A:328 or .A:335 or .A:348 or .A:350 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:401 or .A:402 or .A:447 or .A:457 or .A:458; 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-methyl-1,3-benzothiazole-6-carboxamide | Ligand Info | |||||
| Structure Description | PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | PDB:8AHI | ||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | Yes | [5] |
| PDB Sequence |
SHEQFRAALQ
309 AVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNRT590 R
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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 .M56 or .M562 or .M563 or :3M56;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:335 or .A:348 or .A:350 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:401 or .A:402 or .A:447 or .A:457; 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-[6,6-Dimethyl-5-[(2s)-4-Methyl-2-(Phenylmethyl)piperazin-1-Yl]carbonyl-2,4-Dihydropyrrolo[3,4-C]pyrazol-3-Yl]-3-Phenoxy-Benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide | PDB:4APP | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [6] |
| PDB Sequence |
MSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
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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 .N53 or .N532 or .N533 or :3N53;style chemicals stick;color identity;select .A:327 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:334 or .A:335 or .A:348 or .A:350 or .A:351 or .A:352 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:400 or .A:401 or .A:402 or .A:405 or .A:444 or .A:447 or .A:457 or .A:458 or .A:586; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE327
4.377
GLU329
4.090
GLY330
3.430
SER331
3.829
THR332
3.758
GLY333
3.425
ILE334
3.687
VAL335
3.136
ALA348
3.494
LYS350
3.633
LYS351
4.414
MET352
4.152
VAL379
3.911
MET395
3.740
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|||||
| Ligand Name: N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine | Ligand Info | |||||
| Structure Description | Structure of p21-activated kinase 4 with a novel inhibitor KY-04031 | PDB:4NJD | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [7] |
| PDB Sequence |
MSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
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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 .NJD or .NJD2 or .NJD3 or :3NJD;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:335 or .A:348 or .A:350 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:400 or .A:401 or .A:402 or .A:447 or .A:457 or .A:458; 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-Bromo-2-[1-Methyl-3-(Propan-2-Yl)-1h-Pyrazol-4-Yl]-1h-Imidazo[4,5-B]pyridine | Ligand Info | |||||
| Structure Description | Structure of PAK4 | PDB:5I0B | ||||
| Method | X-ray diffraction | Resolution | 3.09 Å | Mutation | No | [8] |
| PDB Sequence |
HEQFRAALQL
310 VVDPGDPRSY320 LDNFIKIGEG330 STGIVCIATV340 RSSGKLVAVK350 KMDLRKQQRR 360 ELLFNEVVIM370 RDYQHENVVE380 MYNSYLVGDE390 LWVVMEFLEG400 GALTDIVTHT 410 RMNEEQIAAV420 CLAVLQALSV430 LHAQGVIHRD440 IKSDSILLTH450 DGRVKLSDFG 460 FCAQVSKEVP470 RRKLVGTPYW481 MAPELISRLP491 YGPEVDIWSL501 GIMVIEMVDG 511 EPPYFNEPPL521 KAMKMIRDNL531 PPRLKNLHKV541 SPSLKGFLDR551 LLVRDPAQRA 561 TAAELLKHPF571 LAKAGPPASI581 VPLMRQNR
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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 .67U or .67U2 or .67U3 or :367U;style chemicals stick;color identity;select .A:327 or .A:335 or .A:348 or .A:350 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:400 or .A:401 or .A:402 or .A:447 or .A:457; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3Z)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[1H-imidazol-2-yl(phenyl)methylidene]-2-oxo-1H-indole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of PAK4 in complex with inhibitor CZg353 | PDB:5ZJW | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [9] |
| PDB Sequence |
SSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
|
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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 .9EO or .9EO2 or .9EO3 or :39EO;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:332 or .A:333 or .A:334 or .A:335 or .A:348 or .A:350 or .A:352 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:400 or .A:401 or .A:402 or .A:444 or .A:445 or .A:447 or .A:457 or .A:458 or .A:459; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
3.802
GLY328
3.670
GLU329
3.748
GLY330
3.537
THR332
2.973
GLY333
3.683
ILE334
3.722
VAL335
3.228
ALA348
3.510
LYS350
3.259
MET352
3.878
VAL379
3.998
MET395
3.746
|
|||||
| Ligand Name: [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone | Ligand Info | |||||
| Structure Description | Crystal Structure of PAK4 in complex with inhibitor CZH216 | PDB:5XVA | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [10] |
| PDB Sequence |
SSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8FU or .8FU2 or .8FU3 or :38FU;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:335 or .A:348 or .A:350 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:400 or .A:401 or .A:402 or .A:405 or .A:444 or .A:445 or .A:447 or .A:457 or .A:458; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
3.697
GLY328
3.031
GLU329
3.671
GLY330
3.846
VAL335
3.396
ALA348
3.451
LYS350
4.617
VAL379
4.520
MET395
3.615
GLU396
2.827
PHE397
3.497
|
|||||
| Ligand Name: [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone | Ligand Info | |||||
| Structure Description | Crystal Structure of PAK4 in complex with inhibitor CZH226 | PDB:5XVG | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [10] |
| PDB Sequence |
SSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8FX or .8FX2 or .8FX3 or :38FX;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:335 or .A:348 or .A:349 or .A:350 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:400 or .A:401 or .A:402 or .A:405 or .A:444 or .A:445 or .A:447 or .A:457 or .A:458; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
3.652
GLY328
3.056
GLU329
3.725
GLY330
3.733
VAL335
3.467
ALA348
3.478
VAL349
4.972
LYS350
3.657
VAL379
4.301
MET395
3.580
GLU396
2.608
PHE397
3.439
|
|||||
| Ligand Name: 4-[1-(4-Amino-1,3,5-Triazin-2-Yl)-2-(Ethylamino)-1h-Benzimidazol-6-Yl]-2-Methylbut-3-Yn-2-Ol | Ligand Info | |||||
| Structure Description | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | PDB:4O0Y | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [11] |
| PDB Sequence |
GSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2OO or .2OO2 or .2OO3 or :32OO;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:335 or .A:348 or .A:350 or .A:366 or .A:379 or .A:381 or .A:393 or .A:395 or .A:396 or .A:397 or .A:398 or .A:401 or .A:402 or .A:447 or .A:457 or .A:458 or .A:459 or .A:460; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
3.390
GLY328
4.195
GLU329
4.615
GLY330
3.931
VAL335
3.492
ALA348
3.410
LYS350
4.070
GLU366
2.620
VAL379
4.040
MET381
3.995
VAL393
3.862
|
|||||
| Ligand Name: 1-{[1-(4-Amino-1,3,5-Triazin-2-Yl)-2-Methyl-1h-Benzimidazol-6-Yl]ethynyl}cyclohexanol | Ligand Info | |||||
| Structure Description | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | PDB:4O0X | ||||
| Method | X-ray diffraction | Resolution | 2.48 Å | Mutation | No | [11] |
| PDB Sequence |
GSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2OQ or .2OQ2 or .2OQ3 or :32OQ;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:335 or .A:348 or .A:350 or .A:366 or .A:370 or .A:378 or .A:379 or .A:381 or .A:393 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:401 or .A:447 or .A:457 or .A:458 or .A:459 or .A:460; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
3.776
GLY328
4.282
GLU329
4.287
GLY330
3.964
VAL335
3.397
ALA348
3.538
LYS350
4.276
GLU366
2.694
MET370
4.306
VAL378
4.970
VAL379
3.704
MET381
3.739
|
|||||
| Ligand Name: 1-(2-Azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of PAK4 in complex with inhibitor 41 | PDB:7CMB | ||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | No | [12] |
| PDB Sequence |
SSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G5X or .G5X2 or .G5X3 or :3G5X;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:335 or .A:348 or .A:350 or .A:366 or .A:370 or .A:378 or .A:379 or .A:380 or .A:381 or .A:393 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:401 or .A:447 or .A:457 or .A:458 or .A:459 or .A:460; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
4.082
GLY328
3.437
GLU329
3.475
VAL335
3.605
ALA348
3.490
LYS350
3.994
GLU366
2.483
MET370
3.887
VAL378
4.871
VAL379
3.249
GLU380
4.536
MET381
3.636
|
|||||
| Ligand Name: 1-({1-(2-Aminopyrimidin-4-Yl)-2-[(2-Methoxyethyl)amino]-1h-Benzimidazol-6-Yl}ethynyl)cyclohexanol | Ligand Info | |||||
| Structure Description | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | PDB:4O0V | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [11] |
| PDB Sequence |
GSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2OL or .2OL2 or .2OL3 or :32OL;style chemicals stick;color identity;select .A:327 or .A:328 or .A:335 or .A:348 or .A:350 or .A:366 or .A:370 or .A:378 or .A:379 or .A:380 or .A:381 or .A:393 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:401 or .A:402 or .A:447 or .A:456 or .A:457 or .A:458 or .A:459 or .A:460; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
3.462
GLY328
3.870
VAL335
3.686
ALA348
3.634
LYS350
3.448
GLU366
2.751
MET370
4.295
VAL378
4.880
VAL379
3.485
GLU380
4.826
MET381
3.867
VAL393
4.099
MET395
3.791
|
|||||
| Ligand Name: N~2~-[(7-Chloro-1h-Benzimidazol-6-Yl)methyl]-N~4~-(5-Cyclopropyl-1h-Pyrazol-3-Yl)pyrimidine-2,4-Diamine | Ligand Info | |||||
| Structure Description | Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29 | PDB:5BMS | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [13] |
| PDB Sequence |
GSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4T6 or .4T62 or .4T63 or :34T6;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:335 or .A:348 or .A:350 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:401 or .A:402 or .A:444 or .A:445 or .A:447 or .A:457 or .A:458; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone | Ligand Info | |||||
| Structure Description | Crystal Structure of PAK4 in complex with inhibitor 55 | PDB:7CP4 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [14] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNRT590 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GCC or .GCC2 or .GCC3 or :3GCC;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:335 or .A:348 or .A:350 or .A:366 or .A:370 or .A:378 or .A:379 or .A:380 or .A:381 or .A:393 or .A:395 or .A:396 or .A:397 or .A:398 or .A:442 or .A:444 or .A:447 or .A:456 or .A:457 or .A:458 or .A:459 or .A:460; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
4.126
GLY328
3.373
GLU329
3.831
GLY330
4.571
VAL335
3.454
ALA348
3.361
LYS350
4.081
GLU366
2.327
MET370
4.094
VAL378
4.906
VAL379
3.491
GLU380
4.514
MET381
3.521
|
|||||
| Ligand Name: [(3R)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone | Ligand Info | |||||
| Structure Description | Crystal Structure of PAK4 in complex with inhibitor 47 | PDB:7CP3 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [15] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GC6 or .GC62 or .GC63 or :3GC6;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:331 or .A:335 or .A:348 or .A:350 or .A:366 or .A:370 or .A:378 or .A:379 or .A:380 or .A:381 or .A:393 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:402 or .A:404 or .A:444 or .A:447 or .A:456 or .A:457 or .A:458 or .A:459 or .A:460; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE327
3.986
GLY328
3.503
GLU329
3.667
GLY330
3.428
SER331
4.553
VAL335
3.224
ALA348
3.570
LYS350
4.167
GLU366
3.136
MET370
4.303
VAL378
4.967
VAL379
3.684
GLU380
4.913
MET381
3.689
VAL393
4.192
|
|||||
| Ligand Name: 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of PAK4 in complex with inhibitor CZH062 | PDB:5XVF | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [10] |
| PDB Sequence |
SSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8FR or .8FR2 or .8FR3 or :38FR;style chemicals stick;color identity;select .A:327 or .A:328 or .A:329 or .A:330 or .A:335 or .A:348 or .A:379 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:400 or .A:401 or .A:402 or .A:444 or .A:447 or .A:457 or .A:458; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Small-molecule p21-activated kinase inhibitor PF-3758309 is a potent inhibitor of oncogenic signaling and tumor growth. Proc Natl Acad Sci U S A. 2010 May 18;107(20):9446-51. | ||||
| REF 2 | Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity. Mol Cell. 2014 Jan 9;53(1):140-7. | ||||
| REF 3 | PAK4 crystal structures suggest unusual kinase conformational movements. Biochim Biophys Acta Proteins Proteom. 2018 Feb;1866(2):356-365. | ||||
| REF 4 | Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs. Structure. 2007 Feb;15(2):201-13. | ||||
| REF 5 | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. RSC Med Chem. 2022 Aug 26;13(11):1341-1349. | ||||
| REF 6 | Discovery of pyrroloaminopyrazoles as novel PAK inhibitors. J Med Chem. 2012 May 24;55(10):4728-39. | ||||
| REF 7 | Discovery and the structural basis of a novel p21-activated kinase 4 inhibitor. Cancer Lett. 2014 Jul 10;349(1):45-50. | ||||
| REF 8 | The discovery and the structural basis of an imidazo[4,5-b]pyridine-based p21-activated kinase 4 inhibitor. Bioorg Med Chem Lett. 2016 Jun 1;26(11):2580-3. | ||||
| REF 9 | Crystal Structure of PAK4 in complex with inhibitor CZg353 | ||||
| REF 10 | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J Med Chem. 2018 Jan 11;61(1):265-285. | ||||
| REF 11 | Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors. J Med Chem. 2014 Feb 13;57(3):1033-45. | ||||
| REF 12 | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors | ||||
| REF 13 | Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors. J Med Chem. 2015 Jun 25;58(12):5121-36. | ||||
| REF 14 | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors | ||||
| REF 15 | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors | ||||
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