Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T70977 | Target Info | |||
| Target Name | Glycogen synthase kinase-3 beta (GSK-3B) | ||||
| Synonyms | Serine/threonine-protein kinase GSK3B; GSK-3 beta | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GSK3B | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonotyrosine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 30819 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6V6L Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one | ||||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [1] |
| PDB Sequence |
VTTVVATPGQ
46 GPDRPQEVSY56 TDTKVIGNGS66 FGVVYQAKLC76 DSGELVAIKK86 VLQDKRELQI 100 MRKLDHCNIV110 RLRYFFYSSG120 EKKDEVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNYTEF291 KFPQIKAHPW 301 TKVFRPRTPP311 EAIALCSRLL321 EYTPTARLTP331 LEACAHSFFD341 ELRDPNVKLP 351 NGRDTPALFN361 FTTQELSSNP371 PLATILIPPH381 ARI
|
|||||
|
|
||||||
| PDB ID: 6B8J Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [2] |
| PDB Sequence |
VTTVVATPGQ
46 GPDRPQEVSY56 TDTKVIGNGS66 FGVVYQAKLC76 DSGELVAIKK86 VLQDKRFKNR 96 ELQIMRKLDH106 CNIVRLRYFF116 YSSGDEVYLN129 LVLDYVPETV139 YRVARHYSRA 149 KQTLPVIYVK159 LYMYQLFRSL169 AYIHSFGICH179 RDIKPQNLLL189 DPDTAVLKLC 199 DFGSAKQLVR209 GEPNVSICSR220 YYRAPELIFG230 ATDYTSSIDV240 WSAGCVLAEL 250 LLGQPIFPGD260 SGVDQLVEII270 KVLGTPTREQ280 IREMNPNYTE290 FKFPQIKAHP 300 WTKVFRPRTP310 PEAIALCSRL320 LEYTPTARLT330 PLEACAHSFF340 DELRDPNVKL 350 PNGRDTPALF360 NFTTQELSSN370 PPLATILIPP380 HARI
|
|||||
|
|
||||||
| PDB ID: 5T31 Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia | ||||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | Yes | [3] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSKDEVY127 LNLVLEYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNQIK297 AHPWTKVFRP 307 RTPPEAIALC317 SRLLEYTPTA327 RLTPLEACAH337 SFFDELRDPN347 VKLPNGRDTP 357 ALFNFTTQEL367 SSNPPLATIL377 IPPH
|
|||||
|
|
||||||
| PDB ID: 5OY4 GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [4] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 NYTEFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHARIQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4J71 Crystal Structure of GSK3b in complex with inhibitor 1R | ||||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [5] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 NYTEFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:227 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5KPK Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [3] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TEFKFPQIKA 298 HPWTKVFRPR308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV 348 KLPNGRDTPA358 LFNFTTQELS368 SNPPLATILI378 PPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5HLP X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937 | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [6] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSEVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPREQIR282 EMNPNFKFPQ295 IKAHPWTKVF 305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD345 PNVKLPNGRD 355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:227 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5KPL Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [3] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSKKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPPQ295 IKAHPWTKVF 305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD345 PNVKLPNGRD 355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5KPM Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | ||||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | No | [3] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGDEVYL128 NLVLDYVPET138 VYRVARHYSR 148 AKQTLPVIYV158 KLYMYQLFRS168 LAYIHSFGIC178 HRDIKPQNLL188 LDPDTAVLKL 198 CDFGSAKQLV208 RGEPNVSICS219 RYYRAPELIF229 GATDYTSSID239 VWSAGCVLAE 249 LLLGQPIFPG259 DSGVDQLVEI269 IKVLGTPTRE279 QIREMNPNYT289 EFKFPQIKAH 299 PWTKVFRPRT309 PPEAIALCSR319 LLEYTPTARL329 TPLEACAHSF339 FDELRDPNVK 349 LPNGRDTPAL359 FNFTTQELSS369 NPPLATILIP379 PHAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4J1R Crystal Structure of GSK3b in complex with inhibitor 15R | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [7] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSDEVYLN129 LVLDYVPETV139 YRVARHYSRA 149 KQTLPVIYVK159 LYMYQLFRSL169 AYIHSFGICH179 RDIKPQNLLL189 DPDTAVLKLC 199 DFGSAKQLVR209 GEPNVSICSR220 YYRAPELIFG230 ATDYTSSIDV240 WSAGCVLAEL 250 LLGQPIFPGD260 SGVDQLVEII270 KVLGTPTREQ280 IREMNPNYTE290 FKFPQIKAHP 300 WTKVFRPRTP310 PEAIALCSRL320 LEYTPTARLT330 PLEACAHSFF340 DELRDPNVKL 350 PNGRDTPALF360 NFTTQELSSN370 PPLATILIPP380 HAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:227 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5HLN X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021 | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [6] |
| PDB Sequence |
GSKVTTVVAT
43 PGQGPDRPQE53 VSYTDTKVIG63 NGSFGVVYQA73 KLCDSGELVA83 IKKVLQDKRF 93 KNRELQIMRK103 LDHCNIVRLR113 YFFYSSDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TEFKFPQIKA 298 HPWTKVFRPR308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV 348 KLPNGRDTPA358 LFNFTTQELS368 SNPPLATILI378 PPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3SAY Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142 | ||||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [8] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYFKFPQIK 297 AHPWTKVFRP307 RTPPEAIALC317 SRLLEYTPTA327 RLTPLEACAH337 SFFDELRDPN 347 VKLPNGRDTP357 ALFNFTTQEL367 SSNPPLATIL377 IPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4DIT Crystal Structure of GSK3beta in complex with a Imidazopyridine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [9] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSDEVYL128 NLVLDYVPET138 VYRVARHYSR 148 AKQTLPVIYV158 KLYMYQLFRS168 LAYIHSFGIC178 HRDIKPQNLL188 LDPDTAVLKL 198 CDFGSAKQLV208 RGEPNVSYYR223 APELIFGATD233 YTSSIDVWSA243 GCVLAELLLG 253 QPIFPGDSGV263 DQLVEIIKVL273 GTPTREQIRE283 MWTKVFRPRT309 PPEAIALCSR 319 LLEYTPTARL329 TPLEACAHSF339 FDELRDPNVK349 LPNGRDTPAL359 FNFTTQELSS 369 NPPLATILIP379 PHARIQAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:96 or .A:180 or .A:205 or .A:213 or .A:214 or .A:215 or .A:223; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3ZRK Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [10] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSKKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TEFKFPQIKA 298 HPWTKVFRPR308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV 348 KLPNGRDTPA358 LFNFTTQELS368 SNPPLATILI378 PPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3ZRL Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.48 Å | Mutation | No | [10] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSKKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TEFKFPQIKA 298 HPWTKVFRPR308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV 348 KLPNGRDTPA358 LFNFTTQELS368 SNPPLATILI378 PPHARIQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3ZRM Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [10] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSKKDEVY127 LNLVLDYVPE137 TVYRVARHYS 147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK 197 LCDFGSAKQL207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA 248 ELLLGQPIFP258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TEFKFPQIKA 298 HPWTKVFRPR308 TPPEAIALCS318 RLLEYTPTAR328 LTPLEACAHS338 FFDELRDPNV 348 KLPNGRDTPA358 LFNFTTQELS368 SNPPLATILI378 PPHAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5K5N Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [11] |
| PDB Sequence |
KVTTVVATPG
45 DRPQEVSYTD58 TKVIGNGSFG68 VVYQAKLCDS78 GELVAIKKVL88 QNRELQIMRK 103 LDHCNIVRLR113 YFFYSSDEVY127 LNLVLDYVPE137 TVYRVARHYS147 RAKQTLPVIY 157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL187 LLDPDTAVLK197 LCDFGSAKQL 207 VRGEPNVSIC218 SRYYRAPELI228 FGATDYTSSI238 DVWSAGCVLA248 ELLLGQPIFP 258 GDSGVDQLVE268 IIKVLGTPTR278 EQIREMNPNY288 TFPQIKAHPW301 TKVFRPRTPP 311 EAIALCSRLL321 EYTPTARLTP331 LEACAHSFFD341 ELRDPNVKLP351 NGRDTPALFN 361 FTTQELSSNP371 PLATILIPPH381 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:227 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6GN1 Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [12] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSEVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNYTEP294 QIKAHPWTKV 304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR344 DPNVKLPNGR 354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:214 or .B:215 or .B:217 or .B:218 or .B:220 or .B:223 or .B:261 or .B:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4AFJ 5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [13] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQFKNREL 98 QIMRKLDHCN108 IVRLRYFFYS118 SKKDEVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNYTEF291 KFPQIKAHPW 301 TKVFRPRTPP311 EAIALCSRLL321 EYTPTARLTP331 LEACAHSFFD341 ELRDPNVKLP 351 NGRDTPALFN361 FTTQELSSNP371 PLATILIPPH381 ARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7B6F GSK3-beta in complex with compound (S)-5c | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [14] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 NYTEFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6TCU Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [15] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:227 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3GB2 GSK3beta inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [16] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSEVYLN129 LVLDYVPETV139 YRVARHYSRA 149 KQTLPVIYVK159 LYMYQLFRSL169 AYIHSFGICH179 RDIKPQNLLL189 DPDTAVLKLC 199 DFGSAKQLVR209 GEPNVSICSR220 YYRAPELIFG230 ATDYTSSIDV240 WSAGCVLAEL 250 LLGQPIFPGD260 SGVDQLVEII270 KVLGTPTREQ280 IREMNPEFKF293 PQIKAHPWTK 303 VFRPRTPPEA313 IALCSRLLEY323 TPTARLTPLE333 ACAHSFFDEL343 RDPNVKLPNG 353 RDTPALFNFT363 TQELSSNPPL373 ATILIPPHAR383
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:227 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2OW3 Glycogen synthase kinase-3 beta in complex with bis-(indole)maleimide pyridinophane inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [17] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSKDEVYL128 NLVLDYVPET138 VYRVARHYSR 148 AKQTLPVIYV158 KLYMYQLFRS168 LAYIHSFGIC178 HRDIKPQNLL188 LDPDTAVLKL 198 CDFGSAKQLV208 RGEPNVSICS219 RYYRAPELIF229 GATDYTSSID239 VWSAGCVLAE 249 LLLGQPIFPG259 DSGVDQLVEI269 IKVLGTPTRE279 QIREMNPNYT289 EFKFPQIKAH 299 PWTKVFRPRT309 PPEAIALCSR319 LLEYTPTARL329 TPLEACAHSF339 FDELRDPNVK 349 LPNGRDTPAL359 FNFTTQELSS369 NPPLATILIP379 PHARIQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:219 or .A:220 or .A:223 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6Y9S Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16 | ||||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [18] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNFPQIKAHP 300 WTKVFRPRTP310 PEAIALCSRL320 LEYTPTARLT330 PLEACAHSFF340 DELRDPNVKL 350 PNGRDTPALF360 NFTTQELSSN370 PPLATILIPP380 HAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6Y9R Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | ||||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [18] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6HK3 Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [19] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:227 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1O9U GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH AXIN PEPTIDE | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [20] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQGKAFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPATVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFAFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:260; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3F7Z X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [21] |
| PDB Sequence |
LSKVTTVVAT
43 PGQGPDRPQE53 VSYTDTKVIG63 NGSFGVVYQA73 KLCDSGELVA83 IKKVLQDKRF 93 KNRELQIMRK103 LDHCNIVRLR113 YFFYSSGEEV126 YLNLVLDYVP136 ETVYRVARHY 146 SRAKQTLPVI156 YVKLYMYQLF166 RSLAYIHSFG176 ICHRDIKPQN186 LLLDPDTAVL 196 KLCDFGSAKQ206 LVRGEPNVSI217 CSRYYRAPEL227 IFGATDYTSS237 IDVWSAGCVL 247 AELLLGQPIF257 PGDSGVDQLV267 EIIKVLGTPT277 REQIREMNPN287 QIKAHPWTKV 304 FRPRTPPEAI314 ALCSRLLEYT324 PTARLTPLEA334 CAHSFFDELR344 DPNVKLPNGR 354 DTPALFNFTT364 QELSSNPPLA374 TILIPPHAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6HK4 Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [19] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSGEKKD124 EVYLNLVLDY134 VPETVYRVAR 144 HYSRAKQTLP154 VIYVKLYMYQ164 LFRSLAYIHS174 FGICHRDIKP184 QNLLLDPDTA 194 VLKLCDFGSA204 KQLVRGEPNV214 SICSRYYRAP225 ELIFGATDYT235 SSIDVWSAGC 245 VLAELLLGQP255 IFPGDSGVDQ265 LVEIIKVLGT275 PTREQIREMN285 PNYTEFKFPQ 295 IKAHPWTKVF305 RPRTPPEAIA315 LCSRLLEYTP325 TARLTPLEAC335 AHSFFDELRD 345 PNVKLPNGRD355 TPALFNFTTQ365 ELSSNPPLAT375 ILIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3ZDI Glycogen Synthase Kinase 3 Beta complexed with Axin Peptide and Inhibitor 7d | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [22] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 NYTEFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHARI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:227 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3F88 glycogen synthase Kinase 3beta inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [21] |
| PDB Sequence |
SKVTTVVATP
44 GQGPDRPQEV54 SYTDTKVIGN64 GSFGVVYQAK74 LCDSGELVAI84 KKVLQDKRFK 94 NRELQIMRKL104 DHCNIVRLRY114 FFYSSVYLNL130 VLDYVPETVY140 RVARHYSRAK 150 QTLPVIYVKL160 YMYQLFRSLA170 YIHSFGICHR180 DIKPQNLLLD190 PDTAVLKLCD 200 FGSAKQLVRG210 EPNVSICSRY221 YRAPELIFGA231 TDYTSSIDVW241 SAGCVLAELL 251 LGQPIFPGDS261 GVDQLVEIIK271 VLGTPTREQI281 REMNPNEFKF293 PQIKAHPWTK 303 VFRPRTPPEA313 IALCSRLLEY323 TPTARLTPLE333 ACAHSFFDEL343 RDPNVKLPNG 353 RDTPALFNFT363 TQELSSNPPL373 ATILIPPHAR383
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:227 or .A:261 or .A:262; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6HK7 Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [19] |
| PDB Sequence |
KVTTVVATPG
45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK85 KVLQDKRFKN 95 RELQIMRKLD105 HCNIVRLRYF115 FYSSGEKKDE125 VYLNLVLDYV135 PETVYRVARH 145 YSRAKQTLPV155 IYVKLYMYQL165 FRSLAYIHSF175 GICHRDIKPQ185 NLLLDPDTAV 195 LKLCDFGSAK205 QLVRGEPNVS215 ICSRYYRAPE226 LIFGATDYTS236 SIDVWSAGCV 246 LAELLLGQPI256 FPGDSGVDQL266 VEIIKVLGTP276 TREQIREMNP286 NYTEFKFPQI 296 KAHPWTKVFR306 PRTPPEAIAL316 CSRLLEYTPT326 ARLTPLEACA336 HSFFDELRDP 346 NVKLPNGRDT356 PALFNFTTQE366 LSSNPPLATI376 LIPPHA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:214 or .A:215 or .A:217 or .A:218 or .A:220 or .A:223 or .A:227 or .A:261 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and optimization of novel pyridines as highly potent and selective glycogen synthase kinase 3 inhibitors. Bioorg Med Chem Lett. 2020 Feb 15;30(4):126930. | ||||
| REF 2 | Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3. J Med Chem. 2017 Oct 26;60(20):8482-8514. | ||||
| REF 3 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med. 2018 Mar 7;10(431):eaam8460. | ||||
| REF 4 | From PIM1 to PI3KDelta via GSK3beta: Target Hopping through the Kinome. ACS Med Chem Lett. 2017 Sep 7;8(10):1093-1098. | ||||
| REF 5 | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor | ||||
| REF 6 | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. ACS Chem Biol. 2016 Jul 15;11(7):1952-63. | ||||
| REF 7 | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor | ||||
| REF 8 | Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142 | ||||
| REF 9 | Crystal Structure of GSK3beta in complex with a Imidazolopyridine inhibitor | ||||
| REF 10 | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3 inhibitors. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4823-7. | ||||
| REF 11 | Discovery of a Highly Selective Glycogen Synthase Kinase-3 Inhibitor (PF-04802367) That Modulates Tau Phosphorylation in the Brain: Translation for PET Neuroimaging. Angew Chem Int Ed Engl. 2016 Aug 8;55(33):9601-5. | ||||
| REF 12 | An Unusual Intramolecular Halogen Bond Guides Conformational Selection. Angew Chem Int Ed Engl. 2018 Jul 26;57(31):9970-9975. | ||||
| REF 13 | 5-Aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors. Bioorg Med Chem Lett. 2012 Mar 1;22(5):1989-94. | ||||
| REF 14 | GSK3-beta in complex with compound (S)-5c | ||||
| REF 15 | Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue and In Vivo Activity in a Mood Disorder Model. ACS Med Chem Lett. 2020 Mar 24;11(5):825-831. | ||||
| REF 16 | 2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability. J Med Chem. 2009 Oct 22;52(20):6270-86. | ||||
| REF 17 | Novel bis(indolyl)maleimide pyridinophanes that are potent, selective inhibitors of glycogen synthase kinase-3. Bioorg Med Chem Lett. 2007 May 15;17(10):2863-8. | ||||
| REF 18 | Discovery of Novel Imidazopyridine GSK-3beta Inhibitors Supported by Computational Approaches. Molecules. 2020 May 5;25(9):2163. | ||||
| REF 19 | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput. 2019 Aug 13;15(8):4646-4659. | ||||
| REF 20 | Structural basis for recruitment of glycogen synthase kinase 3beta to the axin-APC scaffold complex. EMBO J. 2003 Feb 3;22(3):494-501. | ||||
| REF 21 | Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta. Bioorg Med Chem. 2009 Mar 1;17(5):2017-29. | ||||
| REF 22 | 3,6-Diamino-4-(2-halophenyl)-2-benzoylthieno[2,3-b]pyridine-5-carbonitriles are selective inhibitors of Plasmodium falciparum glycogen synthase kinase-3. J Med Chem. 2013 Jan 10;56(1):264-75. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.