1UU8
| Structure of human PDK1 kinase domain in complex with BIM-1 | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | 著者 | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | 登録日 | 2003-12-16 | 公開日 | 2004-03-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
|
|
1UVR
| Structure of human PDK1 kinase domain in complex with BIM-8 | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | 著者 | Komander, D, Garrido-Franco, M, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | 登録日 | 2004-01-22 | 公開日 | 2004-03-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
|
|
1UU7
| Structure of human PDK1 kinase domain in complex with BIM-2 | 分子名称: | 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | 著者 | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | 登録日 | 2003-12-16 | 公開日 | 2004-03-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
|
|
1UU3
| Structure of human PDK1 kinase domain in complex with LY333531 | 分子名称: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | 著者 | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | 登録日 | 2003-12-15 | 公開日 | 2004-03-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
|
|
1UU9
| Structure of human PDK1 kinase domain in complex with BIM-3 | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | 著者 | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | 登録日 | 2003-12-16 | 公開日 | 2004-03-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
|
|
5OF0
| X-ray structure of human glutamate carboxypeptidase II (GCPII), the E424M inactive mutant, in complex with a inhibitor CFBzOG | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Novakova, Z, Motlova, L, Barinka, C. | 登録日 | 2017-07-10 | 公開日 | 2018-08-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
|
|
3NJ8
| |
4B5D
| Capitella teleta AChBP in complex with psychonicline (3-((2(S)- Azetidinyl)methoxy)-5-((1S,2R)-2-(2-hydroxyethyl)cyclopropyl)pyridine) | 分子名称: | 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Nys, M, Ulens, C. | 登録日 | 2012-08-03 | 公開日 | 2012-09-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | Insights Into the Structural Determinants Required for High- Affinity Binding of Chiral Cyclopropane-Containing Ligands to Alpha4Beta2-Nicotinic Acetylcholine Receptors: An Integrated Approach to Behaviorally Active Nicotinic Ligands. J.Med.Chem., 55, 2012
|
|
6ZW1
| X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101 | 分子名称: | 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ... | 著者 | Barinka, C, Motlova, L, Ustinova, K. | 登録日 | 2020-07-27 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model. J.Med.Chem., 64, 2021
|
|
6H7Z
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2018-07-31 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
|
|
6MR5
| |
1H22
| Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution | 分子名称: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | 著者 | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | 登録日 | 2002-07-30 | 公開日 | 2002-12-23 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity J.Am.Chem.Soc., 125, 2003
|
|
1H23
| Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution | 分子名称: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | 著者 | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L. | 登録日 | 2002-07-30 | 公開日 | 2002-12-23 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity J.Am.Chem.Soc., 125, 2003
|
|
2QIO
| |
6R0K
| X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS208 | 分子名称: | 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide, Histone deacetylase 6, POTASSIUM ION, ... | 著者 | Barinka, C, Ustinova, K, Motlova, L, Pavlicek, J. | 登録日 | 2019-03-13 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models. J.Med.Chem., 62, 2019
|
|
6TCY
| |
6THV
| X-ray structure of the Danio rerio histone deacetylase 6 (HDAC6; catalytic domain 2) in complex with Tubastatin A | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Barinka, C, Motlova, L, Svoboda, M. | 登録日 | 2019-11-21 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor. Acs Med.Chem.Lett., 11, 2020
|
|
1VOT
| ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A | 分子名称: | ACETYLCHOLINESTERASE, Huperzine A | 著者 | Raves, M.L, Harel, M, Silman, I, Sussman, J.L. | 登録日 | 1996-06-23 | 公開日 | 1997-06-16 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A. Nat.Struct.Biol., 4, 1997
|
|
2ACE
| NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA | 分子名称: | ACETYLCHOLINE, ACETYLCHOLINESTERASE | 著者 | Harel, M, Raves, M.L, Silman, I, Sussman, J.L. | 登録日 | 1996-06-23 | 公開日 | 1996-11-08 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A. Nat.Struct.Biol., 4, 1997
|
|
6H7Y
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 1-79-1 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2018-07-31 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
|
|
6HKZ
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-49-1 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2018-09-09 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
|
|
6HKJ
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-19-1 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2018-09-06 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
|
|
3D7G
| |
3D7F
| |
3D7H
| |