6O2Y
| Crystal structure of IDH1 R132H mutant in complex with compound 24 | 分子名称: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, BETA-MERCAPTOETHANOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | 著者 | Toms, A.V, Lin, J. | 登録日 | 2019-02-25 | 公開日 | 2019-06-26 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors. J.Med.Chem., 62, 2019
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8OM8
| X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure A) | 分子名称: | 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4, ACETATE ION, CHLORIDE ION, ... | 著者 | Paolillo, M, Ferraro, G, Merlino, A. | 登録日 | 2023-03-31 | 公開日 | 2023-06-07 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs. Inorg.Chem., 62, 2023
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8ONV
| KRAS-G13D in complex with BI-2493 | 分子名称: | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Boettcher, J, Herdeis, L. | 登録日 | 2023-04-04 | 公開日 | 2023-06-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8OMT
| X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure C) | 分子名称: | 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, ... | 著者 | Paolillo, M, Merlino, A, Ferraro, G. | 登録日 | 2023-03-31 | 公開日 | 2023-06-07 | 実験手法 | X-RAY DIFFRACTION (1.097 Å) | 主引用文献 | Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs. Inorg.Chem., 62, 2023
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8OMS
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8E1A
| Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor | 著者 | Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A. | 登録日 | 2022-08-10 | 公開日 | 2022-09-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors. Cells, 11, 2022
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1ZXI
| Reconstituted CO dehydrogenase from Oligotropha carboxidovorans | 分子名称: | COPPER (II) ION, CU(I)-S-MO(VI)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, ... | 著者 | Resch, M, Dobbek, H, Meyer, O. | 登録日 | 2005-06-08 | 公開日 | 2005-10-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural and functional reconstruction in situ of the [CuSMoO(2)] active site of carbon monoxide dehydrogenase from the carbon monoxide oxidizing eubacterium Oligotropha carboxidovorans J.Biol.Inorg.Chem., 10, 2005
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3HMW
| Crystal structure of ustekinumab FAB | 分子名称: | CADMIUM ION, USTEKINUMAB FAB HEAVY CHAIN, USTEKINUMAB FAB LIGHT CHAIN | 著者 | Luo, J. | 登録日 | 2009-05-29 | 公開日 | 2010-06-09 | 最終更新日 | 2015-07-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural basis for the dual recognition of IL-12 and IL-23 by ustekinumab. J.Mol.Biol., 402, 2010
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4UAS
| Crystal structure of CbbY from Rhodobacter sphaeroides in complex with phosphate | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M. | 登録日 | 2014-08-11 | 公開日 | 2014-12-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Degradation of potent Rubisco inhibitor by selective sugar phosphatase. Nat.Plants, 1, 2015
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6O5F
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4TVG
| HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment AK-2097 in the outside/top of flap | 分子名称: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, GLYCEROL, HIV Protease, ... | 著者 | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | 登録日 | 2014-06-26 | 公開日 | 2014-09-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease. J.Phys.Chem.B, 119, 2015
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2Y8A
| VIM-7 with Oxidised. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases | 分子名称: | MAGNESIUM ION, METALLO-B-LACTAMASE, UNKNOWN ATOM OR ION, ... | 著者 | Saradhi, P, Leiros, H.-K.S, Ahmad, R, Spencer, J, Leiros, I, Walsh, T.R, Sundsfjord, A, Samuelsen, O. | 登録日 | 2011-02-03 | 公開日 | 2011-06-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases J.Mol.Biol., 411, 2011
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1ZYJ
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2YK2
| Tricyclic series of Hsp90 inhibitors | 分子名称: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-25 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YK9
| Tricyclic series of Hsp90 inhibitors | 分子名称: | 4-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)FLUOREN-9-ONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-26 | 公開日 | 2011-10-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YKB
| Tricyclic series of Hsp90 inhibitors | 分子名称: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-SUCCINAMIDE | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-26 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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3HQU
| PHD2:Fe:UN9:partial HIF1-alpha substrate complex | 分子名称: | Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ... | 著者 | Chowdhury, R, McDonough, M.A, Schofield, C.J. | 登録日 | 2009-06-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases Structure, 17, 2009
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2YKC
| Tricyclic series of Hsp90 inhibitors | 分子名称: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL-ISONICOTINAMIDE | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-26 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YKE
| Tricyclic series of Hsp90 inhibitors | 分子名称: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-26 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YKI
| Tricyclic series of Hsp90 inhibitors | 分子名称: | 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-27 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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3HYB
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8OW2
| Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938 | 分子名称: | 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | 登録日 | 2023-04-26 | 公開日 | 2023-05-24 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration. Nature, 618, 2023
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1ZVX
| Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (R-enantiomer) | 分子名称: | (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, CALCIUM ION, Neutrophil collagenase, ... | 著者 | Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F. | 登録日 | 2005-06-03 | 公開日 | 2006-05-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates. J.Med.Chem., 49, 2006
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4DO6
| Pharmacological chaperones for human alpha-N-acetylgalactosaminidase | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminidase, ... | 著者 | Clark, N.E, Garman, S.C. | 登録日 | 2012-02-09 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pharmacological chaperones for human alpha-N-acetylgalactosaminidase Proc.Natl.Acad.Sci.USA, 109, 2012
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2H88
| Avian Mitochondrial Respiratory Complex II at 1.8 Angstrom Resolution | 分子名称: | AZIDE ION, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | 著者 | Huang, L.S, Shen, J.T, Wang, A.C, Berry, E.A. | 登録日 | 2006-06-06 | 公開日 | 2006-06-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Crystallographic studies of the binding of ligands to the dicarboxylate site of Complex II, and the identity of the ligand in the Biochim.Biophys.Acta, 1757
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