1KYY
| Lumazine Synthase from S.pombe bound to nitropyrimidinedione | 分子名称: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | 著者 | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | 登録日 | 2002-02-06 | 公開日 | 2002-07-24 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase. J.Mol.Biol., 318, 2002
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7S8Z
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7S9G
| Room-temperature Human Hsp90a-NTD bound to BIIB021 | 分子名称: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Stachowski, T.R, Vanarotti, M, Fischer, M. | 登録日 | 2021-09-21 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9F
| Cryogenic Human Hsp90a-NTD bound to BIIB021 | 分子名称: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | 登録日 | 2021-09-20 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S95
| Room-temperature Human Hsp90a-NTD bound to adenine | 分子名称: | ADENINE, Heat shock protein HSP 90-alpha | 著者 | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | 登録日 | 2021-09-20 | 公開日 | 2022-08-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9I
| Room-temperature Human Hsp90a-NTD bound to EC144 | 分子名称: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha | 著者 | Stachowski, T.R, Vanarotti, M, Fischer, M. | 登録日 | 2021-09-21 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9H
| Cryogenic Human Hsp90a-NTD bound to EC144 | 分子名称: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | 登録日 | 2021-09-21 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S8Y
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7S98
| Cryogenic Human Hsp90a-NTD bound to N6M | 分子名称: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | 著者 | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | 登録日 | 2021-09-20 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S90
| Cryogenic Human Hsp90a-NTD bound to adenine | 分子名称: | ADENINE, Heat shock protein HSP 90-alpha | 著者 | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | 登録日 | 2021-09-20 | 公開日 | 2022-08-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S99
| Room-temperature Human Hsp90a-NTD bound to N6M | 分子名称: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | 著者 | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | 登録日 | 2021-09-20 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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1NQW
| Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 5-(6-D-ribitylamino-2,4(1H,3H)pyrimidinedione-5-yl)-1-pentyl-phosphonic acid | 分子名称: | 5-(6-D-RIBITYLAMINO-2,4(1H,3H)PYRIMIDINEDIONE-5-YL) PENTYL-1-PHOSPHONIC ACID, 6,7-dimethyl-8-ribityllumazine synthase | 著者 | Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R. | 登録日 | 2003-01-23 | 公開日 | 2004-01-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus. J.Mol.Biol., 328, 2003
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1NQX
| Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 3-(7-hydroxy-8-ribityllumazine-6-yl)propionic acid | 分子名称: | 3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL) PROPIONIC ACID, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | 著者 | Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R. | 登録日 | 2003-01-23 | 公開日 | 2004-01-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus. J.Mol.Biol., 328, 2003
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2C9D
| Lumazine Synthase from Mycobacterium tuberculosis Bound to 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)HEXANE 1-PHOSPHATE | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, ... | 著者 | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | 登録日 | 2005-12-09 | 公開日 | 2006-12-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. FEBS J., 273, 2006
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1NQU
| Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 6,7-dioxo-5H-8-ribitylaminolumazine | 分子名称: | 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | 著者 | Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R. | 登録日 | 2003-01-23 | 公開日 | 2004-01-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus. J.Mol.Biol., 328, 2003
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1KYV
| Lumazine Synthase from S.pombe bound to riboflavin | 分子名称: | 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION, RIBOFLAVIN | 著者 | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | 登録日 | 2002-02-06 | 公開日 | 2002-07-24 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase. J.Mol.Biol., 318, 2002
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2C94
| LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 difluoropentane-1- PHOSPHATE | 分子名称: | 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 DIFLUOROPENTANE-1-PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, POTASSIUM ION | 著者 | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | 登録日 | 2005-12-09 | 公開日 | 2006-12-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. FEBS J., 273, 2006
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2C92
| LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) PENTANE 1 PHOSPHATE | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE, ... | 著者 | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | 登録日 | 2005-12-09 | 公開日 | 2006-12-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. FEBS J., 273, 2006
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1KZL
| Riboflavin Synthase from S.pombe bound to Carboxyethyllumazine | 分子名称: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, MERCURY (II) ION, Riboflavin Synthase | 著者 | Gerhardt, S, Schott, A.K, Kairies, N, Cushman, M, Illarionov, B, Eisenreich, W, Bacher, A, Huber, R, Steinbacher, S, Fischer, M. | 登録日 | 2002-02-07 | 公開日 | 2002-11-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Studies on the Reaction Mechanism of Riboflavin Synthase; X-Ray Crystal Structure of a Complex with 6-Carboxyethyl-7-Oxo-8-Ribityllumazine STRUCTURE, 10, 2002
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2C97
| LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 4-(6- chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)butyl phosphate | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, ... | 著者 | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | 登録日 | 2005-12-09 | 公開日 | 2006-12-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. FEBS J., 273, 2006
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2I0F
| Lumazine synthase RibH1 from Brucella abortus (Gene BruAb1_0785, Swiss-Prot entry Q57DY1) | 分子名称: | 6,7-dimethyl-8-ribityllumazine synthase 1, CALCIUM ION | 著者 | Klinke, S, Zylberman, V, Bonomi, H.R, Haase, I, Guimaraes, B.G, Braden, B.C, Bacher, A, Fischer, M, Goldbaum, F.A. | 登録日 | 2006-08-10 | 公開日 | 2007-08-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Structural and Kinetic Properties of Lumazine Synthase Isoenzymes in the Order Rhizobiales J.Mol.Biol., 373, 2007
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7RN2
| Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2 | 分子名称: | 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4 | 著者 | Stachowski, T.R, Fischer, M. | 登録日 | 2021-07-28 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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7RMD
| Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1 | 分子名称: | 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4 | 著者 | Stachowski, T.R, Fischer, M. | 登録日 | 2021-07-27 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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4JM6
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-13 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JM9
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-amino-1-methylpyridinium | 分子名称: | 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, Cytochrome c peroxidase, IODIDE ION, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-13 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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