6S7S
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![BU of 6s7s by Molmil](/molmil-images/mine/6s7s) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-phenylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | 分子名称: | FORMIC ACID, Fumarate hydratase class II, ~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | 登録日 | 2019-07-05 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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8P0W
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![BU of 8p0w by Molmil](/molmil-images/mine/8p0w) | Structure of the human Commander complex COMMD ring | 分子名称: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | 著者 | Kumpula, E.P, Laulumaa, S, Huiskonen, J.T. | 登録日 | 2023-05-11 | 公開日 | 2024-03-20 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structure and interactions of the endogenous human Commander complex. Nat.Struct.Mol.Biol., 31, 2024
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8P6W
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![BU of 8p6w by Molmil](/molmil-images/mine/8p6w) | Cryo-EM structure of CAK in complex with inhibitor BS-181 | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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1AQ7
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![BU of 1aq7 by Molmil](/molmil-images/mine/1aq7) | |
8PB7
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![BU of 8pb7 by Molmil](/molmil-images/mine/8pb7) | PsiM in complex with sinefungin and baeocystin | 分子名称: | Baeocystin, CHLORIDE ION, Psilocybin synthase, ... | 著者 | Werten, S, Hudspeth, J, Rupp, B. | 登録日 | 2023-06-08 | 公開日 | 2024-04-03 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | 主引用文献 | Methyl transfer in psilocybin biosynthesis. Nat Commun, 15, 2024
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8P6Z
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![BU of 8p6z by Molmil](/molmil-images/mine/8p6z) | Cryo-EM structure of CAK in complex with inhibitor ICEC0510-R | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8P74
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![BU of 8p74 by Molmil](/molmil-images/mine/8p74) | Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-up conformation) | 分子名称: | (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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1B48
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![BU of 1b48 by Molmil](/molmil-images/mine/1b48) | |
8P73
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![BU of 8p73 by Molmil](/molmil-images/mine/8p73) | Cryo-EM structure of CAK in complex with inhibitor ICEC0829 | 分子名称: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol, (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol, CDK-activating kinase assembly factor MAT1, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8OJX
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![BU of 8ojx by Molmil](/molmil-images/mine/8ojx) | Streptavidin S112YK121E artificial metalloenzyme for carboamination | 分子名称: | IRIDIUM ION, Streptavidin, trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) | 著者 | Igareta, N.V, Ward, T.R. | 登録日 | 2023-03-25 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Streptavidin WT artificial metalloenzyme for carboamination To Be Published
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8P75
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![BU of 8p75 by Molmil](/molmil-images/mine/8p75) | Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-down conformation) | 分子名称: | (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8P6X
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![BU of 8p6x by Molmil](/molmil-images/mine/8p6x) | Cryo-EM structure of CAK in complex with inhibitor BS-194 | 分子名称: | (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8P71
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![BU of 8p71 by Molmil](/molmil-images/mine/8p71) | Cryo-EM structure of CAK in complex with inhibitor ICEC0574 | 分子名称: | (3R,4S)-4-[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8P7L
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![BU of 8p7l by Molmil](/molmil-images/mine/8p7l) | Cryo-EM structure of CDK7 subunit of CAK in complex with inhibitor LDC4297 | 分子名称: | 2-[(3S)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, CDK-activating kinase assembly factor MAT1, Cyclin-dependent kinase 7 | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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1B73
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![BU of 1b73 by Molmil](/molmil-images/mine/1b73) | GLUTAMATE RACEMASE FROM AQUIFEX PYROPHILUS | 分子名称: | GLUTAMATE RACEMASE | 著者 | Hwang, K.Y, Cho, C.S, Kim, S.S, Yu, Y.G, Cho, Y. | 登録日 | 1999-01-26 | 公開日 | 1999-01-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure and mechanism of glutamate racemase from Aquifex pyrophilus. Nat.Struct.Biol., 6, 1999
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8P77
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![BU of 8p77 by Molmil](/molmil-images/mine/8p77) | Cryo-EM structure of CAK in complex with inhibitor ICEC0943 | 分子名称: | (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.8 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8P76
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![BU of 8p76 by Molmil](/molmil-images/mine/8p76) | Cryo-EM structure of CAK in complex with inhibitor ICEC0914 | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8OSQ
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![BU of 8osq by Molmil](/molmil-images/mine/8osq) | |
8OUM
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![BU of 8oum by Molmil](/molmil-images/mine/8oum) | Arf GTPase from the asgard Gerdarchaea : GerdArfR1 bound to GTP | 分子名称: | GTP-binding protein, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | 著者 | Menetrey, J, Jackson, C, Dacks, J.B, Elias, M, Vargova, R. | 登録日 | 2023-04-24 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Arf Family GTPases are present in Asgard archaea To Be Published
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8OU2
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![BU of 8ou2 by Molmil](/molmil-images/mine/8ou2) | Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor | 分子名称: | 1,2-ETHANEDIOL, 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Balikci, E, Ni, X, Bountra, C, von Delft, F, Huber, K. | 登録日 | 2023-04-21 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor To Be Published
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7PQR
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![BU of 7pqr by Molmil](/molmil-images/mine/7pqr) | LsAA9A expressed in E. coli | 分子名称: | ACETATE ION, Auxiliary activity 9, CHLORIDE ION, ... | 著者 | Muderspach, S.J, Metherall, J, Ipsen, J, Rollan, C.H, Norholm, M, Johansen, K.S, Lo Leggio, L. | 登録日 | 2021-09-20 | 公開日 | 2022-08-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
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8P57
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![BU of 8p57 by Molmil](/molmil-images/mine/8p57) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P55
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![BU of 8p55 by Molmil](/molmil-images/mine/8p55) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar MG-132. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P5A
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![BU of 8p5a by Molmil](/molmil-images/mine/8p5a) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer R. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P78
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![BU of 8p78 by Molmil](/molmil-images/mine/8p78) | Cryo-EM structure of CAK in complex with inhibitor dinaciclib | 分子名称: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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