7KYS
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![BU of 7kys by Molmil](/molmil-images/mine/7kys) | Crystal structure of human BCCIP beta (Native2) | 分子名称: | 1,2-ETHANEDIOL, BRCA2 and CDKN1A-interacting protein, DI(HYDROXYETHYL)ETHER | 著者 | Choi, W.S, Liu, B, Shen, Z, Yang, W. | 登録日 | 2020-12-08 | 公開日 | 2021-06-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of human BCCIP and implications for binding and modification of partner proteins. Protein Sci., 30, 2021
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6B39
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![BU of 6b39 by Molmil](/molmil-images/mine/6b39) | AprA Methyltransferase 1 - GNAT in complex with SAH | 分子名称: | AprA Methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION | 著者 | Skiba, M.A, Smith, J.L. | 登録日 | 2017-09-21 | 公開日 | 2017-11-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.392 Å) | 主引用文献 | A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit. ACS Chem. Biol., 12, 2017
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6B3A
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6B3B
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![BU of 6b3b by Molmil](/molmil-images/mine/6b3b) | AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Malonate | 分子名称: | AprA Methyltransferase 1, GLYCEROL, MALONATE ION, ... | 著者 | Skiba, M.A, Smith, J.L. | 登録日 | 2017-09-21 | 公開日 | 2017-11-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit. ACS Chem. Biol., 12, 2017
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4J3G
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4JWP
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1CM0
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![BU of 1cm0 by Molmil](/molmil-images/mine/1cm0) | CRYSTAL STRUCTURE OF THE PCAF/COENZYME-A COMPLEX | 分子名称: | COENZYME A, P300/CBP ASSOCIATING FACTOR | 著者 | Clements, A, Rojas, J.R, Trievel, R.C, Wang, L, Berger, S.L, Marmorstein, R. | 登録日 | 1999-05-12 | 公開日 | 1999-07-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the histone acetyltransferase domain of the human PCAF transcriptional regulator bound to coenzyme A. EMBO J., 18, 1999
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3F0A
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![BU of 3f0a by Molmil](/molmil-images/mine/3f0a) | Structure of a putative n-acetyltransferase (ta0374) in complex with acetyl-coa from thermoplasma acidophilum | 分子名称: | ACETYL COENZYME *A, CHLORIDE ION, N-ACETYLTRANSFERASE, ... | 著者 | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2008-10-24 | 公開日 | 2008-11-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production. Proteins, 79, 2011
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6GTO
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![BU of 6gto by Molmil](/molmil-images/mine/6gto) | Structure of the AtaR antitoxin | 分子名称: | DUF1778 domain-containing protein, SODIUM ION | 著者 | Garcia-Pino, A, Jurenas, D. | 登録日 | 2018-06-18 | 公開日 | 2019-03-06 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system. Nat. Chem. Biol., 15, 2019
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6GTQ
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6GTR
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6GTP
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3FIX
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![BU of 3fix by Molmil](/molmil-images/mine/3fix) | Crystal structure of a putative n-acetyltransferase (ta0374) from thermoplasma acidophilum | 分子名称: | 1,2-ETHANEDIOL, N-ACETYLTRANSFERASE | 著者 | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2008-12-12 | 公開日 | 2009-01-13 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production. Proteins, 79, 2011
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3K9U
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![BU of 3k9u by Molmil](/molmil-images/mine/3k9u) | Crystal structure of paia acetyltransferase (ta0374) from thermoplasma acidophilum | 分子名称: | ACETYL COENZYME *A, BROMIDE ION, CHLORIDE ION, ... | 著者 | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2009-10-16 | 公開日 | 2009-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production. Proteins, 79, 2011
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3NE7
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![BU of 3ne7 by Molmil](/molmil-images/mine/3ne7) | Crystal structure of paia n-acetyltransferase from thermoplasma acidophilum in complex with coenzyme a | 分子名称: | ACETYLTRANSFERASE, BETA-MERCAPTOETHANOL, COENZYME A, ... | 著者 | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2010-06-08 | 公開日 | 2010-07-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production. Proteins, 79, 2011
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7NWK
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![BU of 7nwk by Molmil](/molmil-images/mine/7nwk) | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | 分子名称: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | 著者 | Collie, G.W, Ferguson, A.D. | 登録日 | 2021-03-16 | 公開日 | 2021-10-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement. J.Med.Chem., 64, 2021
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8I0L
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6W9E
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![BU of 6w9e by Molmil](/molmil-images/mine/6w9e) | Crystal Structure of Human CDK9/cyclinT1 in complex with MC180295 | 分子名称: | (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, Cyclin-T1, ... | 著者 | Zhang, P, Wu, J. | 登録日 | 2020-03-22 | 公開日 | 2021-09-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Comparative Modeling of CDK9 Inhibitors to Explore Selectivity and Structure-Activity Relationships To Be Published
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6Z45
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![BU of 6z45 by Molmil](/molmil-images/mine/6z45) | CDK9-Cyclin-T1 complex bound by compound 24 | 分子名称: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | 著者 | Ferguson, A, Collie, G.W. | 登録日 | 2020-05-22 | 公開日 | 2020-12-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.37 Å) | 主引用文献 | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies. J.Med.Chem., 63, 2020
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3TFY
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4IMY
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8K5R
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![BU of 8k5r by Molmil](/molmil-images/mine/8k5r) | CDK9/cyclin T1 in complex with KB-0742 | 分子名称: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9 | 著者 | Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D. | 登録日 | 2023-07-24 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.751 Å) | 主引用文献 | Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers. J.Med.Chem., 66, 2023
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7UUN
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![BU of 7uun by Molmil](/molmil-images/mine/7uun) | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with neomycin | 分子名称: | 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, NEOMYCIN | 著者 | Stogios, P.J, Evdokimova, E, Di Leo, R, Osipiuk, J, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2022-04-28 | 公開日 | 2022-11-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance. Nat.Chem.Biol., 20, 2024
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7UUO
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![BU of 7uuo by Molmil](/molmil-images/mine/7uuo) | Crystal structure of aminoglycoside resistance enzyme ApmA H135A mutant, complex with tobramycin and coenzyme A | 分子名称: | 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, COENZYME A, ... | 著者 | Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2022-04-28 | 公開日 | 2022-11-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance. Nat.Chem.Biol., 20, 2024
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7UUL
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![BU of 7uul by Molmil](/molmil-images/mine/7uul) | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with kanamycin B and coenzyme A | 分子名称: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, ... | 著者 | Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2022-04-28 | 公開日 | 2022-11-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance. Nat.Chem.Biol., 20, 2024
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