PDB: 17012 件ウェブページステータス検索Chemie searchBIRD

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6TB1	Crystal structure of thermostable omega transaminase 6-fold mutant from Pseudomonas jessenii 分子名称: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... 著者 Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. 登録日 2019-10-31 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Robust omega-Transaminases by Computational Stabilization of the Subunit Interface. Acs Catalysis, 10, 2020
6TEL	Crystal structure of Dot1L in complex with an inhibitor (compound 10). 分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, POTASSIUM ION, ... 著者 Scheufler, C, Stauffer, F, Be, C, Moebitz, H. 登録日 2019-11-12 公開日 2019-12-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse. Acs Med.Chem.Lett., 10, 2019
6TEN	Crystal structure of Dot1L in complex with an inhibitor (compound 11). 分子名称: 3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... 著者 Scheufler, C, Stauffer, F, Be, C, Moebitz, H. 登録日 2019-11-12 公開日 2019-12-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse. Acs Med.Chem.Lett., 10, 2019
6FR2	Soluble epoxide hydrolase in complex with LK864 分子名称: 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. 登録日 2018-02-15 公開日 2018-09-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.262 Å) 主引用文献 Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase. Bioorg. Chem., 80, 2018
1NYM	Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (CXB) 分子名称: Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ... 著者 Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. 登録日 2003-02-12 公開日 2003-08-26 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Recognition and resistance in TEM beta-lactamase Biochemistry, 42, 2003
1ODY	HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 分子名称: 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, HIV-1 PROTEASE 著者 Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. 登録日 1998-07-13 公開日 1999-02-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV. Protein Sci., 7, 1998
6H6R	Fragment Derived XIAP inhibitor 分子名称: 2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... 著者 Williams, P.A. 登録日 2018-07-30 公開日 2018-08-22 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660). J. Med. Chem., 61, 2018
1NYY	Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (105) 分子名称: Beta-lactamase TEM, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID 著者 Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. 登録日 2003-02-14 公開日 2003-08-26 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Recognition and resistance in TEM beta-lactamase Biochemistry, 42, 2003
1NY0	Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (NBF) 分子名称: Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ... 著者 Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. 登録日 2003-02-11 公開日 2003-08-26 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Recognition and Resistance in TEM beta-lactamase Biochemistry, 42, 2003
6H6Q	Fragment Derived XIAP inhibitor 分子名称: 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, ZINC ION 著者 Williams, P.A. 登録日 2018-07-30 公開日 2018-08-22 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.63 Å) 主引用文献 A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660). J. Med. Chem., 61, 2018
1PS5	STRUCTURE OF THE MONOCLINIC C2 FORM OF HEN EGG-WHITE LYSOZYME AT 2.0 ANGSTROMS RESOLUTION 分子名称: Lysozyme C, SULFATE ION 著者 Majeed, S, Ofek, G, Belachew, A, Huang, C, Zhou, T, Kwong, P.D. 登録日 2003-06-20 公開日 2003-09-09 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Enhancing Protein Crystallization through Precipitant Synergy Structure, 11, 2003
1NXY	Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2) 分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION 著者 Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. 登録日 2003-02-11 公開日 2003-08-26 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Recognition and Resistance in TEM beta-lactamase Biochemistry, 42, 2003
4EGF	Crystal structure of a L-xylulose reductase from Mycobacterium smegmatis 分子名称: L-xylulose reductase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID), Arakaki, T.L, Staker, B.L, Fairman, J.W. 登録日 2012-03-30 公開日 2012-05-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4EYE	Crystal structure of a probable oxidoreductase from Mycobacterium abscessus solved by iodide ion SAD 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, Probable oxidoreductase 著者 Edwards, T.E, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-05-01 公開日 2012-05-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4ED4	Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abcessus, bound to ATP 分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-TRIPHOSPHATE 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-03-26 公開日 2012-04-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
7KQV	Crystal Structure of aldehyde dehydrogenase (ChALDH) from Cladosporium herbarum 分子名称: Aldehyde dehydrogenase 著者 Lee, S.G, Jez, J.M. 登録日 2020-11-17 公開日 2021-11-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3.18 Å) 主引用文献 Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family. Transgenic Res, 31, 2022
4DXL	Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abscessus, bound to CMP and ATP 分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-02-27 公開日 2012-03-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4DQ8	Crystal structure of acetate kinase AckA from Mycobacterium marinum 分子名称: Acetate kinase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-02-15 公開日 2012-02-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
7KRG	Crystal Structure of Mannitol Dehydrogenase (ChMDH) from Cladosporium herbarum in complex with NADP+ and Na 分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent mannitol dehydrogenase, SODIUM ION 著者 Lee, S.G, Jez, J.M. 登録日 2020-11-19 公開日 2022-02-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.03797364 Å) 主引用文献 Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family. Transgenic Res, 31, 2022
4EMD	Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abcessus, bound to CMP and SO4 分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, CYTIDINE-5'-MONOPHOSPHATE, SULFATE ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-04-11 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4EGE	Crystal Structure of Dipeptidase PepE from Mycobacterium ulcerans 分子名称: 1,2-ETHANEDIOL, Dipeptidase PepE, UNKNOWN ATOM OR ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-03-30 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4F3W	Crystal structure of cytidine deaminase Cdd from Mycobacterium marinum 分子名称: Cytidine deaminase Cdd, ZINC ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-05-09 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4DIE	Crystal structure of a cytidylate kinase CmK from Mycobacterium abscessus bound to cytidine-5'-monophosphate 分子名称: CYTIDINE-5'-MONOPHOSPHATE, Cytidylate kinase, PHOSPHATE ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-01-30 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4DI1	Crystal structure of enoyl-CoA hydratase EchA17 from Mycobacterium marinum 分子名称: 1,2-ETHANEDIOL, Enoyl-CoA hydratase EchA17 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-01-30 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4FFC	Crystal structure of a 4-aminobutyrate aminotransferase (GabT) from Mycobacterium abscessus 分子名称: 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase (GabT) 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-05-31 公開日 2012-06-13 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015

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