1A9U
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![BU of 1a9u by Molmil](/molmil-images/mine/1a9u) | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580 | 分子名称: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAP KINASE P38 | 著者 | Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | 登録日 | 1998-04-10 | 公開日 | 1999-04-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis of inhibitor selectivity in MAP kinases. Structure, 6, 1998
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7RC1
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![BU of 7rc1 by Molmil](/molmil-images/mine/7rc1) | X-ray Structure of SARS-CoV main protease covalently modified by compound GRL-0686 | 分子名称: | 3C-like proteinase, 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate, DIMETHYL SULFOXIDE | 著者 | Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-07-07 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies. J.Med.Chem., 64, 2021
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8UCV
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![BU of 8ucv by Molmil](/molmil-images/mine/8ucv) | Complete DNA termination subcomplex 1 of Xenopus laevis DNA polymerase alpha-primase | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA primase large subunit, ... | 著者 | Mullins, E.A, Chazin, W.C, Eichman, B.F. | 登録日 | 2023-09-27 | 公開日 | 2023-10-11 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.81 Å) | 主引用文献 | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
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7RBR
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![BU of 7rbr by Molmil](/molmil-images/mine/7rbr) | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Papain-like protease, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-07-06 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin. Nat Commun, 14, 2023
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6PZ7
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![BU of 6pz7 by Molmil](/molmil-images/mine/6pz7) | GH5-4 broad specificity endoglucanase from Clostridium acetobutylicum | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Endoglucanase family 5 | 著者 | Bianchetti, C.M, Bingman, C.A, Fox, B.G. | 登録日 | 2019-07-31 | 公開日 | 2020-08-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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4PFQ
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![BU of 4pfq by Molmil](/molmil-images/mine/4pfq) | Crystal structure of hypoxanthine phosphoribosyltransferase from Brachybacterium faecium DSM 4810, NYSGRC Target 029763. | 分子名称: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | 著者 | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2014-04-30 | 公開日 | 2014-07-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of hypoxanthine phosphoribosyltransferase from Brachybacterium faecium DSM 4810, NYSGRC Target 0299763. to be published
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5JE7
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![BU of 5je7 by Molmil](/molmil-images/mine/5je7) | Human carbonic anhydrase II (F131Y) complexed with benzo[d]thiazole-2-sulfonamide | 分子名称: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | 登録日 | 2016-04-17 | 公開日 | 2017-01-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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7NVQ
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1AA5
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![BU of 1aa5 by Molmil](/molmil-images/mine/1aa5) | VANCOMYCIN | 分子名称: | ACETIC ACID, CHLORIDE ION, VANCOMYCIN, ... | 著者 | Loll, P.J, Bevivino, A.E, Korty, B.D, Axelsen, P.H. | 登録日 | 1997-01-23 | 公開日 | 1997-08-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (0.89 Å) | 主引用文献 | Simultaneous Recognition of a Carboxylate-Containing Ligand and an Intramolecular Surrogate Ligand in the Crystal Structure of an Asymmetric Vancomycin Dimer. J.Am.Chem.Soc., 119, 1997
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1AIV
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![BU of 1aiv by Molmil](/molmil-images/mine/1aiv) | APO OVOTRANSFERRIN | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OVOTRANSFERRIN | 著者 | Kurokawa, H, Dewan, J.C, Mikami, B, Sacchettini, J.C, Hirose, M. | 登録日 | 1997-04-28 | 公開日 | 1998-04-29 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of hen apo-ovotransferrin. Both lobes adopt an open conformation upon loss of iron J.Biol.Chem., 274, 1999
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7O5H
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![BU of 7o5h by Molmil](/molmil-images/mine/7o5h) | Ribosomal methyltransferase KsgA bound to small ribosomal subunit | 分子名称: | 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | 著者 | Stephan, N.C, Ries, A.B, Boehringer, D, Ban, N. | 登録日 | 2021-04-08 | 公開日 | 2021-06-16 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis of successive adenosine modifications by the conserved ribosomal methyltransferase KsgA. Nucleic Acids Res., 49, 2021
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5F8N
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6XN9
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![BU of 6xn9 by Molmil](/molmil-images/mine/6xn9) | Solution NMR structure of recifin, a cysteine-rich tyrosyl-DNA Phosphodiesterase I modulatory peptide from the marine sponge Axinella sp. | 分子名称: | Recifin modulatory peptide | 著者 | Schroeder, C.I, Rosengren, K.J, O'Keefe, B.R. | 登録日 | 2020-07-02 | 公開日 | 2021-02-10 | 実験手法 | SOLUTION NMR | 主引用文献 | Recifin A, Initial Example of the Tyr-Lock Peptide Structural Family, Is a Selective Allosteric Inhibitor of Tyrosyl-DNA Phosphodiesterase I. J.Am.Chem.Soc., 142, 2020
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6JN4
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5JG5
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![BU of 5jg5 by Molmil](/molmil-images/mine/5jg5) | Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide | 分子名称: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | 登録日 | 2016-04-19 | 公開日 | 2017-01-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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4PCR
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![BU of 4pcr by Molmil](/molmil-images/mine/4pcr) | Crystal structure of Canavalia brasiliensis seed lectin (ConBr) complexed with Gamma-Aminobutyric Acid (GABA) | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Concanavalin-Br, ... | 著者 | Delatorre, P, Rocha, B.A.M, Silva-Filho, J.C, Teixeira, C.S, Cavada, B.S, Nascimento, K.S, Nbrega, R.B, Nagano, C.S, Sampaio, A.H, Leal, R.B, Neto, I.L.B. | 登録日 | 2014-04-16 | 公開日 | 2015-04-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal structure of Canavalia brasiliensis seed lectin (ConBr) complexed with Gamma-Aminobutyric Acid (GABA) To Be Published
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4PCZ
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5JGT
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![BU of 5jgt by Molmil](/molmil-images/mine/5jgt) | Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide | 分子名称: | 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | 登録日 | 2016-04-20 | 公開日 | 2017-01-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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6G25
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![BU of 6g25 by Molmil](/molmil-images/mine/6g25) | X-ray structure of NSD3-PWWP1 in complex with compound 4 | 分子名称: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.432 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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5FC1
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![BU of 5fc1 by Molmil](/molmil-images/mine/5fc1) | Murine SMPDL3A in complex with sulfate | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... | 著者 | Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B. | 登録日 | 2015-12-14 | 公開日 | 2016-01-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.389 Å) | 主引用文献 | Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A. J.Biol.Chem., 291, 2016
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6G2B
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![BU of 6g2b by Molmil](/molmil-images/mine/6g2b) | X-ray structure of NSD3-PWWP1 in complex with compound 8 | 分子名称: | 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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192L
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6Z3L
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![BU of 6z3l by Molmil](/molmil-images/mine/6z3l) | Repulsive Guidance Molecule C (RGMC, Hemojuvelin, HJV, HFE2) in complex with Growth Differentiation Factor 5 (GDF5) | 分子名称: | Growth/differentiation factor 5, Hemojuvelin | 著者 | Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C. | 登録日 | 2020-05-20 | 公開日 | 2020-07-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.513 Å) | 主引用文献 | Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex. Proc.Natl.Acad.Sci.USA, 117, 2020
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6NNW
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![BU of 6nnw by Molmil](/molmil-images/mine/6nnw) | Tsn15 in complex with substrate intermediate | 分子名称: | (3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione, PHOSPHATE ION, PROPANOIC ACID, ... | 著者 | Paiva, F.C.R, Little, R, Leadlay, P, Dias, M.V.B. | 登録日 | 2019-01-15 | 公開日 | 2019-10-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis Nat Catal, 2019
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6Z7O
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![BU of 6z7o by Molmil](/molmil-images/mine/6z7o) | Crystal structure of Thioredoxin T from Drosophila melanogaster | 分子名称: | Thioredoxin-T, ZINC ION | 著者 | Freier, R, Aragon, E, Baginski, B, Pluta, R, Martin-Malpartida, P, Torner, C, Gonzaez, C, Macias, M. | 登録日 | 2020-05-31 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structures of the germline-specific Deadhead and thioredoxin T proteins from Drosophila melanogaster reveal unique features among thioredoxins. Iucrj, 8, 2021
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