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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
7NVQ
 | |
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
|
|
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
|
|
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
|
|
5F8N
 | |
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
|
|
6JN4
 | |
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
|
|
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
|
|
4PCZ
 | |
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
|
|
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
|
|
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
|
|
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
|
|
192L
 | |
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
|
|
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
|
|
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
|
|
