3MYR
 
 | | Crystal structure of [NiFe] hydrogenase from Allochromatium vinosum in its Ni-A state | | 分子名称: | CHLORIDE ION, FE3-S4 CLUSTER, Hydrogenase (NiFe) small subunit HydA, ... | | 著者 | Ogata, H, Kellers, P, Lubitz, W. | | 登録日 | 2010-05-11 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of the [NiFe] hydrogenase from the photosynthetic bacterium Allochromatium vinosum: characterization of the oxidized enzyme (Ni-A state).
J.Mol.Biol., 402, 2010
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4J1R
 | | Crystal Structure of GSK3b in complex with inhibitor 15R | | 分子名称: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | | 著者 | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-02-01 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.702 Å) | | 主引用文献 | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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1KI4
 | | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOTHIENYLDEOXYURIDINE | | 分子名称: | 5-BROMOTHIENYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | | 登録日 | 1998-05-18 | | 公開日 | 1998-12-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
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4Y5S
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6MFP
 | | Crystal Structure of the RV305 C1-C2 specific ADCC potent antibody DH677.3 Fab in complex with HIV-1 clade A/E gp120 and M48U1 | | 分子名称: | 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, CHLORIDE ION, ... | | 著者 | Tolbert, W.D, Young, B, Pazgier, M. | | 登録日 | 2018-09-11 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
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4J4U
 | | Pentamer SFTSVN | | 分子名称: | Nucleocapsid protein | | 著者 | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | | 登録日 | 2013-02-07 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.803 Å) | | 主引用文献 | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013
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6LKV
 | | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | | 分子名称: | CHLORIDE ION, Macrophage migration inhibitory factor, SULFATE ION | | 著者 | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | | 登録日 | 2019-12-20 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum.
Biochem.J., 477, 2020
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7JT4
 | | Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan | | 分子名称: | Nucleosome-remodeling factor subunit BPTF | | 著者 | Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2020-08-17 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
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4IXV
 | | Crystal structure of human Arginase-2 complexed with inhibitor 2d: {(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-) | | 分子名称: | Arginase-2, mitochondrial, BENZAMIDINE, ... | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. | | 登録日 | 2013-01-28 | | 公開日 | 2013-12-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
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4CQ5
 | | Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, PHENYLALANINE AMINOMUTASE, ... | | 著者 | Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W. | | 登録日 | 2014-02-11 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis.
Biochemistry, 53, 2014
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4YUN
 | | Multiconformer synchrotron model of CypA at 310 K | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | 登録日 | 2015-03-18 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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5MPD
 | | 26S proteasome in presence of ATP (s1) | | 分子名称: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ... | | 著者 | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | | 登録日 | 2016-12-16 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7JS8
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) | | 分子名称: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2020-08-14 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.634 Å) | | 主引用文献 | Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity.
J.Med.Chem., 64, 2021
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3S95
 | | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Beltrami, A, Chaikuad, A, Daga, N, Elkins, J.M, Mahajan, P, Savitsky, P, Vollmar, M, Krojer, T, Muniz, J.R.C, Fedorov, O, Allerston, C.K, Yue, W.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2011-05-31 | | 公開日 | 2011-07-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
To be Published
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4YGJ
 | | NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | | 分子名称: | BROMIDE ION, Carbonic anhydrase 2, ZINC ION | | 著者 | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | | 登録日 | 2015-02-26 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
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4YDT
 | | Beta1 synthetic solenoid protein | | 分子名称: | beta1 protein | | 著者 | Murray, J.W. | | 登録日 | 2015-02-23 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4YGN
 | | NaI--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | | 分子名称: | Carbonic anhydrase 2, IODIDE ION, ZINC ION | | 著者 | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | | 登録日 | 2015-02-26 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
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4AAS
 | | ATP-triggered molecular mechanics of the chaperonin GroEL | | 分子名称: | 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Clare, D.K, Vasishtan, D, Stagg, S, Quispe, J, Farr, G.W, Topf, M, Horwich, A.L, Saibil, H.R. | | 登録日 | 2011-12-05 | | 公開日 | 2012-12-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (8.5 Å) | | 主引用文献 | ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin.
Cell(Cambridge,Mass.), 149, 2012
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4COX
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4H9N
 | | Complex structure 1 of DAXX/H3.3(sub5)/H4 | | 分子名称: | Death domain-associated protein 6, Histone H3.3, Histone H4, ... | | 著者 | Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J. | | 登録日 | 2012-09-24 | | 公開日 | 2012-10-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
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6NNZ
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4 | | 分子名称: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid, ... | | 著者 | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | 登録日 | 2019-01-15 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4
To Be Published
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1XUG
 | | TRYPSIN-BABIM-ZN+2, PH 8.2 | | 分子名称: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, TRYPSIN, ... | | 著者 | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | | 登録日 | 1997-10-10 | | 公開日 | 1998-12-16 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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1XUI
 | | TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2 | | 分子名称: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, SODIUM ION, ... | | 著者 | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | | 登録日 | 1997-10-10 | | 公開日 | 1998-11-11 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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1KI3
 | | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH PENCICLOVIR | | 分子名称: | 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE, SULFATE ION, THYMIDINE KINASE | | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Jarvest, R.L, Summers, W.C, Sanderson, M.R. | | 登録日 | 1998-05-15 | | 公開日 | 1999-05-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
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4GTQ
 | | FTase in complex with BMS analogue 12 | | 分子名称: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ... | | 著者 | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | | 登録日 | 2012-08-29 | | 公開日 | 2012-10-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
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