2M7M
 
 | | N-terminal domain of EhCaBP1 structure | | 分子名称: | CALCIUM ION, Calcium-binding protein | | 著者 | Chary, K.V, Rout, A.K, Patel, S, Bhattacharya, A. | | 登録日 | 2013-04-26 | | 公開日 | 2013-06-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Functional Manipulation of a Calcium-binding Protein from Entamoeba histolytica Guided by Paramagnetic NMR.
J.Biol.Chem., 288, 2013
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2M7N
 | | C-terminal structure of (Y81F)-EhCaBP1 | | 分子名称: | CALCIUM ION, Calcium-binding protein | | 著者 | Chary, K.V, Rout, A.K, Patel, S, Bhattacharya, A. | | 登録日 | 2013-04-26 | | 公開日 | 2013-06-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Functional Manipulation of a Calcium-binding Protein from Entamoeba histolytica Guided by Paramagnetic NMR.
J.Biol.Chem., 288, 2013
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5E6F
 | | Canarypox virus resolvase | | 分子名称: | CNPV261 Holliday junction resolvase protein, D(-)-TARTARIC ACID, MAGNESIUM ION | | 著者 | Li, H, Hwang, Y, Perry, K, Bushman, F.D, Van Duyne, G.D. | | 登録日 | 2015-10-09 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure and Metal Binding Properties of a Poxvirus Resolvase.
J.Biol.Chem., 291, 2016
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6UM6
 | | Cryo-EM structure of HIV-1 neutralizing antibody DH270.6 in complex with CH848 10.17DT Env | | 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-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Acharya, P, Henderson, R.C, Saunder, K.O, Haynes, B.F. | | 登録日 | 2019-10-09 | | 公開日 | 2019-12-18 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
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6UM7
 | | Cryo-EM structure of vaccine-elicited HIV-1 neutralizing antibody DH270.mu1 in complex with CH848 10.17DT Env | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH270.mu1 Fab Heavy Chain, DH270.mu1 Fab Light chain, ... | | 著者 | Acharya, P, Henderson, R.C, Saunders, K, Haynes, B.F. | | 登録日 | 2019-10-09 | | 公開日 | 2019-12-18 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
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4RWY
 | | Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC131 in complex with HIV-1 clade B YU2 gp120 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Acharya, P, Luongo, T.S, Kwong, P.D. | | 登録日 | 2014-12-08 | | 公開日 | 2015-07-01 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.128 Å) | | 主引用文献 | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
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6EZO
 | | Eukaryotic initiation factor EIF2B in complex with ISRIB | | 分子名称: | 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Human eukaryotic initiation factor EIF2B epsilon subunits, Translation initiation factor eIF-2B subunit alpha, ... | | 著者 | Faille, A, Weis, F, Zyryanova, A, Warren, A.J, Ron, D. | | 登録日 | 2017-11-16 | | 公開日 | 2018-03-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Binding of ISRIB reveals a regulatory site in the nucleotide exchange factor eIF2B.
Science, 359, 2018
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7LMI
 | | SARS-CoV-1 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL | | 著者 | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LMH
 | | SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-(pyridin-3-yl)phenyl)-N-(thiophen-3-ylmethyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL | | 著者 | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LMJ
 | | SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-(4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.686 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LMG
 | | SARS-CoV-1 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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1DZF
 | | RPB5 from S.cerevisiae | | 分子名称: | DNA-DIRECTED RNA POLYMERASES I, II, AND III SUBUNIT RPABC 1 | | 著者 | Todone, F, Weinzierl, R.O.J, Brick, P, Onesti, S. | | 登録日 | 2000-02-25 | | 公開日 | 2000-06-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of Rpb5, a Universal Eukaryotic RNA Polymerase Subunit and Transcription Factor Interaction Target
Proc.Natl.Acad.Sci.USA, 97, 2000
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5WPJ
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2VOJ
 | | Ternary complex of M. tuberculosis Rv2780 with NAD and pyruvate | | 分子名称: | (2S)-2-HYDROXYPROPANOIC ACID, ALANINE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Tripathi, S.M, Ramachandran, R. | | 登録日 | 2008-02-18 | | 公開日 | 2008-03-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structures of the Mycobacterium Tuberculosis Secretory Antigen Alanine Dehydrogenase (Rv2780) in Apo and Ternary Complex Forms Captures "Open" and "Closed" Enzyme Conformations.
Proteins: Struct., Funct., Bioinf., 72, 2008
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8A3Q
 | | Human Plasma Kallekrein in complex with 14W | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein, ... | | 著者 | McEwan, P.A. | | 登録日 | 2022-06-08 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema.
J.Med.Chem., 65, 2022
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3OPY
 | | Crystal structure of Pichia pastoris phosphofructokinase in the T-state | | 分子名称: | 6-phosphofructo-1-kinase alpha-subunit, 6-phosphofructo-1-kinase beta-subunit, 6-phosphofructo-1-kinase gamma-subunit, ... | | 著者 | Strater, N, Marek, S, Kuettner, E.B, Kloos, M, Keim, A, Bruser, A, Kirchberger, J, Schoneberg, T. | | 登録日 | 2010-09-02 | | 公開日 | 2010-10-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Molecular architecture and structural basis of allosteric regulation of eukaryotic phosphofructokinases.
Faseb J., 25, 2011
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2PXI
 | | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate | | 分子名称: | 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | | 著者 | McKenna, C.E, Batra, V.K, Beard, W.A, Pedersen, L.C, Wilson, S.H. | | 登録日 | 2007-05-14 | | 公開日 | 2008-01-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | (R)-beta,gamma-fluoromethylene-dGTP-DNA ternary complex with DNA polymerase beta.
J.Am.Chem.Soc., 129, 2007
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5ZED
 | | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (E214V/T215S) | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein ADH | | 著者 | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | | 登録日 | 2018-02-27 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | | 主引用文献 | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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5Z2X
 | | Structure of Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH) | | 分子名称: | 1,2-ETHANEDIOL, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | | 登録日 | 2018-01-04 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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5ZEC
 | | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Q136N/F161V/S196G/E214G/S237C) | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ... | | 著者 | Wang, Y, ZHou, J.Y, Hou, X.D, Xu, G.C, Rao, Y.J, Wu, L, Zhou, J.H, Ni, Y. | | 登録日 | 2018-02-27 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.779 Å) | | 主引用文献 | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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4QZB
 | | Mouse Tdt in complex with a DSB substrate, C-T base pair | | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*TP*TP*TP*TP*GP*T)-3', ... | | 著者 | Gouge, J, Delarue, M. | | 登録日 | 2014-07-27 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair.
Embo J., 34, 2015
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4QZF
 | | Mouse Tdt, F401A mutant, in complex with a DSB substrate, C-A base pair | | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*TP*TP*TP*TP*GP*A)-3', ... | | 著者 | Gouge, J, Delarue, M. | | 登録日 | 2014-07-27 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair.
Embo J., 34, 2015
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3L0E
 | | X-ray crystal structure of a Potent Liver X Receptor Modulator | | 分子名称: | N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta | | 著者 | Gampe Jr, R.T. | | 登録日 | 2009-12-09 | | 公開日 | 2010-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of tertiary sulfonamides as potent liver X receptor antagonists.
J.Med.Chem., 53, 2010
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2P8U
 | | Crystal structure of human 3-hydroxy-3-methylglutaryl CoA synthase I | | 分子名称: | COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ... | | 著者 | Turnbull, A, Shafqat, N, Salah, E, Niesen, F.H, Burgess, N, Bunkoczi, G, Debreczeni, J, Pike, A.C.W, Umeano, C, Gorrec, F, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2007-03-23 | | 公開日 | 2007-04-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of human HMG-CoA synthase isoforms provide insights into inherited ketogenesis disorders and inhibitor design.
J.Mol.Biol., 398, 2010
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3HEA
 | | The L29P/L124I mutation of Pseudomonas fluorescens esterase | | 分子名称: | Arylesterase, ETHYL ACETATE, GLYCEROL, ... | | 著者 | Kazlauskas, R.J, Schrag, J.D, Cheeseman, J.D, Morley, K.L. | | 登録日 | 2009-05-08 | | 公開日 | 2010-03-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase.
Biochemistry, 49, 2010
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