5T2Q
 
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5WEF
 | | Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770) | | 分子名称: | 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-07-09 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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6UM3
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2AJS
 | | Crystal structure of cocaine catalytic antibody 7A1 Fab' in complex with heptaethylene glycol | | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Antibody 7A1 FAB', GLYCEROL, ... | | 著者 | Zhu, X, Wilson, I.A. | | 登録日 | 2005-08-02 | | 公開日 | 2006-02-14 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
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2AJZ
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5WNH
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4REW
 | | Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex | | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | 著者 | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | | 登録日 | 2014-09-24 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (4.58 Å) | | 主引用文献 | Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
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7FVS
 | | Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one | | 分子名称: | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Xu, B, Benz, J, Cumming, J.G, Kreis, L, Rudolph, M.G. | | 登録日 | 2023-04-18 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Acs Med.Chem.Lett., 14, 2023
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7FVT
 | | Crystal Structure of S. aureus gyrase in complex with 6-[5-[2-[(4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one | | 分子名称: | 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | 著者 | Xu, B, Benz, J, Cumming, J.G, Rudolph, M.G. | | 登録日 | 2023-04-18 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.081 Å) | | 主引用文献 | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Acs Med.Chem.Lett., 14, 2023
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7Z8E
 | | Crystal structure of the substrate-binding protein YejA from S. meliloti in complex with peptide fragment | | 分子名称: | 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, GLY-SER-ASP-VAL-ALA, ... | | 著者 | Morera, S, Vigouroux, V, Travin, D.Y. | | 登録日 | 2022-03-17 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Dual-Uptake Mode of the Antibiotic Phazolicin Prevents Resistance Acquisition by Gram-Negative Bacteria.
Mbio, 14, 2023
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8XDD
 | | Cryo-EM structure of human urea transporter A2. | | 分子名称: | 1-(3-methoxyphenyl)methanamine, 8-hydroxyquinoline-2-carboxylic acid, Urea transporter 2 | | 著者 | Huang, S, Liu, L, Sun, J. | | 登録日 | 2023-12-10 | | 公開日 | 2024-12-04 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural insights into the mechanisms of urea permeation and distinct inhibition modes of urea transporters.
Nat Commun, 15, 2024
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2X6I
 | | THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PIK-90 | | 分子名称: | N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, PHOSPHOTIDYLINOSITOL 3 KINASE 59F | | 著者 | Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L. | | 登録日 | 2010-02-17 | | 公開日 | 2010-04-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Science, 327, 2010
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6AS5
 | | CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A | | 分子名称: | ACETOACETIC ACID, COENZYME A, Citrate lyase subunit beta-like protein, ... | | 著者 | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | 登録日 | 2017-08-23 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.035 Å) | | 主引用文献 | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7FPD
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09E01 from the F2X-Universal Library | | 分子名称: | 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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4XXT
 | | Crystal structure of Fused Zn-dependent amidase/peptidase/peptodoglycan-binding domain-containing protein from Clostridium acetobutylicum ATCC 824 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Fusion of predicted Zn-dependent amidase/peptidase (Cell wall hydrolase/DD-carboxypeptidase family) and uncharacterized domain of ErfK family peptodoglycan-binding domain, ... | | 著者 | Chang, C, Cuff, M, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2015-01-30 | | 公開日 | 2015-02-18 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Crystal structure of Fused Zn-dependent amidase/peptidase/peptodoglycan-binding domain-containing protein from from Clostridium acetobutylicum ATCC 824
To Be Published
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7Z0Q
 | | MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange | | 分子名称: | 1,2-ETHANEDIOL, CLIP peptide, HLA class II histocompatibility antigen, ... | | 著者 | Roske, Y, Abualrous, E.T, Freund, C. | | 登録日 | 2022-02-23 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange.
Nat.Chem.Biol., 19, 2023
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5D6R
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3K99
 | | HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol | | 分子名称: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | 著者 | Gajiwala, K.S, Davies II, J.F. | | 登録日 | 2009-10-15 | | 公開日 | 2010-02-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
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7Z0I
 | | human PEX13 SH3 domain | | 分子名称: | 1,2-ETHANEDIOL, Peroxisomal membrane protein PEX13, ZINC ION | | 著者 | Gaussmann, S, Zak, K, Sattler, M. | | 登録日 | 2022-02-23 | | 公開日 | 2023-03-08 | | 最終更新日 | 2025-09-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Modulation of peroxisomal import by the PEX13 SH3 domain and a proximal FxxxF binding motif.
Nat Commun, 15, 2024
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6L6P
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4NOZ
 | | Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia | | 分子名称: | 1,2-ETHANEDIOL, Organic hydroperoxide resistance protein | | 著者 | Dranow, D.M, Lukacs, C.M, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2013-11-20 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia
TO BE PUBLISHED
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5GTT
 | | Crystal structure of C. perfringens iota-like enterotoxin CPILE-a | | 分子名称: | 1,2-ETHANEDIOL, Binary enterotoxin of Clostridium perfringens component a | | 著者 | Toniti, W, Yoshida, T, Tsurumura, T, Irikura, D, Tsuge, H. | | 登録日 | 2016-08-23 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | | 主引用文献 | Crystal structure and structure-based mutagenesis of actin-specific ADP-ribosylating toxin CPILE-a as novel enterotoxin
PLoS ONE, 12, 2017
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5YJ8
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4Y42
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5DEX
 | | Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, phenyl-ACEPC | | 分子名称: | 5-[(2R)-2-amino-2-carboxyethyl]-1-phenyl-1H-pyrazole-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ... | | 著者 | Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B. | | 登録日 | 2015-08-26 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits.
Proc. Natl. Acad. Sci. U.S.A., 2017
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