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3OEC
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Crystal structure of carveol dehydrogenase from Mycobacterium thermoresistibile
分子名称: Carveol dehydrogenase (MythA.01326.c, A0R518 homolog), SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-08-12
公開日2010-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3PGX
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Crystal structure of a putative carveol dehydrogenase from Mycobacterium paratuberculosis bound to nicotinamide adenine dinucleotide
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, carveol dehydrogenase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-11-02
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3HQA
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BU of 3hqa by Molmil
Crystal structure of human desarg-C5A
分子名称: Complement C5
著者Cook, W.J, Ealick, S.E.
登録日2009-06-05
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Structure of human desArg-C5a.
Acta Crystallogr.,Sect.D, 66, 2010
3LNX
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BU of 3lnx by Molmil
Second PDZ domain from human PTP1E
分子名称: IODIDE ION, THIOCYANATE ION, Tyrosine-protein phosphatase non-receptor type 13
著者Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG)
登録日2010-02-03
公開日2010-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E.
Biochemistry, 49, 2010
3PXX
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BU of 3pxx by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium avium bound to nicotinamide adenine dinucleotide
分子名称: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-12-10
公開日2010-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
4KZ3
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Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid)
分子名称: 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZB
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Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine)
分子名称: Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ8
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Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione)
分子名称: 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ4
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Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid)
分子名称: 2-[(propylsulfonyl)amino]benzoic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ5
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Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine)
分子名称: Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4ONR
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BU of 4onr by Molmil
Crystal structure of Borrelia burgdorferi decorin-binding protein DbpA
分子名称: DECORIN-BINDING PROTEIN DbpA, NICKEL (II) ION
著者Tomchick, D.R, Deka, R.K, Blevins, J.S.
登録日2014-01-28
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of Lysine Residues in the Borrelia burgdorferi DbpA Adhesin Required for Murine Infection.
Infect.Immun., 82, 2014
4KZA
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Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid)
分子名称: 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ6
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BU of 4kz6 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid)
分子名称: (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ7
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Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)
分子名称: (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ9
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BU of 4kz9 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol)
分子名称: (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
9BRX
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BU of 9brx by Molmil
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 10
分子名称: (4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-amine, Papain-like protease nsp3, SULFATE ION, ...
著者Amporndanai, K, Zhao, B, Fesik, S.W.
登録日2024-05-11
公開日2024-07-31
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PL pro ).
Acs Med.Chem.Lett., 15, 2024
9BRV
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BU of 9brv by Molmil
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 5
分子名称: CHLORIDE ION, N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea, Papain-like protease nsp3, ...
著者Amporndanai, K, Zhao, B, Fesik, S.W.
登録日2024-05-11
公開日2024-07-31
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PL pro ).
Acs Med.Chem.Lett., 15, 2024
9C66
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BU of 9c66 by Molmil
Structure of the Mena EVH1 domain bound to the polyproline segment of PTP1B
分子名称: 1,2-ETHANEDIOL, Protein enabled homolog, SULFATE ION, ...
著者LaComb, L, Fedorov, E, Bonanno, J.B, Almo, S.C, Ghosh, A.
登録日2024-06-07
公開日2024-08-28
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Insights into the Interaction Landscape of the EVH1 Domain of Mena.
Biochemistry, 63, 2024
9BRW
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BU of 9brw by Molmil
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 7
分子名称: CHLORIDE ION, N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Papain-like protease nsp3, ...
著者Amporndanai, K, Zhao, B, Fesik, S.W.
登録日2024-05-11
公開日2024-07-31
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PL pro ).
Acs Med.Chem.Lett., 15, 2024
4Y0G
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BU of 4y0g by Molmil
beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK)
分子名称: 5'-AMP-activated protein kinase subunit beta-2, GLYCEROL
著者Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
登録日2015-02-06
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
4YEF
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BU of 4yef by Molmil
beta1 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclododextrin
分子名称: 5'-AMP-activated protein kinase subunit beta-1, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ...
著者Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
登録日2015-02-24
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
4YEE
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BU of 4yee by Molmil
beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclodextrin
分子名称: 5'-AMP-activated protein kinase subunit beta-2, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose, GLYCEROL
著者Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
登録日2015-02-24
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
8FPW
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BU of 8fpw by Molmil
Crystal structure of tumor related RhoA mutant A161V in complex with GDP
分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lin, Y, Zheng, Y.
登録日2023-01-05
公開日2024-06-05
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024
8FPX
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Crystal structure of tumor related RhoA mutant A161P in complex with GDP
分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lin, Y, Zheng, Y.
登録日2023-01-05
公開日2024-06-05
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024
3F1P
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Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains
分子名称: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
登録日2008-10-28
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009

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件を2024-09-25に公開中

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