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3MNL
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BU of 3mnl by Molmil
The crystal structure of KstR (Rv3574) from Mycobacterium tuberculosis H37Rv
分子名称: TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY TETR-FAMILY), TRIETHYLENE GLYCOL
著者Gao, C, Bunker, R.D, ten Bokum, A, Kendall, S.L, Stoker, N.G, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2010-04-21
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J. Biol. Chem., 291, 2016
7DNR
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BU of 7dnr by Molmil
Crystal Structure of Zn-bound SIS Domain of Glucosamine-6-P Synthase from E. coli
分子名称: Glutamine--fructose-6-phosphate aminotransferase [isomerizing], ZINC ION
著者Gao, C, Xiao, J.
登録日2020-12-10
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Metal-binding Proteins by Thermal Proteome Profiling
To Be Published
7E88
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BU of 7e88 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-515 Fab
分子名称: BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
著者Gao, C, Wei, Y, Xiao, J.
登録日2021-03-01
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E86
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BU of 7e86 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-508 Fab
分子名称: BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
著者Gao, C, Xiao, J.
登録日2021-03-01
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7PHY
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BU of 7phy by Molmil
Vaccinia virus E2
分子名称: GLYCEROL, Protein E2
著者Gao, W.N.D, Gao, C, Graham, S.C.
登録日2021-08-19
公開日2021-09-01
最終更新日2022-02-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of vaccinia virus protein E2 and perspectives on the prediction of novel viral protein folds.
J.Gen.Virol., 103, 2022
3P8H
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BU of 3p8h by Molmil
Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist
分子名称: 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, GLYCEROL, Lethal(3)malignant brain tumor-like protein, ...
著者Lam, R, Herold, J.M, Ouyang, H, Tempel, W, Gao, C, Ravichandran, M, Senisterra, G, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Kireev, D, Frye, S.V, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2010-10-13
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Small-molecule ligands of methyl-lysine binding proteins.
J.Med.Chem., 54, 2011
3UWN
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BU of 3uwn by Molmil
The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic
分子名称: Lethal(3)malignant brain tumor-like protein 1, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}
著者Zhong, N, Tempel, W, Wernimont, A.K, Graslund, S, Ingerman, L.A, Korboukh, V, Kireev, D.B, Gao, C, Frye, S.V, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-12-02
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic
To be Published
8IXI
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BU of 8ixi by Molmil
Crystal structure of aldehyde dehydrogenase (EC 1.2.1.3) Klebsiella pneumoniae
分子名称: Aldehyde dehydrogenase protein
著者Zhang, Z.L, Gao, C.
登録日2023-04-01
公開日2024-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Systems engineering of Escherichia coli for high-level glutarate production from glucose.
Nat Commun, 15, 2024
6BL8
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BU of 6bl8 by Molmil
Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models
分子名称: PURVALANOL B, SULFATE ION, Tyrosine-protein kinase ABL1
著者Clawson, D.K, Gao, C.
登録日2017-11-09
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
J Chem Theory Comput, 14, 2018
6K9L
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BU of 6k9l by Molmil
4.27 Angstrom resolution cryo-EM structure of human dimeric ATM kinase
分子名称: Serine-protein kinase ATM
著者Xiao, J, Liu, M, Qi, Y, Chaban, Y, Gao, C, Tian, Y, Yu, Z, Li, J, Zhang, P, Xu, Y.
登録日2019-06-16
公開日2019-12-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.27 Å)
主引用文献Structural insights into the activation of ATM kinase.
Cell Res., 29, 2019
1N4H
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BU of 1n4h by Molmil
Characterization of ligands for the orphan nuclear receptor RORbeta
分子名称: Nuclear Receptor ROR-beta, RETINOIC ACID, Steroid Receptor Coactivator-1
著者Stehlin-Gaon, C, Willmann, D, Sanglier, S, Van Dorsselaer, A, Renaud, J.-P, Moras, D, Schuele, R.
登録日2002-10-31
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献All-trans retinoic acid is a ligand for the orphan nuclear receptor RORbeta
Nat.Struct.Biol., 10, 2003
1NQ7
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BU of 1nq7 by Molmil
Characterization of ligands for the orphan nuclear receptor RORbeta
分子名称: 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-2,4,6-TRIENOIC ACID, NUCLEAR RECEPTOR ROR-BETA, STEROID RECEPTOR COACTIVATOR-1
著者Stehlin-Gaon, C, Willmann, D, Sanglier, S, Van Dorsselaer, A, Renaud, J.-P, Moras, D, Schuele, R.
登録日2003-01-21
公開日2003-09-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献All-trans retinoic acid is a ligand for the orphan nuclear receptor RORbeta
Nat.Struct.Biol., 10, 2003
6I2M
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BU of 6i2m by Molmil
Crystal structure of vaccinia virus protein A55 BTB-Back domain in complex with human Cullin-3 N-terminus
分子名称: Cullin-3, Kelch repeat and BTB domain-containing protein A55
著者Gao, G, Graham, S.C.
登録日2018-11-01
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of cullin-3 (Cul3) ubiquitin ligase subversion by vaccinia virus protein A55.
J.Biol.Chem., 294, 2019
5BUO
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BU of 5buo by Molmil
A receptor molecule
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACETATE ION, Amyloid beta A4 protein, ...
著者Gao, C, Crespi, G.A.N, Gorman, M.A, Nero, T.L, Parker, M.W, Miles, L.A.
登録日2015-06-04
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献NULL
To Be Published
2QJ2
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BU of 2qj2 by Molmil
A Mechanistic Basis for Converting a Receptor Tyrosine Kinase Agonist to an Antagonist
分子名称: Hepatocyte growth factor, SULFATE ION
著者Tolbert, W.D, Daugherty, J, Gao, C.-F, Xe, Q, Miranti, C, Gherardi, E, Vande Woude, G, Xu, H.E.
登録日2007-07-06
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A mechanistic basis for converting a receptor tyrosine kinase agonist to an antagonist
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QJ4
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BU of 2qj4 by Molmil
A Mechanistic Basis for Converting a Receptor Tyrosine Kinase Agonist to an Antagonist
分子名称: Hepatocyte growth factor, SULFATE ION
著者Tolbert, W.D, Daugherty, J, Gao, C.-F, Xe, Q, Miranti, C, Gherardi, E, Vande Woude, G, Xu, H.E.
登録日2007-07-06
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A mechanistic basis for converting a receptor tyrosine kinase agonist to an antagonist
Proc.Natl.Acad.Sci.Usa, 104, 2007
1A3L
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BU of 1a3l by Molmil
CATALYSIS OF A DISFAVORED REACTION: AN ANTIBODY EXO DIELS-ALDERASE-TSA-INHIBITOR COMPLEX AT 1.95 A RESOLUTION
分子名称: 1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBONYL]FERROCENE, IMMUNOGLOBULIN FAB 13G5 (HEAVY CHAIN), IMMUNOGLOBULIN FAB 13G5 (LIGHT CHAIN)
著者Heine, A, Wilson, I.A.
登録日1998-01-22
公開日1999-02-16
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An antibody exo Diels-Alderase inhibitor complex at 1.95 angstrom resolution.
Science, 279, 1998
6J04
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BU of 6j04 by Molmil
Crystal structure of full length human LC3B delta G120 mutant (2_125)
分子名称: Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
著者Ding, Y, Lu, B.X, Wang, Z.Y.
登録日2018-12-21
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Allele-selective lowering of mutant HTT protein by HTT-LC3 linker compounds
Nature, 575, 2019
7QDN
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BU of 7qdn by Molmil
Structure of human liver pyruvate kinase from which the B domain has been deleted
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALIC ACID, ...
著者Lulla, A, Hyvonen, M.
登録日2021-11-27
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
7QZU
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BU of 7qzu by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 47
分子名称: (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2022-01-31
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.964 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
3C2S
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BU of 3c2s by Molmil
Structural Characterization of a Human Fc Fragment Engineered for Lack of Effector Functions
分子名称: IGHM protein, ZINC ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Oganesyan, V, Wu, H, Dall'Acqua, W.F.
登録日2008-01-25
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural characterization of a human Fc fragment engineered for lack of effector functions.
Acta Crystallogr.,Sect.D, 64, 2008
1Y5H
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BU of 1y5h by Molmil
Crystal structure of truncated Se-Met Hypoxic Response Protein I (HRPI)
分子名称: hypothetical protein RV2626C
著者Sharpe, M.L, Baker, E.N, Lott, J.S.
登録日2004-12-02
公開日2005-11-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure and unusual protein chemistry of hypoxic response protein 1, a latency antigen and highly expressed member of the DosR regulon in Mycobacterium tuberculosis
J.Mol.Biol., 383, 2008
6VEO
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BU of 6veo by Molmil
ATAD2B bromodomain in complex with 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione (compound 38)
分子名称: 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione, ATPase family AAA domain-containing protein 2B, SULFATE ION
著者Glass, K.C.
登録日2020-01-02
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into the Recognition of Mono- and Diacetylated Histones by the ATAD2B Bromodomain.
J.Med.Chem., 63, 2020
5SCK
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BU of 5sck by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 42
分子名称: 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCI
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BU of 5sci by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 105
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022

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