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3MNL
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BU of 3mnl by Molmil
The crystal structure of KstR (Rv3574) from Mycobacterium tuberculosis H37Rv
Descriptor: TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY TETR-FAMILY), TRIETHYLENE GLYCOL
Authors:Gao, C, Bunker, R.D, ten Bokum, A, Kendall, S.L, Stoker, N.G, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-04-21
Release date:2011-04-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Glutamine--fructose-6-phosphate aminotransferase [isomerizing], ZINC ION
Authors:Gao, C, Xiao, J.
Deposit date:2020-12-10
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
Authors:Gao, C, Wei, Y, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite: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
Descriptor: BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
Authors:Gao, C, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: GLYCEROL, Protein E2
Authors:Gao, W.N.D, Gao, C, Graham, S.C.
Deposit date:2021-08-19
Release date:2021-09-01
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, GLYCEROL, Lethal(3)malignant brain tumor-like protein, ...
Authors: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)
Deposit date:2010-10-13
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: 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}
Authors: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)
Deposit date:2011-12-02
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: Aldehyde dehydrogenase protein
Authors:Zhang, Z.L, Gao, C.
Deposit date:2023-04-01
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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
Descriptor: PURVALANOL B, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Clawson, D.K, Gao, C.
Deposit date:2017-11-09
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Serine-protein kinase ATM
Authors:Xiao, J, Liu, M, Qi, Y, Chaban, Y, Gao, C, Tian, Y, Yu, Z, Li, J, Zhang, P, Xu, Y.
Deposit date:2019-06-16
Release date:2019-12-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.27 Å)
Cite:Structural insights into the activation of ATM kinase.
Cell Res., 29, 2019
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
Descriptor: Cullin-3, Kelch repeat and BTB domain-containing protein A55
Authors:Gao, G, Graham, S.C.
Deposit date:2018-11-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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, ...
Authors:Gao, C, Crespi, G.A.N, Gorman, M.A, Nero, T.L, Parker, M.W, Miles, L.A.
Deposit date:2015-06-04
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:NULL
To Be Published
2QJ4
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BU of 2qj4 by Molmil
A Mechanistic Basis for Converting a Receptor Tyrosine Kinase Agonist to an Antagonist
Descriptor: Hepatocyte growth factor, SULFATE ION
Authors:Tolbert, W.D, Daugherty, J, Gao, C.-F, Xe, Q, Miranti, C, Gherardi, E, Vande Woude, G, Xu, H.E.
Deposit date:2007-07-06
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A mechanistic basis for converting a receptor tyrosine kinase agonist to an antagonist
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QJ2
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BU of 2qj2 by Molmil
A Mechanistic Basis for Converting a Receptor Tyrosine Kinase Agonist to an Antagonist
Descriptor: Hepatocyte growth factor, SULFATE ION
Authors:Tolbert, W.D, Daugherty, J, Gao, C.-F, Xe, Q, Miranti, C, Gherardi, E, Vande Woude, G, Xu, H.E.
Deposit date:2007-07-06
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A mechanistic basis for converting a receptor tyrosine kinase agonist to an antagonist
Proc.Natl.Acad.Sci.Usa, 104, 2007
7QDN
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BU of 7qdn by Molmil
Structure of human liver pyruvate kinase from which the B domain has been deleted
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALIC ACID, ...
Authors:Lulla, A, Hyvonen, M.
Deposit date:2021-11-27
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.695 Å)
Cite: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
Descriptor: (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, ...
Authors:Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
Deposit date:2022-01-31
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.964 Å)
Cite:Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
8HP3
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BU of 8hp3 by Molmil
Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis
Descriptor: 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tan, Y, Song, W.
Deposit date:2022-12-11
Release date:2023-12-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
8HP0
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BU of 8hp0 by Molmil
Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION
Authors:Tan, Y, Song, W.
Deposit date:2022-12-11
Release date:2023-12-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
8HPE
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BU of 8hpe by Molmil
Crystal structure of Leucine dehydrogenase
Descriptor: GLYCEROL, Leucine dehydrogenase, SULFATE ION
Authors:Li, X, Song, W.
Deposit date:2022-12-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
8HR6
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BU of 8hr6 by Molmil
leucine DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ from Bacillus thuringiensis
Descriptor: Leucine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Li, X, Song, W.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
7VVX
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BU of 7vvx by Molmil
MmtN-SAH-Met complex
Descriptor: METHIONINE, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Zhang, Y.Z, Peng, M, Li, C.Y.
Deposit date:2021-11-09
Release date:2022-04-20
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
7VVV
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BU of 7vvv by Molmil
Crystal structure of MmtN
Descriptor: PHOSPHATE ION, SAM-dependent methyltransferase
Authors:Peng, M, Li, C.Y.
Deposit date:2021-11-09
Release date:2022-04-20
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
7VVW
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BU of 7vvw by Molmil
MmtN-SAM complex
Descriptor: GLYCEROL, PHOSPHATE ION, S-ADENOSYLMETHIONINE, ...
Authors:Zhang, Y.Z, Peng, M, Li, C.Y.
Deposit date:2021-11-09
Release date:2022-04-20
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
3C2S
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BU of 3c2s by Molmil
Structural Characterization of a Human Fc Fragment Engineered for Lack of Effector Functions
Descriptor: 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
Authors:Oganesyan, V, Wu, H, Dall'Acqua, W.F.
Deposit date:2008-01-25
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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)
Descriptor: hypothetical protein RV2626C
Authors:Sharpe, M.L, Baker, E.N, Lott, J.S.
Deposit date:2004-12-02
Release date:2005-11-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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

 

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