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1VCZ
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Crystal structure of the RNase NT in complex with 5'-GMP
分子名称: GUANOSINE-5'-MONOPHOSPHATE, RNase NGR3
著者Kawano, S, Kakuta, Y, Kimura, M.
登録日2004-03-17
公開日2005-04-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Nicotiana glutinosa Ribonuclease NT in Complex with Nucleotide Monophosphates
to be published
1MOP
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Crystal Structure of a Pantothenate Synthetase from M. tuberculosis
分子名称: ETHANOL, GLYCEROL, SULFATE ION, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-09-09
公開日2003-03-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of a Pantothenate Synthetase from M. tuberculosis and its Complexes with Substrates and a Reaction Intermediate
Protein Sci., 12, 2003
1N2I
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Crystal Structure of Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate, different occupancies of pantoyl adenylate
分子名称: ETHANOL, GLYCEROL, PANTOYL ADENYLATE, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2H
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Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate
分子名称: ETHANOL, GLYCEROL, MANGANESE (II) ION, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2G
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Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2E
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Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2J
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BU of 1n2j by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with pantoate
分子名称: BETA-ALANINE, ETHANOL, GLYCEROL, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-22
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
4ZW0
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BU of 4zw0 by Molmil
Crystal structure of beta-Hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Candidatus asiaticum
分子名称: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
著者Wang, S, Gao, Z, Jiang, L, Dong, Y.H.
登録日2015-05-19
公開日2015-12-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Beta-Hydroxyacyl-acyl Carrier Protein Dehydratase (FabZ) from Candidatus Liberibacter Asiaticum: Protein Characterization and Structural Modeling
Austin J Microbiol., 1, 2015
5WOR
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Corkscrew assembly of SOD1 residues 28-38 with familial mutation G37R
分子名称: GLYCEROL, MALONATE ION, Superoxide dismutase [Cu-Zn]
著者Sangwan, S, Sawaya, M.R, Eisenberg, D.S.
登録日2017-08-02
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Atomic structures of corkscrew-forming segments of SOD1 reveal varied oligomer conformations.
Protein Sci., 27, 2018
5WMJ
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KVWGSI segment from Superoxide Dismutase 1,residues 30-35
分子名称: Superoxide dismutase [Cu-Zn], trifluoroacetic acid
著者Sangwan, S, Sawaya, M, Eisenberg, D.
登録日2017-07-28
公開日2018-03-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Atomic structures of corkscrew-forming segments of SOD1 reveal varied oligomer conformations.
Protein Sci., 27, 2018
5IIW
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Corkscrew assembly of SOD1 residues 28-38 without potassium iodide
分子名称: Superoxide dismutase [Cu-Zn]
著者Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D.
登録日2016-03-01
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS).
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1PXO
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BU of 1pxo by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
分子名称: Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
著者Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXM
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BU of 1pxm by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
分子名称: 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2
著者Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXN
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
分子名称: 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2
著者Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXP
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine
分子名称: Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
著者Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
4DQM
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Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity
分子名称: (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
著者Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y.
登録日2012-02-16
公開日2012-10-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells.
Biochem.J., 446, 2012
3LC3
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Benzothiophene Inhibitors of Factor IXa
分子名称: 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION, Coagulation factor IX
著者Wang, S, Beck, R.
登録日2010-01-09
公開日2010-02-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Studies of Benzothiophene Template as Potent Factor IXa (FIXa) Inhibitors in Thrombosis.
J.Med.Chem., 53, 2010
3LC5
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Selective Benzothiophine Inhibitors of Factor IXa
分子名称: 1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine, CALCIUM ION, Coagulation factor IX
著者Wang, S, Beck, R.
登録日2010-01-09
公開日2010-02-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure Based Drug Design: Development of Potent and Selective Factor IXa (FIXa) Inhibitors.
J.Med.Chem., 53, 2010
8G4M
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Vaccine-elicited human antibody 2C06 in complex with HIV-1 envelope trimer BG505 DS-SOSIP
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, Envelope glycoprotein gp120, ...
著者Wang, S, Morano, N.C, Shapiro, L, Kwong, P.D.
登録日2023-02-10
公開日2023-07-12
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide.
Cell Rep, 42, 2023
8G4T
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Vaccine-elicited human antibody 2C09 in complex with HIV-1 envelope trimer BG505 DS-SOSIP
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, Envelope glycoprotein BG505 DS-SOSIP gp120, ...
著者Wang, S, Kwong, P.D.
登録日2023-02-10
公開日2023-07-12
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide.
Cell Rep, 42, 2023
8OPX
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Trehalose (Fragment-B-TRE)
分子名称: 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-10
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQO
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-49
分子名称: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQL
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1
分子名称: 3-hydroxyacyl-CoA dehydrogenase, FORMAMIDE, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OPU
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Sulfamethoxazole (Fragment-B-E1)
分子名称: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-10
公開日2024-01-24
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OPW
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Caffeine (Fragment-B-51)
分子名称: 3-hydroxyacyl-CoA dehydrogenase, CAFFEINE, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-10
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024

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