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6D1A
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BU of 6d1a by Molmil
Crystal structure of NDM-1 complexed with compound 1
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6CSU
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BU of 6csu by Molmil
The structure of the Cep63-Cep152 heterotetrameric complex
分子名称: Centrosomal protein of 152 kDa, Centrosomal protein of 63 kDa
著者Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S.
登録日2018-03-21
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular architecture of a cylindrical self-assembly at human centrosomes.
Nat Commun, 10, 2019
6D19
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BU of 6d19 by Molmil
Crystal structure of KPC-2 complexed with compound 9
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D17
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BU of 6d17 by Molmil
Crystal structure of KPC-2 complexed with compound 3
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
7X3M
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BU of 7x3m by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
分子名称: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
登録日2022-03-01
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7X3L
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BU of 7x3l by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044
分子名称: (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
登録日2022-03-01
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
6D18
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BU of 6d18 by Molmil
Crystal structure of KPC-2 complexed with compound 6
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
1SQH
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BU of 1sqh by Molmil
X-RAY STRUCTURE OF DROSOPHILA MALONOGASTER PROTEIN Q9VR51 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET FR87.
分子名称: hypothetical protein CG14615-PA
著者Kuzin, A.P, Chen, Y, Forouhar, F, Acton, T.B, Xiao, R, Cooper, B, Ho, C.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2004-03-18
公開日2004-04-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-RAY STRUCTURE OF DROSOPHILA MALONOGASTER PROTEIN Q9VR51 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET FR87
To be Published
1SQ4
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BU of 1sq4 by Molmil
Crystal Structure of the Putative Glyoxylate Induced Protein from Pseudomonas aeruginosa, Northeast Structural Genomics Target PaR14
分子名称: Glyoxylate-induced Protein, THIOCYANATE ION
著者Forouhar, F, Chen, Y, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-03-17
公開日2004-04-06
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of the Putative Glyoxylate Induced Protein from Pseudomonas aeruginosa, Northeast Structural Genomics Target PaR14
To be Published
4ADN
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BU of 4adn by Molmil
Fusidic acid resistance protein FusB
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FAR1, ...
著者Guo, X, Peisker, K, Backbro, K, Chen, Y, Kiran, R.K, Sanyal, S, Selmer, M.
登録日2011-12-31
公開日2012-03-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and Function of Fusb: An Elongation Factor G-Binding Fusidic Acid Resistance Protein Active in Ribosomal Translocation and Recycling
Open Biol., 2, 2012
3AIH
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BU of 3aih by Molmil
Human OS-9 MRH domain complexed with alpha3,alpha6-Man5
分子名称: Protein OS-9, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose
著者Satoh, T, Chen, Y, Hu, D, Hanashima, S, Yamamoto, K, Yamaguchi, Y.
登録日2010-05-14
公開日2010-12-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Oligosaccharide Recognition of Misfolded Glycoproteins by OS-9 in ER-Associated Degradation
Mol.Cell, 40, 2010
1T0T
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BU of 1t0t by Molmil
Crystallographic structure of a putative chlorite dismutase
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, APC35880, MAGNESIUM ION
著者Gilski, M, Borek, D, Chen, Y, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG)
登録日2004-04-12
公開日2004-08-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of APC35880 protein from Bacillus Stearothermophilus
To be Published
4U1Q
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BU of 4u1q by Molmil
Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with 3HK and SAH
分子名称: (2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid, S-ADENOSYL-L-HOMOCYSTEINE, SibL
著者liu, J.S, Chen, S.C, Yang, C.S, Huang, C.H, Chen, Y.
登録日2014-07-16
公開日2015-08-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with 3HK and SAH
To Be Published
4F12
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BU of 4f12 by Molmil
Crystal structure of the extracellular domain of human GABA(B) receptor GBR2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 2
著者Geng, Y, Xiong, D, Mosyak, L, Malito, D.L, Kniazeff, J, Chen, Y, Burmakina, S, Quick, M, Bush, M, Javitch, J.A, Pin, J.-P, Fan, Q.R.
登録日2012-05-05
公開日2012-06-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structure and functional interaction of the extracellular domain of human GABA(B) receptor GBR2.
Nat.Neurosci., 15, 2012
2QIK
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BU of 2qik by Molmil
Crystal structure of YkqA from Bacillus subtilis. Northeast Structural Genomics Target SR631
分子名称: CITRIC ACID, UPF0131 protein ykqA
著者Benach, J, Chen, Y, Forouhar, F, Seetharaman, J, Baran, M.C, Cunningham, K, Ma, L.-C, Owens, L, Chen, C.X, Rong, X, Janjua, H, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-07-05
公開日2007-07-24
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of YkqA from Bacillus subtilis.
To be Published
3HX1
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BU of 3hx1 by Molmil
Crystal structure of the Slr1951 protein from Synechocystis sp. Northeast Structural Genomics Consortium Target SgR167A
分子名称: Slr1951 protein
著者Vorobiev, S, Chen, Y, Seetharaman, J, Janjua, J, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2009-06-19
公開日2009-06-30
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the Slr1951 protein from Synechocystis sp.
To be Published
3QJV
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BU of 3qjv by Molmil
The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus
分子名称: CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A.
登録日2011-01-30
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
5XFJ
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BU of 5xfj by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550M)
分子名称: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
著者Wu, D, Chen, Y.
登録日2017-04-10
公開日2018-08-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
5XP5
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BU of 5xp5 by Molmil
C-Src in complex with ATP-Chf
分子名称: MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
著者Duan, Y, Guo, M, Dai, S, Chen, L, Chen, Y.
登録日2017-06-01
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
3QJR
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BU of 3qjr by Molmil
The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus
分子名称: CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A.
登録日2011-01-30
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
3QJS
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BU of 3qjs by Molmil
The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus
分子名称: CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A.
登録日2011-01-30
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
6LC1
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BU of 6lc1 by Molmil
Structural basis of NR4A1 bound to the human pituitary proopiomelanocortin gene promoter
分子名称: DNA, DNA (25-MER), Nuclear receptor subfamily 4 group A member 1, ...
著者Jiang, L, Chen, Y.
登録日2019-11-16
公開日2019-12-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structural basis of NR4A1 bound to the human pituitary proopiomelanocortin gene promoter.
Biochem.Biophys.Res.Commun., 523, 2020
5XFF
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BU of 5xff by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L)
分子名称: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
著者Wu, D, Chen, Y.
登録日2017-04-10
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
3QJT
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BU of 3qjt by Molmil
The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus
分子名称: CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A.
登録日2011-01-30
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
3HXJ
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BU of 3hxj by Molmil
Crystal Structure of Pyrrolo-quinoline quinone (PQQ_DH) from Methanococcus maripaludis, Northeast Structural Genomics Consortium Target MrR86
分子名称: Pyrrolo-quinoline quinone, SULFATE ION
著者Forouhar, F, Chen, Y, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Foote, E.L, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2009-06-20
公開日2009-08-25
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Northeast Structural Genomics Consortium Target MrR86
To be Published

222415

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