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4QVG
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BU of 4qvg by Molmil
Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in its apo form
分子名称: SibL
著者Liu, J.S, Chen, S.C, Huang, C.H, Yang, C.S, Chen, Y.
登録日2014-07-15
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and mechanism of an antibiotics-synthesizing 3-hydroxykynurenine C-methyltransferase
Sci Rep, 5, 2015
4H9D
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BU of 4h9d by Molmil
Crystal Structure of Mn-dependent Gme HNH nicking endonuclease from Geobacter metallireducens GS-15, Northeast Structural Genomics Consortium (NESG) Target GmR87
分子名称: HNH endonuclease, MAGNESIUM ION, ZINC ION
著者Kuzin, A, Chen, Y, Seetharaman, J, Fang, F, Xiao, R, Cunningham, K, Ma, L, Owens, L, Chen, C.X, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2012-09-24
公開日2012-10-10
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Northeast Structural Genomics Consortium Target GmR87
To be Published
1T3H
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BU of 1t3h by Molmil
X-ray Structure of Dephospho-CoA Kinase from E. coli Norteast Structural Genomics Consortium Target ER57
分子名称: Dephospho-CoA kinase, SULFATE ION
著者Kuzin, A.P, Chen, Y, Forouhar, F, Edstrom, W, Benach, J, Vorobiev, S, Acton, T, Shastry, R, Ma, L.-C, Xia, R, Montelione, G, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG)
登録日2004-04-26
公開日2004-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray Structure of Dephospho-CoA Kinase from E. coli Norteast Structural Genomics Consortium Target ER57
TO BE PUBLISHED
7VGJ
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BU of 7vgj by Molmil
Cryo-EM structure of the human P4-type flippase ATP8B1-CDC50A in the auto-inhibited E2Pi-PS state
分子名称: Cell cycle control protein 50A, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, Phospholipid-transporting ATPase IC
著者Chen, M.T, Chen, Y, Chen, Z.P, Zhou, C.Z, Hou, W.T, Chen, Y.
登録日2021-09-16
公開日2022-03-30
最終更新日2022-10-12
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Structural insights into the activation of autoinhibited human lipid flippase ATP8B1 upon substrate binding.
Proc.Natl.Acad.Sci.USA, 119, 2022
8SPJ
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BU of 8spj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) N28T Mutant
分子名称: 3C-like proteinase nsp5
著者Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
登録日2023-05-03
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) N28T Mutant
To Be Published
1R78
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BU of 1r78 by Molmil
CDK2 complex with a 4-alkynyl oxindole inhibitor
分子名称: 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2
著者Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A.
登録日2003-10-20
公開日2004-01-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A new series of potent oxindole inhibitors of CDK2
Bioorg.Med.Chem.Lett., 14, 2004
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
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
4BVD
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BU of 4bvd by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide, APOLIPOPROTEIN(A), CHLORIDE ION
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-25
公開日2014-07-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4CXY
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BU of 4cxy by Molmil
Crystal structure of human FTO in complex with acylhydrazine inhibitor 21
分子名称: (E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
著者Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
登録日2014-04-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4CXX
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BU of 4cxx by Molmil
Crystal structure of human FTO in complex with acylhydrazine inhibitor 16
分子名称: (2E)-4-{N'-[4-(4-tert-Butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
著者Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
登録日2014-04-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
7YBF
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BU of 7ybf by Molmil
Crystal structure of inner membrane protein Sad1 in complex with histone H2A-H2B
分子名称: Histone H2B-alpha,Histone H2A-beta, Spindle pole body-associated protein sad1
著者Sun, W, Hu, C, Chen, Y.
登録日2022-06-29
公開日2024-01-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of inner membrane protein Sad1 in complex with histone H2A-H2B
To Be Published
4DDS
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BU of 4dds by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11
分子名称: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
6UN3
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BU of 6un3 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ...
著者Sacco, M, Chen, Y.
登録日2019-10-10
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
5A9X
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BU of 5a9x by Molmil
Structure of GDP bound BipA
分子名称: GTP-BINDING PROTEIN, GUANOSINE-5'-DIPHOSPHATE
著者Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.-G.
登録日2015-07-23
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
6UN1
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BU of 6un1 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin
分子名称: (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Sacco, M, Chen, Y.
登録日2019-10-10
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
4BV7
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BU of 4bv7 by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 3-(4-piperidyl)propanoic acid, ACETATE ION, APOLIPOPROTEIN(A)
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-25
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVC
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BU of 4bvc by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE, APOLIPOPROTEIN(A), CHLORIDE ION, ...
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-25
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
1WYZ
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BU of 1wyz by Molmil
X-Ray structure of the putative methyltransferase from Bacteroides thetaiotaomicron VPI-5482 at the resolution 2.5 A. Norteast Structural Genomics Consortium target Btr28
分子名称: putative S-adenosylmethionine-dependent methyltransferase
著者Kuzin, A.P, Chen, Y, Forouhar, F, Vorobiev, S.M, Acton, T, Ma, L.-C, Xiao, R, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-02-21
公開日2005-03-08
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-Ray structure of the putative methyltransferase from Bacteroides thetaiotaomicron VPI-5482 at the resolution 2.5 A. Norteast Structural Genomics Consortium target Btr28
To be Published
4DE0
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BU of 4de0 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 16
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
著者Nichols, D.N, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
6V1M
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BU of 6v1m by Molmil
Structure of NDM-1 bound to QPX7728 at 1.05 A
分子名称: (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Pemberton, O.A, Chen, Y.
登録日2019-11-20
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
1XBF
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BU of 1xbf by Molmil
X-RAY STRUCTURE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET CAR10 FROM C. ACETOBUTYLICUM
分子名称: Clostridium acetobutylicum Q97KL0, SULFATE ION
著者Kuzin, A.P, Chen, Y, Vorobiev, S, Yong, W, Acton, T, Ho, C.-K, Conover, K, Cooper, B, Ciano, M, Xiao, R, Montelione, G, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG)
登録日2004-08-30
公開日2004-09-14
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 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET CAR10 FROM C. ACETOBUTYLICUM
To be published
4DSR
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BU of 4dsr by Molmil
Crystal structure of peroxiredoxin Ahp1 from Saccharomyces cerevisiae in reduced form
分子名称: Peroxiredoxin type-2
著者Lian, F.M, Yu, J, Ma, X.X, Yu, X.J, Chen, Y, Zhou, C.Z.
登録日2012-02-19
公開日2012-04-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structural Snapshots of Yeast Alkyl Hydroperoxide Reductase Ahp1 Peroxiredoxin Reveal a Novel Two-cysteine Mechanism of Electron Transfer to Eliminate Reactive Oxygen Species.
J.Biol.Chem., 287, 2012

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