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7RN1
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BU of 7rn1 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R
分子名称: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide, ...
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-09-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
4UA7
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BU of 4ua7 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
分子名称: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
著者Nichols, D.A, Chen, Y.
登録日2014-08-08
公開日2015-06-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
6Y9C
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BU of 6y9c by Molmil
The structure of a quaternary ammonium Rieske monooxygenase reveals insights into carnitine oxidation by gut microbiota and inter-subunit electron transfer
分子名称: CARNITINE, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
著者Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y.
登録日2020-03-06
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterisation of an unusual cysteine pair in the Rieske carnitine monooxygenase CntA catalytic site.
Febs J., 2023
6ZGP
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BU of 6zgp by Molmil
Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
著者Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
4V8U
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BU of 4v8u by Molmil
Crystal Structure of 70S Ribosome with Both Cognate tRNAs in the E and P Sites Representing an Authentic Elongation Complex.
分子名称: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Gao, Y.G, Feng, S, Chen, Y.
登録日2012-08-28
公開日2014-07-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Crystal structure of 70S ribosome with both cognate tRNAs in the E and P sites representing an authentic elongation complex.
PLoS ONE, 8, 2013
3K9R
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BU of 3k9r by Molmil
X-ray structure of the Rhodanese-like domain of the Alr3790 protein from Anabaena sp. Northeast Structural Genomics Consortium Target NsR437c.
分子名称: Alr3790 protein
著者Vorobiev, S, Chen, Y, Seetharaman, J, Maglaqui, M, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-10-16
公開日2009-10-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献X-ray structure of the Rhodanese-like domain of the Alr3790 protein from Anabaena sp.
To be Published
1U9C
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BU of 1u9c by Molmil
Crystallographic structure of APC35852
分子名称: APC35852
著者Borek, D, Chen, Y, Shao, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG)
登録日2004-08-09
公開日2004-10-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural analysis of DJI superfamily
To be Published
1TZ9
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BU of 1tz9 by Molmil
Crystal Structure of the Putative Mannonate Dehydratase from Enterococcus faecalis, Northeast Structural Genomics Target EfR41
分子名称: Mannonate dehydratase
著者Forouhar, F, Chen, Y, Xiao, R, Cooper, B, Shastry, R, Acton, T.A, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-07-09
公開日2004-07-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of the Putative Mannonate Dehydratase from Enterococcus faecalis, Northeast Structural Genomics Target EfR41
To be Published
5Y2V
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BU of 5y2v by Molmil
Strcutrue of the full-length CcmR complexed with 2-OG from Synechocystis PCC6803
分子名称: 2-OXOGLUTARIC ACID, PHOSPHATE ION, Rubisco operon transcriptional regulator
著者Jiang, Y.L, Wang, X.P, Sun, H, Cheng, W, Han, S.J, Li, W.F, Chen, Y, Zhou, C.Z.
登録日2017-07-27
公開日2017-12-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Coordinating carbon and nitrogen metabolic signaling through the cyanobacterial global repressor NdhR.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3D5N
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BU of 3d5n by Molmil
Crystal structure of the Q97W15_SULSO protein from Sulfolobus solfataricus. NESG target SsR125.
分子名称: Q97W15_SULSO
著者Vorobiev, S.M, Chen, Y, Seetharaman, J, Lee, D, Foote, R.E, Maglaqui, M, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2008-05-16
公開日2008-07-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the Q97W15_SULSO protein from Sulfolobus solfataricus. NESG target SsR125.
To be Published
3CEU
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BU of 3ceu by Molmil
Crystal structure of thiamine phosphate pyrophosphorylase (BT_0647) from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR268
分子名称: Thiamine phosphate pyrophosphorylase
著者Forouhar, F, Chen, Y, Seetharaman, J, Janjua, H, Mao, L, Xiao, R, Foote, E.L, Maglaqui, M, Ciccosanti, C, Zhao, L, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-02-29
公開日2008-03-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of thiamine phosphate pyrophosphorylase (BT_0647) from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR268.
To be Published
5XU0
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BU of 5xu0 by Molmil
Structure of the membrane fusion protein Spr0693 from Streptococcus pneumoniae R6
分子名称: Membrane-fusion protein
著者Yang, H.B, Jiang, Y.L, Hou, W.T, Chen, M.T, Chen, Y, Zhou, C.Z.
登録日2017-06-22
公開日2018-01-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of a MacAB-like efflux pump from Streptococcus pneumoniae.
Nat Commun, 9, 2018
5XU1
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BU of 5xu1 by Molmil
Structure of a non-canonical ABC transporter from Streptococcus pneumoniae R6
分子名称: ABC transporter ATP-binding protein, ABC transporter permeae, MAGNESIUM ION
著者Yang, H.B, Jiang, Y.L, Hou, W.T, Chen, M.T, Chen, Y, Zhou, C.Z.
登録日2017-06-22
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of a MacAB-like efflux pump from Streptococcus pneumoniae.
Nat Commun, 9, 2018
5K5S
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BU of 5k5s by Molmil
Crystal structure of the active form of human calcium-sensing receptor extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
著者Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
登録日2016-05-23
公開日2016-08-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
7S0V
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BU of 7s0v by Molmil
The role of an Asp-Asp pair in the structure, function and inhibition of CTX-M Class A Beta-lactamase
分子名称: 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase
著者Kemp, M.T, Chen, Y.
登録日2021-08-31
公開日2021-11-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mutation of the conserved Asp-Asp pair impairs the structure, function, and inhibition of CTX-M Class A beta-lactamase.
Febs Lett., 595, 2021
5DEP
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BU of 5dep by Molmil
Structure of Pseudomonas aeruginosa LpxA in complex with UDP-GlcNAc
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Smith, E.W, Chen, Y.
登録日2015-08-25
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity.
Biochemistry, 54, 2015
5DG3
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BU of 5dg3 by Molmil
Structure of Pseudomonas aeruginosa LpxA in complex with UDP-3-O-(R-3-hydroxydecanoyl)-GlcNAc
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, uridine-5'-diphosphate-3-O-(R-3-hydroxydecanoyl)-N-acetyl-D-glucosamine
著者Smith, E.W, Chen, Y.
登録日2015-08-27
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity.
Biochemistry, 54, 2015
4XSQ
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BU of 4xsq by Molmil
Structure of a variable lymphocyte receptor-like protein Bf66946 from Branchiostoma floridae
分子名称: 1,2-ETHANEDIOL, GLYCEROL, variable lymphocyte receptor-like protein Bf66946
著者Cao, D.D, Cheng, W, Jiang, Y.L, Wang, W.J, Li, Q, Chen, Y, Zhou, C.Z.
登録日2015-01-22
公開日2016-03-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of a variable lymphocyte receptor-like protein from the amphioxus Branchiostoma floridae.
Sci Rep, 6, 2016
9ORS
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BU of 9ors by Molmil
MicroED structure of CTX-M-14 beta-lactamase co-crystallized with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
登録日2025-05-22
公開日2025-06-18
実験手法ELECTRON CRYSTALLOGRAPHY (2 Å)
主引用文献Combining MicroED and native mass spectrometry for structural discovert of enzyme-small molecule complexes
To Be Published
9OR7
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BU of 9or7 by Molmil
X-ray diffraction structure of CTX-M-14 beta-lactamase soaked with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
著者Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
登録日2025-05-21
公開日2025-06-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes
To Be Published
9OR3
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BU of 9or3 by Molmil
X-ray diffraction structure of CTX-M-14 beta-lactamase co-crystallized with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ...
著者Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
登録日2025-05-21
公開日2025-06-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes
To Be Published
9ORG
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BU of 9org by Molmil
MicroED structure of apo-form CTX-M-14 beta-lactamase
分子名称: Beta-lactamase
著者Vlahakis, N, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
登録日2025-05-22
公開日2025-06-18
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes
To Be Published
9ORB
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BU of 9orb by Molmil
X-ray diffraction structure of the CTX-M-14 beta-lactamase-avibactam complex an inhibitor cocktail-soaked crystal
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
著者Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
登録日2025-05-21
公開日2025-06-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes
To Be Published
9ORH
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BU of 9orh by Molmil
MicroED structure of the CTX-M-14 beta-lactamase-avibactam complex from inhibitor cocktail-soaked crystals
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Vlahakis, N, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
登録日2025-05-22
公開日2025-06-18
実験手法ELECTRON CRYSTALLOGRAPHY (2 Å)
主引用文献Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecules complexes
To Be Published
9OQE
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BU of 9oqe by Molmil
X-ray diffraction structure of apo-form CTX-M-14 beta-lactamase
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
著者Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
登録日2025-05-20
公開日2025-06-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes
To Be Published

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件を2025-07-09に公開中

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