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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
Descriptor: 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, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-28
Release date:2021-09-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (0.89 Å)
Cite: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
Descriptor: CARNITINE, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
Authors:Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y.
Deposit date:2020-03-06
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
Authors:Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Gao, Y.G, Feng, S, Chen, Y.
Deposit date:2012-08-28
Release date:2014-07-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.7 Å)
Cite: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.
Descriptor: Alr3790 protein
Authors: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)
Deposit date:2009-10-16
Release date:2009-10-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: APC35852
Authors:Borek, D, Chen, Y, Shao, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-08-09
Release date:2004-10-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: Mannonate dehydratase
Authors: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)
Deposit date:2004-07-09
Release date:2004-07-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 2-OXOGLUTARIC ACID, PHOSPHATE ION, Rubisco operon transcriptional regulator
Authors:Jiang, Y.L, Wang, X.P, Sun, H, Cheng, W, Han, S.J, Li, W.F, Chen, Y, Zhou, C.Z.
Deposit date:2017-07-27
Release date:2017-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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.
Descriptor: Q97W15_SULSO
Authors: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)
Deposit date:2008-05-16
Release date:2008-07-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Thiamine phosphate pyrophosphorylase
Authors: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)
Deposit date:2008-02-29
Release date:2008-03-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Membrane-fusion protein
Authors:Yang, H.B, Jiang, Y.L, Hou, W.T, Chen, M.T, Chen, Y, Zhou, C.Z.
Deposit date:2017-06-22
Release date:2018-01-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: ABC transporter ATP-binding protein, ABC transporter permeae, MAGNESIUM ION
Authors:Yang, H.B, Jiang, Y.L, Hou, W.T, Chen, M.T, Chen, Y, Zhou, C.Z.
Deposit date:2017-06-22
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
Authors: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.
Deposit date:2016-05-23
Release date:2016-08-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase
Authors:Kemp, M.T, Chen, Y.
Deposit date:2021-08-31
Release date:2021-11-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Smith, E.W, Chen, Y.
Deposit date:2015-08-25
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite: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
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, uridine-5'-diphosphate-3-O-(R-3-hydroxydecanoyl)-N-acetyl-D-glucosamine
Authors:Smith, E.W, Chen, Y.
Deposit date:2015-08-27
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, variable lymphocyte receptor-like protein Bf66946
Authors:Cao, D.D, Cheng, W, Jiang, Y.L, Wang, W.J, Li, Q, Chen, Y, Zhou, C.Z.
Deposit date:2015-01-22
Release date:2016-03-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-22
Release date:2025-06-18
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite: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
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-21
Release date:2025-06-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ...
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-21
Release date:2025-06-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Beta-lactamase
Authors:Vlahakis, N, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-22
Release date:2025-06-18
Method:ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite: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
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-21
Release date:2025-06-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Vlahakis, N, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-22
Release date:2025-06-18
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite: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
Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
Authors:Vlahakis, N.W, Rodriguez, J.A, Jacobs, L.M.C, Chen, Y.
Deposit date:2025-05-20
Release date:2025-06-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes
To Be Published

238582

數據於2025-07-09公開中

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