7T61
 
 | | P. aeruginosa LpxA in complex with ligand L15 | | Descriptor: | (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, ACETATE ION, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
|
|
7T5R
 | | P. aeruginosa LpxA in complex with ligand H7 | | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
|
|
6V7H
 | | Structure of CTX-M-14 bound to Vaborbactam at 1.0 A | | Descriptor: | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid, Beta-lactamase, PHOSPHATE ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-12-08 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
|
|
1M6X
 | | Flpe-Holliday Junction Complex | | Descriptor: | Flp recombinase, Symmetrized FRT site | | Authors: | Conway, A.B, Chen, Y, Rice, P.A. | | Deposit date: | 2002-07-17 | | Release date: | 2003-02-04 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Plasticity of the Flp-Holliday Junction Complex
J.Mol.Biol., 326, 2003
|
|
6V1P
 | | Structure of VIM-2 bound to QPX7728 at 1.20 A | | Descriptor: | (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, ACETATE ION, Beta-lactamase class B VIM-2, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-11-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
|
|
6V1J
 | | Structure of KPC-2 bound to QPX7728 at 1.30 A | | Descriptor: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, (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, Carbapenem-hydrolyzing beta-lactamase KPC, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-11-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
|
|
6V7I
 | | Structure of KPC-2 bound to Vaborbactam at 1.25 A | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-12-08 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
|
|
1MN9
 | | NDP kinase mutant (H122G) complex with RTP | | Descriptor: | MAGNESIUM ION, NDP kinase, RIBAVIRIN TRIPHOSPHATE | | Authors: | Gallois-montbrun, S, Chen, Y, Dutartre, H, Morera, S, Guerreiro, C, Mulard, L, Schneider, B, Janin, J, Canard, B, Veron, M, Deville-bonne, D. | | Deposit date: | 2002-09-05 | | Release date: | 2003-03-18 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Analysis of the Activation of Ribavirin Analogs by NDP Kinase: Comparison with Other Ribavirin Targets
MOL.PHARMACOL., 63, 2003
|
|
1MN7
 | | NDP kinase mutant (H122G;N119S;F64W) in complex with aBAZTTP | | Descriptor: | 3'-AZIDO-3'-DEOXY-THYMIDINE-5'-ALPHA BORANO TRIPHOSPHATE, MAGNESIUM ION, NDP kinase | | Authors: | gallois-montbrun, s, schneider, b, chen, y, giacomoni-fernandes, v, mulard, l, morera, s, janin, j, deville-bonne, d, veron, m. | | Deposit date: | 2002-09-05 | | Release date: | 2002-10-02 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Improving nucleoside diphosphate kinase for antiviral nucleotide analogs activation
J.BIOL.CHEM., 277, 2002
|
|
6V1O
 | | Structure of OXA-48 bound to QPX7728 at 1.80 A | | Descriptor: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-11-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
|
|
6V3T
 | |
6VNU
 | | X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase | | Descriptor: | Beta-lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ... | | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Chen, Y. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Metallocenyl 7-ACA Conjugates: Antibacterial Activity Studies and Atomic-Resolution X-ray Crystal Structure with CTX-M beta-Lactamase.
Chembiochem, 21, 2020
|
|
7UA7
 | | Crystal structure of indoline 9 with KPC-2 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2022-03-11 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.247 Å) | | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
|
|
7U9B
 | | Crystal structure of indoline 7 with KPC-2 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, [(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2022-03-10 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
|
|
7U70
 | | Crystal Structure of CTX-M-14 with compound 2 | | Descriptor: | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Beta-lactamase | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2022-03-07 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
|
|
7U8S
 | | Crystal Structure of KPC-2 with compound 2 | | Descriptor: | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Carbapenem-hydrolyzing beta-lactamase KPC | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2022-03-09 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
|
|
1NYK
 | | Crystal Structure of the Rieske protein from Thermus thermophilus | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, Rieske iron-sulfur protein | | Authors: | Hunsicker-Wang, L.M, Heine, A, Chen, Y, Luna, E.P, Todaro, T, Zhang, Y.M, Williams, P.A, McRee, D.E, Hirst, J, Stout, C.D, Fee, J.A. | | Deposit date: | 2003-02-12 | | Release date: | 2003-06-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | High resolution structure of the soluble, respiratory-type Rieske protein from Thermus thermophilus: Analysis and Comparison
Biochemistry, 42, 2003
|
|
3C5W
 | | Complex between PP2A-specific methylesterase PME-1 and PP2A core enzyme | | Descriptor: | PP2A A subunit, PP2A C subunit, PP2A-specific methylesterase PME-1 | | Authors: | Xing, Y, Li, Z, Chen, Y, Stock, J, Jeffrey, P.D, Shi, Y. | | Deposit date: | 2008-02-01 | | Release date: | 2008-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural mechanism of demethylation and inactivation of protein phosphatase 2A.
Cell(Cambridge,Mass.), 133, 2008
|
|
3C5V
 | | PP2A-specific methylesterase apo form (PME) | | Descriptor: | Protein phosphatase methylesterase 1 | | Authors: | Xing, Y, Li, Z, Chen, Y, Stock, J, Jeffrey, P.D, Shi, Y. | | Deposit date: | 2008-02-01 | | Release date: | 2008-04-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural mechanism of demethylation and inactivation of protein phosphatase 2A.
Cell(Cambridge,Mass.), 133, 2008
|
|
2WYX
 | | Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant | | Descriptor: | BETA-LACTAMSE TOHO-1 | | Authors: | Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L. | | Deposit date: | 2009-11-20 | | Release date: | 2010-01-12 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (2.1 Å) | | Cite: | Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant
J.Mol.Biol., 396, 2010
|
|
1P4E
 | | Flpe W330F mutant-DNA Holliday Junction Complex | | Descriptor: | 33-MER, 5'-D(*TP*AP*AP*GP*TP*TP*CP*CP*TP*AP*TP*TP*C)-3', 5'-D(*TP*TP*TP*AP*AP*AP*AP*GP*AP*AP*TP*AP*GP*GP*AP*AP*CP*TP*TP*C)-3', ... | | Authors: | Rice, P.A, Chen, Y. | | Deposit date: | 2003-04-23 | | Release date: | 2003-05-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The role of the conserved Trp330 in Flp-mediated recombination. Functional and structural analysis
J.Biol.Chem., 278, 2003
|
|
6CZ1
 | | Crystal structure of ATPase domain of Human GRP78 bound to Ver155008 | | Descriptor: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Endoplasmic reticulum chaperone BiP, MAGNESIUM ION | | Authors: | Antoshchenko, T, Chen, Y, Hughes, S, Park, H. | | Deposit date: | 2018-04-07 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystallographic selection of adenosine analogs that fit the mold of the active site of human GRP78 and beyond
To be Published
|
|
6D1D
 | | Crystal structure of NDM-1 complexed with compound 6 | | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
|
|
6D1I
 | |
6D1B
 | | Crystal structure of NDM-1 complexed with compound 2 | | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
|
|
