7UOX
 
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UOY
 | | NDM1-inhibitor co-structure | | Descriptor: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7D88
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7D89
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7EN9
 | | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02 | | Descriptor: | 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide | | Authors: | Hou, N, Peng, C, Hu, Q. | | Deposit date: | 2021-04-16 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
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7END
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7ENE
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7EN8
 | | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04 | | Descriptor: | 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide | | Authors: | Hou, N, Peng, C, Hu, Q. | | Deposit date: | 2021-04-16 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
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5ZB7
 | | CTX-M-64 apoenzyme | | Descriptor: | Beta-lactamase | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2018-02-10 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
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5ZBH
 | | The Crystal Structure of Human Neuropeptide Y Y1 Receptor with BMS-193885 | | Descriptor: | Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | | Authors: | Yang, Z, Han, S, Zhao, Q, Wu, B. | | Deposit date: | 2018-02-11 | | Release date: | 2018-04-25 | | Last modified: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
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5ZBQ
 | | The Crystal Structure of human neuropeptide Y Y1 receptor with UR-MK299 | | Descriptor: | Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide | | Authors: | Yang, Z, Han, S, Zhao, Q, Wu, B. | | Deposit date: | 2018-02-12 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
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7XMN
 | | Structure of SARS-CoV-2 ORF8 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ... | | Authors: | Chen, X, Xu, W. | | Deposit date: | 2022-04-26 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation.
Microbiol Spectr, 11, 2023
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6ADM
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7VYQ
 | | Short chain dehydrogenase (SCR) cryoEM structure with NADP and ethyl 4-chloroacetoacetate | | Descriptor: | Carbonyl Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 4-chloranyl-3-oxidanylidene-butanoate | | Authors: | Li, Y.H, Zhang, R.Z, Wang, C, Forouhar, F, Clarke, O, Vorobiev, S, Singh, S, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2021-11-15 | | Release date: | 2022-04-06 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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7WBL
 | | Cryo-EM structure of human ACE2 complexed with SARS-CoV-2 Omicron RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Liu, S, Gao, F.G. | | Deposit date: | 2021-12-17 | | Release date: | 2022-01-19 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
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7WBQ
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7WBP
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7WSK
 | | Crystal structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with civet ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Huang, B, Han, P, Qi, J. | | Deposit date: | 2022-01-29 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
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7WRI
 | | Cryo-EM structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with mouse ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Han, P, Xie, Y, Qi, J. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-08 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
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7WRH
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Han, P, Xie, Y, Qi, J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
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3N7Z
 | | Crystal structure of acetyltransferase from Bacillus anthracis | | Descriptor: | Acetyltransferase, GNAT family, SODIUM ION | | Authors: | Chang, C, Wu, R, Gornicki, P, Zhang, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-05-27 | | Release date: | 2010-06-16 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Biochemical and Structural Analysis of an Eis Family Aminoglycoside Acetyltransferase from Bacillus anthracis.
Biochemistry, 54, 2015
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3NWW
 | | P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor | | Descriptor: | 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2010-07-12 | | Release date: | 2010-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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4HKB
 | | CH67 Fab (unbound) from the CH65-67 Lineage | | Descriptor: | CH67 heavy chain, CH67 light chain | | Authors: | Schmidt, A.G, Harrison, S.C. | | Deposit date: | 2012-10-15 | | Release date: | 2012-11-21 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HK3
 | | I2 Fab (unbound) from CH65-CH67 Lineage | | Descriptor: | I2 heavy chain, I2 light chain | | Authors: | Schmidt, A.G, Harrison, S.C. | | Deposit date: | 2012-10-14 | | Release date: | 2012-11-21 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HKX
 | | Influenza hemagglutinin in complex with CH67 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CH67 heavy chain, CH67 light chain, ... | | Authors: | Schmidt, A.G, Harrison, S.C. | | Deposit date: | 2012-10-15 | | Release date: | 2012-11-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
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