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8DMD	Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound ZZ4461624291 Descriptor: 1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase Authors: Kovalevsky, A, Coates, L, Kneller, D.W. Deposit date: 2022-07-08 Release date: 2023-05-17 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2 Å) Cite: AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. J.Chem.Inf.Model., 63, 2023
8DOC	Crystal structure of RPE65 in complex with compound 16e and palmitate Descriptor: (1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FE (II) ION, ... Authors: Bassetto, M, Kiser, P.D. Deposit date: 2022-07-12 Release date: 2023-05-24 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Tuning the Metabolic Stability of Visual Cycle Modulators through Modification of an RPE65 Recognition Motif. J.Med.Chem., 66, 2023
7DUY	Crystal structure of VIM-2 MBL in complex with 1-(2-(1H-1,2,3-triazol-1-yl)ethyl)-1H-imidazole-2-carboxylic acid Descriptor: 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION Authors: Li, G.-B, Yan, Y.-H. Deposit date: 2021-01-12 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.999 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DV0	Crystal structure of VIM-2 MBL in complex with 1-(4-(trifluoromethyl)benzyl)-1H-imidazole-2-carboxylic acid Descriptor: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ... Authors: Li, G.-B, Yan, Y.-H. Deposit date: 2021-01-12 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.601 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DUX	Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-1H-imidazole-2-carboxylic acid Descriptor: 1-but-3-enylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ... Authors: Li, G.-B, Yan, Y.-H. Deposit date: 2021-01-12 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.981 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DV1	Crystal structure of VIM-2 MBL in complex with 1-(4-hydroxybenzyl)-1H-imidazole-2-carboxylic acid Descriptor: 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... Authors: Li, G.-B, Yan, Y.-H. Deposit date: 2021-01-12 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.966 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DUZ	Crystal structure of VIM-2 MBL in complex with 1-cyclobutyl-1H-imidazole-2-carboxylic acid Descriptor: 1-cyclobutylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... Authors: Li, G.-B, Yan, Y.-H. Deposit date: 2021-01-12 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DU1	Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid Descriptor: 1-propylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... Authors: Yan, Y.-H, Li, G.-B. Deposit date: 2021-01-07 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DUE	Crystal structure of VIM-2 MBL in complex with (R)-1-(sec-butyl)-1H-imidazole-2-carboxylic acid Descriptor: 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... Authors: Li, G.-B, Yan, Y.-H. Deposit date: 2021-01-08 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.799 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DUB	Crystal structure of VIM-2 MBL in complex with 1-isopropyl-1H-imidazole-2-carboxylic acid Descriptor: 1-propan-2-ylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... Authors: Li, G.-B, Yan, Y.-H. Deposit date: 2021-01-08 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.599 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
6HLE	X-ray structure of furin in complex with the P6-P2-cyclized peptide H-Lys-Arg-Arg-Tle-Lys-4-Amba Descriptor: 3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal, CALCIUM ION, CHLORIDE ION, ... Authors: Dahms, S.O. Deposit date: 2018-09-11 Release date: 2019-02-06 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.994 Å) Cite: Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019
6HLB	X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)4-Lys]-Arg-4-Amba Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Dahms, S.O. Deposit date: 2018-09-11 Release date: 2019-02-06 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2 Å) Cite: Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019
7DYY	Crystal structure of VIM-2 MBL in complex with 1-((2-aminobenzo[d]thiazol-6-yl)methyl)-1H-imidazole-2-carboxylic acid Descriptor: 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, DI(HYDROXYETHYL)ETHER, ... Authors: Yan, Y.-H, Li, G.-B. Deposit date: 2021-01-23 Release date: 2022-01-26 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.798 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DYZ	Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-4-methyl-1H-imidazole-2-carboxylic acid Descriptor: 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ... Authors: Yan, Y.-H, Li, G.-B. Deposit date: 2021-01-23 Release date: 2022-01-26 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.902 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DZ1	Crystal structure of VIM-2 MBL in complex with 1-benzyl-5-methyl-1H-imidazole-2-carboxylic acid Descriptor: 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION Authors: Yan, Y.-H, Li, G.-B. Deposit date: 2021-01-23 Release date: 2022-01-26 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.708 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DZ0	Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-5-methyl-1H-imidazole-2-carboxylic acid Descriptor: 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION Authors: Yan, Y.-H, Li, G.-B. Deposit date: 2021-01-23 Release date: 2022-01-26 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (3.227 Å) Cite: Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
8DTK	Structure of RBD directed antibody DH1047 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interace Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Fab Heavy Chain, DH1047 Fab Light Chain, ... Authors: May, A.J, Manne, K, Acharya, P. Deposit date: 2022-07-25 Release date: 2023-08-02 Last modified: 2024-02-28 Method: ELECTRON MICROSCOPY (3.77 Å) Cite: Broadly neutralizing antibody induction by non-stabilized SARS-CoV-2 Spike mRNA vaccination in nonhuman primates. Biorxiv, 2023
6JX9	Structure of Y17107 complexed HPPD Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 5-[(~{Z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione, COBALT (II) ION Authors: Lin, H.Y, Yang, G.F. Deposit date: 2019-04-22 Release date: 2020-03-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Pyrazole-Isoindoline-1,3-dione Hybrid: A Promising Scaffold for 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors. J.Agric.Food Chem., 67, 2019
8E1E	Scaffolding protein functional sites using deep learning Descriptor: SG122_C3 Authors: Bera, A.K, Gerben, S, Baker, D. Deposit date: 2022-08-10 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (4.27 Å) Cite: Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins. Biochemistry, 62, 2023
8E1C	Crystal Structure of Nanobody VHH222 Specific for PA14 Cif Descriptor: Nanobody VHH222 Authors: Simard, A.R, Taher, N.M, Stuut, S.E, Madden, D.R. Deposit date: 2022-08-10 Release date: 2023-10-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of Nanobody VHH222 Specific for PA14 Cif To Be Published
8E1B	Crystal Structure of Nanobody VHH108 Specific for PA14 Cif Descriptor: Nanobody VHH108 Authors: Simard, A.R, Taher, N.M, Mishra, A.K, Madden, D.R. Deposit date: 2022-08-10 Release date: 2023-10-04 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal Structure of Nanobody VHH108 Specific for PA14 Cif To Be Published
2NZ3	NMR structure of DEF-AcAA, a mutant of anopheles defensin DEF-AAA Descriptor: defensin, mutant DEF-AcAA Authors: Landon, C, Barbault, F, Vovelle, F. Deposit date: 2006-11-22 Release date: 2007-11-13 Last modified: 2023-12-27 Method: SOLUTION NMR Cite: Rational design of peptides active against the gram positive bacteria Staphylococcus aureus Proteins, 72, 2008
7FH0	Crystallographic structure of two neutralizing nanobodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... Authors: Zheng, P, Jin, J. Deposit date: 2021-07-28 Release date: 2022-08-03 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron. Cell Res., 32, 2022
8EHG	Rabbit muscle aldolase determined using single-particle cryo-EM with Apollo camera. Descriptor: Fructose-bisphosphate aldolase A Authors: Peng, R, Fu, X, Mendez, J.H, Randolph, P.H, Bammes, B, Stagg, S.M. Deposit date: 2022-09-14 Release date: 2022-12-21 Last modified: 2024-06-19 Method: ELECTRON MICROSCOPY (2.24 Å) Cite: Characterizing the resolution and throughput of the Apollo direct electron detector. J Struct Biol X, 7, 2023
6HQD	Cytochrome P450-153 from Pseudomonas sp. 19-rlim Descriptor: Cytochrome P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Fiorentini, F, Mattevi, A. Deposit date: 2018-09-24 Release date: 2018-12-12 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases. Biochemistry, 57, 2018

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