7PZX
| LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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4H2J
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4Q2N
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4Q2P
| NHERF3 PDZ2 in Complex with a Phage-Derived Peptide | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF3 | Authors: | Appleton, B.A, Wiesmann, C. | Deposit date: | 2014-04-09 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A structural portrait of the PDZ domain family. J.Mol.Biol., 426, 2014
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7BZB
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7BZC
| Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP) | Descriptor: | MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Terpenoid synthase 18 | Authors: | Li, J.X, Wang, G.D, Zhang, P. | Deposit date: | 2020-04-27 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases. Plant Commun., 1, 2020
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4H2M
| Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408 | Descriptor: | 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase | Authors: | Zhu, W, Oldfield, E. | Deposit date: | 2012-09-12 | Release date: | 2012-12-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Antibacterial drug leads targeting isoprenoid biosynthesis. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MXK
| X-ray structure of Fe(II)-ZnPIXFeBMb1 | Descriptor: | FE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING ZN | Authors: | Chakraborty, S, Lu, Y, Petrik, I. | Deposit date: | 2013-09-26 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase. Angew.Chem.Int.Ed.Engl., 53, 2014
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5Z9R
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6BX3
| Structure of histone H3k4 methyltransferase | Descriptor: | COMPASS component BRE2, COMPASS component SDC1, COMPASS component SPP1, ... | Authors: | Skiniotis, G, Qu, Q.H. | Deposit date: | 2017-12-16 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure and Conformational Dynamics of a COMPASS Histone H3K4 Methyltransferase Complex. Cell, 174, 2018
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4H8E
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4H38
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4O9S
| Crystal structure of Retinol-Binding Protein 4 (RBP4)in complex with a non-retinoid ligand | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone, CHLORIDE ION, ... | Authors: | Wang, Z, Johnstone, S, Walker, N.P. | Deposit date: | 2014-01-02 | Release date: | 2014-07-02 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4. Bioorg.Med.Chem.Lett., 24, 2014
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7Q6C
| complement C6 FIM1-2 bound to CP010 antibody | Descriptor: | ACETATE ION, CP010 heavy chain, CP010 light chain, ... | Authors: | Olesen, H.G, Andersen, G.R. | Deposit date: | 2021-11-06 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.29274 Å) | Cite: | Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex. J Innate Immun, 2022
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4H3A
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4PSQ
| Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand | Descriptor: | (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Wang, Z, Johnstone, S, Walker, N. | Deposit date: | 2014-03-07 | Release date: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4. Bioorg.Med.Chem.Lett., 24, 2014
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4H2O
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4MXL
| X-ray structure of ZnPFeBMb1 | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING ZN | Authors: | Chakraborty, S, Lu, Y, Petrik, I. | Deposit date: | 2013-09-26 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase. Angew.Chem.Int.Ed.Engl., 53, 2014
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6CF0
| Sperm Whale Myoglobin H64V Mutant with Nitrite | Descriptor: | GLYCEROL, Myoglobin, NITRITE ION, ... | Authors: | Powell, S.M, Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2018-02-13 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
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4KPQ
| Structure and receptor binding specificity of the hemagglutinin H13 from avian influenza A virus H13N6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Lu, X, Qi, J, Shi, Y, Gao, G. | Deposit date: | 2013-05-14 | Release date: | 2013-07-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structure and Receptor Binding Specificity of Hemagglutinin H13 from Avian Influenza A Virus H13N6 J.Virol., 87, 2013
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4H3C
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4HRS
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4NQJ
| Structure of coiled-coil domain | Descriptor: | DODECYL-BETA-D-MALTOSIDE, E3 ubiquitin-protein ligase TRIM69 | Authors: | Yang, M, Li, Y. | Deposit date: | 2013-11-25 | Release date: | 2014-05-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Structural insights into the TRIM family of ubiquitin E3 ligases. Cell Res., 24, 2014
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4KPS
| Structure and receptor binding specificity of the hemagglutinin H13 from avian influenza A virus H13N6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Lu, X, Qi, J, Shi, Y, Gao, G. | Deposit date: | 2013-05-14 | Release date: | 2013-07-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.587 Å) | Cite: | Structure and Receptor Binding Specificity of Hemagglutinin H13 from Avian Influenza A Virus H13N6 J.Virol., 87, 2013
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6LZE
| The crystal structure of COVID-19 main protease in complex with an inhibitor 11a | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | Deposit date: | 2020-02-19 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.505 Å) | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368, 2020
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