7K5T
| Bst DNA polymerase I time-resolved structure, 25.5 hr post dATP and dCTP addition | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*GP*AP*TP*CP*AP*CP*GP*TP*A)-3'), DNA (5'-D(P*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*C)-3'), ... | Authors: | Chim, N, Meza, R.A, Trinh, A.M, Chaput, J.C. | Deposit date: | 2020-09-17 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Following replicative DNA synthesis by time-resolved X-ray crystallography. Nat Commun, 12, 2021
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5JLI
| Nitric oxide complex of the L16A mutant of cytochrome c prime from Alcaligenes xylosoxidans | Descriptor: | ASCORBIC ACID, Cytochrome c', HEME C, ... | Authors: | Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2016-04-27 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017
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4XMW
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6AVJ
| Crystal structure of human Mitochondrial inner NEET protein (MiNT)/CISD3 | Descriptor: | CDGSH iron-sulfur domain-containing protein 3, mitochondrial, FE2/S2 (INORGANIC) CLUSTER | Authors: | Lipper, C.H, Karmi, O, Sohn, Y.S, Darash-Yahana, M, Lammert, H, Song, L, Liu, A, Mittler, R, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | Deposit date: | 2017-09-02 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the human monomeric NEET protein MiNT and its role in regulating iron and reactive oxygen species in cancer cells. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8G98
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5FOZ
| De novo structure of the binary mosquito larvicide BinAB at pH 10 | Descriptor: | LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | Deposit date: | 2015-11-26 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure. Nature, 539, 2016
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1AYW
| CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR | Descriptor: | 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE, CATHEPSIN K | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | Deposit date: | 1997-11-10 | Release date: | 1998-11-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
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6AWE
| Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile | Descriptor: | 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-09-05 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile To Be Published
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5JM8
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5MNR
| Thermolysin in complex with inhibitor JC256 | Descriptor: | (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.249 Å) | Cite: | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017
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6AZX
| Crystal structure of the neutralizing anti-circumsporozoite protein 663 antibody | Descriptor: | 663 antibody, heavy chain, light chain | Authors: | Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P. | Deposit date: | 2017-09-13 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies. Immunity, 47, 2017
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3LD5
| Human aldose reductase mutant T113S complexed with IDD594 | Descriptor: | Aldose reductase, BROMIDE ION, CITRIC ACID, ... | Authors: | Koch, C, Heine, A, Klebe, G. | Deposit date: | 2010-01-12 | Release date: | 2010-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors J.Mol.Biol., 406, 2011
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1B01
| TRANSCRIPTIONAL REPRESSOR COPG/DNA COMPLEX | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*TP*GP*CP*AP*CP*TP*CP*AP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*GP*CP*AP*TP*TP*GP*AP*GP*TP*GP*CP*AP*CP*GP*G)-3'), TRANSCRIPTIONAL REPRESSOR COPG | Authors: | Gomis-Rueth, F.X, Sola, M, Acebo, P, Parraga, A, Guasch, A, Eritja, R, Gonzalez, A, Espinosa, M, del Solar, G, Coll, M. | Deposit date: | 1999-11-15 | Release date: | 1999-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The structure of plasmid-encoded transcriptional repressor CopG unliganded and bound to its operator. EMBO J., 17, 1998
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6B17
| Design of a short thermally stable alpha-helix embedded in a macrocycle | Descriptor: | 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide | Authors: | Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F. | Deposit date: | 2017-09-17 | Release date: | 2018-02-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle. Chembiochem, 19, 2018
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4QSD
| Crystal structure of atu4361 sugar transporter from Agrobacterium Fabrum C58, target efi-510558, with bound sucrose | Descriptor: | ABC-TYPE SUGAR TRANSPORTER, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-07-03 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal Structure of Maltoside Transporter Atu4361 from Agrobacterium Fabrum, Target Efi-510558 To be Published
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6E6L
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5MD5
| The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=0 | Descriptor: | Capsid protein p24 | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | Deposit date: | 2016-11-10 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions. Science, 354, 2016
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8K3M
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7M9Q
| HIV-1 Protease WT (NL4-3) in Complex with LR4-33 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | HIV-1 Protease WT (NL4-3) in Complex with LR4-33 To Be Published
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5MDD
| The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=23, twist=6 | Descriptor: | Gag protein | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | Deposit date: | 2016-11-10 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions. Science, 354, 2016
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5FLT
| Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | 3-phenoxybenzoic acid, GLYCEROL, HUMAN CARBONIC ANHYDRASE 2, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-10-28 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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8SG6
| SARS-CoV-2 Main Protease (Mpro) H163A Mutant Reduced with 20mM TCEP | Descriptor: | 3C-like proteinase nsp5, GLYCEROL | Authors: | Tran, N, McLeod, M.J, Barwell, S, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T. | Deposit date: | 2023-04-11 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease. Nat Commun, 14, 2023
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4XS1
| Salmonella typhimurium AhpC T43V mutant | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | Deposit date: | 2015-01-21 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
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7QZ6
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1BD6
| 7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | 7-FE FERREDOXIN, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | Authors: | Aono, S, Bentrop, D, Bertini, I, Donaire, A, Luchinat, C, Niikura, Y, Rosato, A. | Deposit date: | 1998-05-06 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the oxidized Fe7S8 ferredoxin from the thermophilic bacterium Bacillus schlegelii by 1H NMR spectroscopy. Biochemistry, 37, 1998
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