3VB3
 
 | | Crystal structure of SARS-CoV 3C-like protease in apo form | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, DI(HYDROXYETHYL)ETHER | | Authors: | Chuck, C.P, Wong, K.B. | | Deposit date: | 2011-12-31 | | Release date: | 2012-12-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
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3VQ5
 | | HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE | | Descriptor: | CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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4GCD
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5I0R
 | | D-cysteine bound C93A mutant of Cysteine Dioxygenase at pH 8 | | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, D-CYSTEINE, ... | | Authors: | Kean, K.M, Driggers, C.M, Karplus, P.A. | | Deposit date: | 2016-02-04 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
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5AAL
 | | Complex of the FimH lectin with a C-linked para-biphenyl ethylene alpha-D-mannoside in soaked trigonal crystals at 2.45 A resolution | | Descriptor: | (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol, FIMH, NICKEL (II) ION, ... | | Authors: | De Ruyck, J, Bouckaert, J. | | Deposit date: | 2015-07-27 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structures of C-Mannosylated Anti-Adhesives Bound to the Type 1 Fimbrial Fimh Adhesin
Iucrj, 3, 2016
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5OAF
 | | Human Rvb1/Rvb2 heterohexamer in INO80 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2 | | Authors: | Aramayo, R.J, Bythell-Douglas, R, Ayala, R, Willhoft, O, Wigley, D, Zhang, X. | | Deposit date: | 2017-06-21 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.06 Å) | | Cite: | Cryo-EM structures of the human INO80 chromatin-remodeling complex.
Nat. Struct. Mol. Biol., 25, 2018
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2RHE
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3VBH
 | | Crystal structure of formaldehyde treated human enterovirus 71 (space group R32) | | Descriptor: | CHLORIDE ION, Genome Polyprotein, capsid protein VP1, ... | | Authors: | Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z. | | Deposit date: | 2012-01-02 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
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5OB1
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5ADL
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2- amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-08-20 | | Release date: | 2015-10-28 | | Last modified: | 2015-11-25 | | Method: | X-RAY DIFFRACTION (2.205 Å) | | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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5I8F
 | | Crystal structure of St. John's wort Hyp-1 protein in complex with melatonin | | Descriptor: | GLYCEROL, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Phenolic oxidative coupling protein, ... | | Authors: | Sliwiak, J, Dauter, Z, Jaskolski, M. | | Deposit date: | 2016-02-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of Hyp-1, a Hypericum perforatum PR-10 Protein, in Complex with Melatonin.
Front Plant Sci, 7, 2016
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4G82
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5ACH
 | | X-ray Structure of LPMO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2015-08-17 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Nat. Chem. Biol., 12, 2016
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5I0Y
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5OB5
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3VQH
 | | Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Pflug, A, Johnson, K.A, Engh, R.A. | | Deposit date: | 2012-03-23 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89
Acta Crystallogr.,Sect.F, 68, 2012
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2TMP
 | | N-TERMINAL DOMAIN OF TISSUE INHIBITOR OF METALLOPROTEINASE-2 (N-TIMP-2), NMR, 49 STRUCTURES | | Descriptor: | TISSUE INHIBITOR OF METALLOPROTEINASES-2 | | Authors: | Muskett, F.W, Frenkiel, T.A, Feeney, J, Freedman, R.B, Carr, M.D, Williamson, R.A. | | Deposit date: | 1998-05-26 | | Release date: | 1998-12-09 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | High resolution structure of the N-terminal domain of tissue inhibitor of metalloproteinases-2 and characterization of its interaction site with matrix metalloproteinase-3.
J.Biol.Chem., 273, 1998
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5AFE
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3VQX
 | | Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in triclinic crystal form | | Descriptor: | ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, Pyrrolysine--tRNA ligase, ... | | Authors: | Yanagisawa, T, Sumida, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2012-04-02 | | Release date: | 2013-01-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A novel crystal form of pyrrolysyl-tRNA synthetase reveals the pre- and post-aminoacyl-tRNA synthesis conformational states of the adenylate and aminoacyl moieties and an asparagine residue in the catalytic site
Acta Crystallogr.,Sect.D, 69, 2013
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5OB7
 | | X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole (crystal 2) | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Pontillo, N, Ferraro, G, Merlino, A. | | Deposit date: | 2017-06-26 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
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5I8O
 | | HMM5 Fab in complex with disaccharide | | Descriptor: | HMM5 antibody heavy chain, HMM5 antibody light chain, alpha-L-fucopyranose-(1-3)-methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | | Authors: | Andersen, G.R, Tjerrild, L.M, Spillner, E. | | Deposit date: | 2016-02-19 | | Release date: | 2016-03-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of HMM5 Fab with a bound disaccharide
To be published
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5ACP
 | | W228R-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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5I19
 | | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV1-39 | | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | | Deposit date: | 2016-02-05 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural diversity in a human antibody germline library.
Mabs, 8, 2016
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4G8C
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5OBC
 | | X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole | | Descriptor: | PHOSPHATE ION, Ribonuclease pancreatic, pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium, ... | | Authors: | Pontillo, N, Ferraro, G, Merlino, A. | | Deposit date: | 2017-06-26 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
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