PDB: 217477 resultsInfo pagesStatus searchChemie searchBIRD

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5UDQ	LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, apo form Descriptor: Lactate racemization operon protein LarE, PHOSPHATE ION, SULFATE ION Authors: Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. Deposit date: 2016-12-28 Release date: 2017-08-23 Last modified: 2019-11-27 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7ZJZ	catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans Descriptor: Oligopeptidase B, SPERMINE Authors: Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. Deposit date: 2022-04-12 Release date: 2023-01-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Elucidation of the Conformational Transition of Oligopeptidase B by an Integrative Approach Based on the Combination of X-ray, SAXS, and Essential Dynamics Sampling Simulation Crystals, 12, 2022
6UOE	3-25 Fab germline-reversion variant bound to an HCMV gB-derived peptide Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-25 Fab heavy chain, 3-25 Fab light chain, ... Authors: Wrapp, D, McLellan, J.S. Deposit date: 2019-10-14 Release date: 2020-07-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Recognition of a highly conserved glycoprotein B epitope by a bivalent antibody neutralizing HCMV at a post-attachment step. Plos Pathog., 16, 2020
5UDU	LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with manganese Descriptor: Lactate racemization operon protein LarE, MANGANESE (II) ION, PHOSPHATE ION, ... Authors: Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. Deposit date: 2016-12-28 Release date: 2017-08-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.792 Å) Cite: Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6J8R	Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01 Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ... Authors: Li, G.-B, Liu, S. Deposit date: 2019-01-21 Release date: 2019-07-17 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.575 Å) Cite: Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
3NUB	WbpE, an Aminotransferase from Pseudomonas aeruginosa Involved in O-antigen Assembly in Complex with Product as the External Aldimine Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid, Aminotransferase WbpE, GLYCEROL, ... Authors: Larkin, A, Olivier, N.B, Imperiali, B. Deposit date: 2010-07-06 Release date: 2010-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural Analysis of WbpE from Pseudomonas aeruginosa PAO1: A Nucleotide Sugar Aminotransferase Involved in O-Antigen Assembly Biochemistry, 49, 2010
6B2Q	Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis Descriptor: 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA Authors: Zuccola, H.J. Deposit date: 2017-09-20 Release date: 2018-02-14 Method: X-RAY DIFFRACTION (2.88 Å) Cite: Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett, 8, 2017
7SZQ	Human P300 complexed with an azaindazole inhibitor Descriptor: 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide, Histone acetyltransferase p300 Authors: Shewchuk, L.M, Reid, R.A. Deposit date: 2021-11-29 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening. J.Med.Chem., 65, 2022
7WSB	The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B Descriptor: 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ... Authors: Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P. Deposit date: 2022-01-28 Release date: 2022-07-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.87 Å) Cite: Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues. Jacs Au, 2, 2022
4R49	Racemic crystal structure of a calcium-bound B-DNA duplex Descriptor: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION Authors: Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. Deposit date: 2014-08-19 Release date: 2014-11-12 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
7TD9	G-059 bound to the SMARCA4 (BRG1) Bromodomain Descriptor: 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine, Isoform 4 of Transcription activator BRG1 Authors: Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F. Deposit date: 2021-12-30 Release date: 2022-08-17 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.61 Å) Cite: GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1. J.Med.Chem., 65, 2022
2P3A	Crystal Structure of the multi-drug resistant mutant subtype B HIV protease complexed with TL-3 inhibitor Descriptor: benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease Authors: Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. Deposit date: 2007-03-08 Release date: 2007-04-24 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development. J.Mol.Biol., 369, 2007
6FCZ	Model of gC1q-Fc complex based on 7A EM map Descriptor: Complement C1q subcomponent subunit A, Complement C1q subcomponent subunit B, Complement C1q subcomponent subunit C, ... Authors: Ugurlar, D, Howes, S.C, de Kreuk, B.J.K, de Jong, R.N, Beurskens, F.J, Koster, A.J, Parren, P.W.H.I, Sharp, T.H, Gros, P, Koning, R.I. Deposit date: 2017-12-21 Release date: 2018-02-28 Last modified: 2018-10-24 Method: ELECTRON MICROSCOPY (10 Å) Cite: Structures of C1-IgG1 provide insights into how danger pattern recognition activates complement. Science, 359, 2018
1O6I	Chitinase B from Serratia marcescens complexed with the catalytic intermediate mimic cyclic dipeptide CI4. Descriptor: Chitinase, GLYCEROL, SULFATE ION, ... Authors: Houston, D.R, Eggleston, I, Synstad, B, Eijsink, V.G.H, van Aalten, D.M.F. Deposit date: 2002-10-03 Release date: 2003-03-30 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: The cyclic dipeptide CI-4 [cyclo-(l-Arg-d-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate. Biochem. J., 368, 2002
1KJ2	Murine Alloreactive ScFv TCR-Peptide-MHC Class I Molecule Complex Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Allogeneic H-2Kb MHC Class I Molecule, Beta-2 microglobulin, ... Authors: Reiser, J.-B, Gregoire, C, Darnault, C, Mosser, T, Guimezanes, A, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Mazza, G, Malissen, B, Housset, D. Deposit date: 2001-12-04 Release date: 2002-03-27 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.71 Å) Cite: A T cell receptor CDR3beta loop undergoes conformational changes of unprecedented magnitude upon binding to a peptide/MHC class I complex. Immunity, 16, 2002
7K7H	Density-fitted Model Structure of Antibody Variable Domains of TyTx1 in Complex with PltB pentamer of Typhoid Toxin Descriptor: Fab Heavy Chain Variable Domain, Fab Light Chain Variable Domain, Pertussis like toxin subunit B, ... Authors: Nguyen, T, Feathers, J.R, Fromme, J.C, Song, J. Deposit date: 2020-09-22 Release date: 2021-09-01 Last modified: 2021-09-22 Method: ELECTRON MICROSCOPY (3 Å) Cite: The structural basis of Salmonella A 2 B 5 toxin neutralization by antibodies targeting the glycan-receptor binding subunits. Cell Rep, 36, 2021
5SZM	Protocadherin gamma A8 extracellular cadherin domains 1-4 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PcdhgA8 or protocadherin gamma A8, ... Authors: Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L. Deposit date: 2016-08-14 Release date: 2016-10-19 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3.6 Å) Cite: gamma-Protocadherin structural diversity and functional implications. Elife, 5, 2016
5J1Q	Carboxypeptidase B with Sulphamoil Phenylalanine Descriptor: Carboxypeptidase B, PHENYLALANINE-N-SULFONAMIDE, ZINC ION Authors: Timofeev, V.I, Akparov, V.K, Kuranova, I.P. Deposit date: 2016-03-29 Release date: 2017-04-19 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Carboxypeptidase B with Sulphamoil Phenylalanine To Be Published
7O5E	The structure of an i-motif/duplex junction at neutral pH Descriptor: I-motif/duplex junction (IDJ) Authors: Serrano-Chacon, I, Mir, B, Escaja, N, Gonzalez, C. Deposit date: 2021-04-08 Release date: 2021-09-01 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Structure of i-Motif/Duplex Junctions at Neutral pH. J.Am.Chem.Soc., 143, 2021
4E6D	JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 Descriptor: 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2 Authors: Murray, J.M. Deposit date: 2012-03-15 Release date: 2012-05-30 Last modified: 2023-03-01 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
7K63	Cryo-EM structure of a chromatosome containing chimeric linker histone gH1.10-ncH1.4 Descriptor: DNA (197-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... Authors: Zhou, B.-R, Bai, Y. Deposit date: 2020-09-18 Release date: 2020-11-25 Last modified: 2024-03-06 Method: ELECTRON MICROSCOPY (3.03 Å) Cite: Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms. Mol.Cell, 81, 2021
6MLK	Structure of Thioesterase from DEBS with a thioesterase-specific antibody Descriptor: 6-deoxyerythronolide-B synthase EryA3, modules 5 and 6, CHLORIDE ION, ... Authors: Mathews, I.I, Li, X, Khosla, C. Deposit date: 2018-09-27 Release date: 2018-10-17 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Discovery and Characterization of a Thioesterase-Specific Monoclonal Antibody That Recognizes the 6-Deoxyerythronolide B Synthase. Biochemistry, 57, 2018
7K61	Cryo-EM structure of 197bp nucleosome aided by scFv Descriptor: DNA (197-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... Authors: Zhou, B.-R, Bai, Y. Deposit date: 2020-09-17 Release date: 2020-11-25 Last modified: 2021-01-20 Method: ELECTRON MICROSCOPY (2.85 Å) Cite: Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms. Mol.Cell, 81, 2021
5A7C	Crystal structure of the second bromodomain of human BRD3 in complex with compound Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE Authors: Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B. Deposit date: 2015-07-03 Release date: 2016-03-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins. Cancer Res., 76, 2016
4BQ5	Structural analysis of an exo-beta-agarase Descriptor: 3,6-anhydro-alpha-L-galactopyranose, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, ... Authors: Pluvinage, B, Hehemann, J.H, Boraston, A.B. Deposit date: 2013-05-29 Release date: 2013-08-14 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Substrate Recognition and Hydrolysis by a Family 50 Exo-Beta-Agarase Aga50D from the Marine Bacterium Saccharophagus Degradans J.Biol.Chem., 288, 2013

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