5DTT
 
 | | Fragments bound to the OXA-48 beta-lactamase: Compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-yl)benzoic acid, Beta-lactamase, ... | | Authors: | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | | Deposit date: | 2015-09-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.10000539 Å) | | Cite: | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
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1BYL
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5UWS
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5BW0
 | | The crystal structure of minor pseudopilin binary complex of XcpV and XcpW from the Type 2 secretion system of Pseudomonas aeruginosa | | Descriptor: | SULFATE ION, Type II secretion system protein I, Type II secretion system protein J | | Authors: | Zhang, Y, Faucher, F, Poole, K, Jia, Z. | | Deposit date: | 2015-06-05 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided disruption of the pseudopilus tip complex inhibits the Type II secretion in Pseudomonas aeruginosa.
PLoS Pathog., 14, 2018
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3ZG2
 | | Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO) | | Descriptor: | (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | | Deposit date: | 2012-12-14 | | Release date: | 2013-09-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity
J.Biol.Chem., 288, 2013
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1BQJ
 | | CRYSTAL STRUCTURE OF D(ACCCT) | | Descriptor: | DNA (5'-D(*AP*CP*CP*CP*T)-3') | | Authors: | Weil, J, Min, T, Yang, C, Wang, S, Sutherland, C, Sinha, N, Kang, C.H. | | Deposit date: | 1998-08-17 | | Release date: | 1999-03-18 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Stabilization of the i-motif by intramolecular adenine-adenine-thymine base triple in the structure of d(ACCCT).
Acta Crystallogr.,Sect.D, 55, 1999
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7NMH
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-070 | | Descriptor: | (5-methanoyl-2-nitro-phenyl) methanesulfonate, 14-3-3 protein sigma, CALCIUM ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-02-23 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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6S9Q
 | | Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex | | Descriptor: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-07-15 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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4QYG
 | | CHK1 kinase domain in complex with diazacarbazole compound 14 | | Descriptor: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Wiesmann, C, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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2FZJ
 | | New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives | | Descriptor: | 2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Pace, J, Chisum, K, Rosowsky, A. | | Deposit date: | 2006-02-09 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions.
Proteins, 65, 2006
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4R3M
 | | Crystal structure of Human Hsp90 with JR9 | | Descriptor: | Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine | | Authors: | Li, J, Yang, M, Ren, J, Xiong, B, He, J. | | Deposit date: | 2014-08-16 | | Release date: | 2014-11-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity.
Org.Biomol.Chem., 13, 2015
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3I4Z
 | | Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus | | Descriptor: | 1,3-BUTANEDIOL, GLYCEROL, Tryptophan dimethylallyltransferase | | Authors: | Schall, C, Zocher, G, Stehle, T. | | Deposit date: | 2009-07-03 | | Release date: | 2009-09-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Proc.Natl.Acad.Sci.USA, 106, 2009
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4OQ9
 | | Satellite Tobacco Mosaic Virus Refined to 1.4 A Resolution using non-crystallographic symmetry restraints | | Descriptor: | Coat protein, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Larson, S.B, Day, J.S, McPherson, A. | | Deposit date: | 2014-02-07 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Satellite tobacco mosaic virus refined to 1.4 angstrom resolution.
Acta Crystallogr.,Sect.D, 70, 2014
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4QRM
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1DDY
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4QYF
 | | CHK1 kinase domain in complex with aminopyrazine compound 13 | | Descriptor: | 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Appleton, B, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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3I4X
 | | Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus in complex with Trp and DMSPP | | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, TRYPTOPHAN, ... | | Authors: | Schall, C, Zocher, G, Stehle, T. | | Deposit date: | 2009-07-03 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Proc.Natl.Acad.Sci.USA, 106, 2009
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5E2Q
 | | Structure of human DPP3 in complex with angiotensin-II | | Descriptor: | Dipeptidyl peptidase 3, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Kumar, P, Reisinger, M, Reithofer, V, Gruber, K. | | Deposit date: | 2015-10-01 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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5EDF
 | | Crystal structure of the selenomethionine-substituted iron-regulated protein FrpD from Neisseria meningitidis | | Descriptor: | AZIDE ION, FrpC operon protein, HEXAETHYLENE GLYCOL, ... | | Authors: | Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I. | | Deposit date: | 2015-10-21 | | Release date: | 2017-02-01 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis.
Sci Rep, 7, 2017
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1UKX
 | | Solution structure of the RWD domain of mouse GCN2 | | Descriptor: | GCN2 eIF2alpha kinase | | Authors: | Nameki, N, Yoneyama, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-09-03 | | Release date: | 2004-08-03 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the RWD domain of the mouse GCN2 protein.
Protein Sci., 13, 2004
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5DTS
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4R9W
 | | Crystal structure of platelet factor 4 complexed with fondaparinux | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Platelet factor 4 | | Authors: | Cai, Z, Zhu, Z, Liu, Q, Greene, M.I. | | Deposit date: | 2014-09-08 | | Release date: | 2015-12-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
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2F4O
 | | The Mouse PNGase-HR23 Complex Reveals a Complete Remodulation of the Protein-Protein Interface Compared to its Yeast Orthologs | | Descriptor: | CHLORIDE ION, PHQ-VAL-ALA-ASP-CF0, XP-C repair complementing complex 58 kDa protein, ... | | Authors: | Zhao, G, Zhou, X, Wang, L, Kisker, C, Lennarz, W.J, Schindelin, H. | | Deposit date: | 2005-11-23 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure of the mouse peptide N-glycanase-HR23 complex suggests co-evolution of the endoplasmic reticulum-associated degradation and DNA repair pathways.
J.Biol.Chem., 281, 2006
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7NIT
 | | X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum | | Descriptor: | Beta-galactosidase, CALCIUM ION, GLYCEROL, ... | | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Sanchez Rodriguez, F, Rigden, D.J, Tams, J.W, Wilting, R, Vester, J.K, Longhin, E, Krogh, K.B.R, Pache, R.A, Davies, G.J, Wilson, K.S. | | Deposit date: | 2021-02-14 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Multitasking in the gut: the X-ray structure of the multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions.
Acta Crystallogr D Struct Biol, 77, 2021
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5VTD
 | | Crystal Structure of the Co-bound Human Heavy-Chain Ferritin variant 122H-delta C-star | | Descriptor: | CALCIUM ION, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Bailey, J.B, Zhang, L, Chiong, J.A, Tezcan, F.A. | | Deposit date: | 2017-05-16 | | Release date: | 2017-06-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Synthetic Modularity of Protein-Metal-Organic Frameworks.
J. Am. Chem. Soc., 139, 2017
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