6EUZ
 
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | | Descriptor: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-10-31 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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1TR7
 | | FimH adhesin receptor binding domain from uropathogenic E. coli | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, FimH protein, ... | | Authors: | Bouckaert, J, Berglund, J, Schembri, M, De Genst, E, Cools, L, Wuhrer, M, Hung, C.S, Pinkner, J, Slattegard, R, Zavialov, A, Choudhury, D, Langermann, S, Hultgren, S.J, Wyns, L, Klemm, P, Oscarson, S, Knight, S.D, De Greve, H. | | Deposit date: | 2004-06-21 | | Release date: | 2005-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Receptor binding studies disclose a novel class of high-affinity inhibitors of the Escherichia coli FimH adhesin
Mol.Microbiol., 55, 2005
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7Z6W
 | | Complex of E. coli LolA and lipoprotein | | Descriptor: | Outer-membrane lipoprotein carrier protein, [(2~{S})-3-[(2~{S})-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate | | Authors: | Kaplan, E, Greene, N.P, Koronakis, V. | | Deposit date: | 2022-03-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis of lipoprotein recognition by the bacterial Lol trafficking chaperone LolA.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6EY2
 | | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | | Descriptor: | (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | | Deposit date: | 2017-11-10 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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5UIP
 | | structure of DHFR with bound DAP, p-ABG and NADP | | Descriptor: | Dihydrofolate reductase, N-(4-aminobenzene-1-carbonyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Pedersen, L.C, London, R.E. | | Deposit date: | 2017-01-14 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
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6WKR
 | | PRC2-AEBP2-JARID2 bound to H2AK119ub1 nucleosome | | Descriptor: | DNA (314-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Kasinath, V, Nogales, E, Beck, C, Sauer, P, Poepsel, S, Kosmatka, J, Faini, M, Toso, D, Aebersold, R. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | JARID2 and AEBP2 regulate PRC2 in the presence of H2AK119ub1 and other histone modifications.
Science, 371, 2021
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4UPV
 | | Low X-ray dose structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-18 | | Release date: | 2014-10-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
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3KWC
 | | Oxidized, active structure of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM | | Descriptor: | CHLORIDE ION, Carbon dioxide concentrating mechanism protein, ISOPROPYL ALCOHOL, ... | | Authors: | Kimber, M.S, Castel, S.E, Pena, K.L. | | Deposit date: | 2009-12-01 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2XXI
 | | Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution. | | Descriptor: | 1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-10 | | Release date: | 2011-04-06 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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6SKA
 | | Teneurin 2 in complex with Latrophilin 1 Lec-Olf domains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor L1, ... | | Authors: | Chu, A, Carrasquero, M.A, Lowe, E, Seiradake, E. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.86 Å) | | Cite: | Structural Basis of Teneurin-Latrophilin Interaction in Repulsive Guidance of Migrating Neurons.
Cell, 180, 2020
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6WF5
 | | Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2) | | Descriptor: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WCQ
 | | Structure of a substrate-bound DQC ubiquitin ligase | | Descriptor: | Cullin-1, F-box/LRR-repeat protein 17, Kelch-like ECH-associated protein 1, ... | | Authors: | Mena, E.L, Jevtic, P, Greber, B.J, Gee, C.L, Lew, B.G, Akopian, D, Nogales, E, Kuriyan, J, Rape, M. | | Deposit date: | 2020-03-31 | | Release date: | 2020-08-19 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (8.5 Å) | | Cite: | Structural basis for dimerization quality control.
Nature, 586, 2020
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6WFO
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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1FUI
 | | L-FUCOSE ISOMERASE FROM ESCHERICHIA COLI | | Descriptor: | FUCITOL, L-FUCOSE ISOMERASE, MANGANESE (II) ION, ... | | Authors: | Seemann, J.E, Schulz, G.E. | | Deposit date: | 1997-04-14 | | Release date: | 1997-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and mechanism of L-fucose isomerase from Escherichia coli.
J.Mol.Biol., 273, 1997
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6BWG
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1MJY
 | | STRUCTURE OF INORGANIC PYROPHOSPHATASE MUTANT D70N | | Descriptor: | INORGANIC PYROPHOSPHATASE | | Authors: | Oganesyan, V, Harutyunyan, E.H, Avaeva, S.M, Huber, R. | | Deposit date: | 1997-02-08 | | Release date: | 1997-12-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Three-dimensional structures of mutant forms of E. coli inorganic pyrophosphatase with Asp-->Asn single substitution in positions 42, 65, 70, and 97.
Biochemistry Mosc., 63, 1998
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5A82
 | | Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3- yloxymethyl)-1-thiane-1,1-dione | | Descriptor: | 1,2-ETHANEDIOL, 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C, Bamborough, P, Demont, E. | | Deposit date: | 2015-07-11 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
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6WL7
 | | Cryo-EM of Form 2 like peptide filament, 29-20-2 | | Descriptor: | peptide 29-20-2 | | Authors: | Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P. | | Deposit date: | 2020-04-18 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
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5ACI
 | | 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, Johanson, K.S, Lo Leggio, L. | | Deposit date: | 2015-08-17 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Nat. Chem. Biol., 12, 2016
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5FKX
 | | Structure of E.coli inducible lysine decarboxylase at active pH | | Descriptor: | LYSINE DECARBOXYLASE, INDUCIBLE | | Authors: | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | | Deposit date: | 2015-10-20 | | Release date: | 2016-09-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava.
Sci.Rep., 6, 2016
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5FL2
 | | Revisited cryo-EM structure of Inducible lysine decarboxylase complexed with LARA domain of RavA ATPase | | Descriptor: | ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE | | Authors: | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | | Deposit date: | 2015-10-21 | | Release date: | 2016-09-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava.
Sci.Rep., 6, 2016
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1CQI
 | | Crystal Structure of the Complex of ADP and MG2+ with Dephosphorylated E. Coli Succinyl-CoA Synthetase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COENZYME A, MAGNESIUM ION, ... | | Authors: | Joyce, M.A, Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T. | | Deposit date: | 1999-08-06 | | Release date: | 2000-01-07 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | ADP-binding site of Escherichia coli succinyl-CoA synthetase revealed by x-ray crystallography.
Biochemistry, 39, 2000
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4ZZQ
 | | Dictyostelium discoideum cellobiohydrolase Cel7A apo structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, DI(HYDROXYETHYL)ETHER | | Authors: | Momeni, M.H, Hobdey, S.E, Knott, B, Beckham, G.T, Stahlberg, J. | | Deposit date: | 2015-04-13 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biochemical and Structural Characterization of Two Dictyostelium Cellobiohydrolases from the Amoebozoa Kingdom Reveal a High Conservation between Distant Phylogenetic Trees of Life.
Appl.Environ.Microbiol., 82, 2016
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5A80
 | | Crystal structure of human JMJD2A in complex with compound 40 | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | Deposit date: | 2015-07-11 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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6WL3
 | | preTCRbeta-pMHC complex crystal structure | | Descriptor: | ARG-GLY-TYR-LEU-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | | Deposit date: | 2020-04-18 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection.
Science, 371, 2021
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