2Y37
 
 | | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | | Descriptor: | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | | Deposit date: | 2010-12-19 | | Release date: | 2011-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
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7X4K
 | | Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 9A3 (classified from CVB1 mature virion in complex with 8A10 and 9A3) | | Descriptor: | 9A3 heavy chain, 9A3 light chain, Genome polyprotein, ... | | Authors: | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | | Deposit date: | 2022-03-02 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.82 Å) | | Cite: | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
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7X4M
 | | Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 8A10 (classified from CVB1 mature virion in complex with 8A10, 2E6 and 9A3) | | Descriptor: | 8A10 heavy chain, 8A10 light chain, Capsid protein VP4, ... | | Authors: | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | | Deposit date: | 2022-03-02 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
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2Y51
 | | Crystal structure of E167A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400 | | Descriptor: | ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL | | Authors: | Bains, J, Leon, R, Temke, K.G, Boulanger, M.J. | | Deposit date: | 2011-01-11 | | Release date: | 2011-06-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400.
Protein Sci., 20, 2011
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2Y48
 | | Crystal structure of LSD1-CoREST in complex with a N-terminal SNAIL peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC DEMETHYLASE 1A, REST COREPRESSOR 1, ... | | Authors: | Baron, R, Binda, C, Tortorici, M, McCammon, J.A, Mattevi, A. | | Deposit date: | 2011-01-05 | | Release date: | 2011-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular Mimicry and Ligand Recognition in Binding and Catalysis by the Histone Demethylase Lsd1-Corest Complex.
Structure, 19, 2011
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2Y0I
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER) | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ... | | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2010-12-02 | | Release date: | 2011-02-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Factor-inhibiting hypoxia-inducible factor (FIH) catalyses the post-translational hydroxylation of histidinyl residues within ankyrin repeat domains.
FEBS J., 278, 2011
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2XVN
 | | A. fumigatus chitinase A1 phenyl-methylguanylurea complex | | Descriptor: | 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION | | Authors: | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | | Deposit date: | 2010-10-26 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
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2XYP
 | | Caspase-3:CAS26049945 | | Descriptor: | CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE | | Authors: | Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R. | | Deposit date: | 2010-11-18 | | Release date: | 2011-08-17 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
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3LLM
 | | Crystal Structure Analysis of a RNA Helicase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, CACODYLATE ION, ... | | Authors: | Schutz, P, Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-01-29 | | Release date: | 2010-05-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of human RNA helicase A (DHX9): structural basis for unselective nucleotide base binding in a DEAD-box variant protein.
J.Mol.Biol., 400, 2010
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2Y53
 | | Crystal structure of E257Q mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400 | | Descriptor: | ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bains, J, Leon, R, Temke, K.G, Boulanger, M.J. | | Deposit date: | 2011-01-11 | | Release date: | 2011-06-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400.
Protein Sci., 20, 2011
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7WXM
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7WXN
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7WXR
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7WXP
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7WXL
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1DKH
 | | CRYSTAL STRUCTURE OF THE HEMOPHORE HASA, PH 6.5 | | Descriptor: | HEME-BINDING PROTEIN A, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ... | | Authors: | Arnoux, P, Haser, R, Izadi-Pruneyre, N, Lecroisey, A, Czjzek, M. | | Deposit date: | 1999-12-07 | | Release date: | 2000-12-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Functional aspects of the heme bound hemophore HasA by structural analysis of various crystal forms.
Proteins, 41, 2000
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7WXO
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7WXQ
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7WXK
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7WXJ
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3KWJ
 | | Structure of human DPP-IV with (2S,3S,11bS)-3-(3-Fluoromethyl-phenyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine | | Descriptor: | (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form | | Authors: | Hennig, M, Stihle, M, Thoma, R. | | Deposit date: | 2009-12-01 | | Release date: | 2010-09-15 | | Last modified: | 2020-09-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Aryl- and heteroaryl-substituted aminobenzo[a]quinolizines as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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2V10
 | | Crystal Structure of Renin with Inhibitor 9 | | Descriptor: | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE, RENIN | | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | | Deposit date: | 2007-05-21 | | Release date: | 2007-07-03 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
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2VLA
 | | Crystal structure of restriction endonuclease BpuJI recognition domain in complex with cognate DNA | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5'-D(*GP*GP*TP*AP*CP*CP*CP*GP*TP*GP *GP*A)-3', 5'-D(*TP*CP*CP*AP*CP*GP*GP*GP*TP*AP *CP*C)-3', ... | | Authors: | Sukackaite, R, Grazulis, S, Bochtler, M, Siksnys, V. | | Deposit date: | 2008-01-11 | | Release date: | 2008-05-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The Recognition Domain of the Bpuji Restriction Endonuclease in Complex with Cognate DNA at 1.3-A Resolution.
J.Mol.Biol., 378, 2008
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2OEP
 | | MSrecA-ADP-complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Protein recA | | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2006-12-31 | | Release date: | 2007-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
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7XUZ
 | | Crystal structure of a HDAC4-MEF2A-DNA ternary complex | | Descriptor: | DNA (5'-D(*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*A)-3'), Histone deacetylase 4, ... | | Authors: | Dai, S.Y, Guo, L, Dey, R, Guo, M, Bates, D, Cayford, J, Chen, X.J, Wei, X.D, Chen, L, Chen, Y.H. | | Deposit date: | 2022-05-20 | | Release date: | 2023-11-29 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (3.591 Å) | | Cite: | Structural insights into the HDAC4-MEF2A-DNA complex and its implication in long-range transcriptional regulation.
Nucleic Acids Res., 52, 2024
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