PDB: 225399 resultsInfo pagesStatus searchChemie searchBIRD

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3V6S	Discovery of potent and selective covalent inhibitors of JNK Descriptor: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10 Authors: Park, H, Laughlin, J.D, LoGrasso, P.V. Deposit date: 2011-12-20 Release date: 2012-02-01 Last modified: 2012-07-25 Method: X-RAY DIFFRACTION (2.97 Å) Cite: Discovery of potent and selective covalent inhibitors of JNK. Chem.Biol., 19, 2012
3V38	Carboxypeptidase T mutant L254N Descriptor: Carboxypeptidase T, GLYCEROL, SULFATE ION, ... Authors: Timofeev, V.I, Kuznetsov, S.A, Akparov, V.K, Kuranova, I.P. Deposit date: 2011-12-13 Release date: 2012-12-19 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Carboxypeptidase T mutant L254N TO BE PUBLISHED
8AYS	SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol Descriptor: 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1 Authors: Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. Deposit date: 2022-09-03 Release date: 2022-11-23 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.37 Å) Cite: Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening. Int J Mol Sci, 23, 2022
8AZ8	SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol Descriptor: 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1 Authors: Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. Deposit date: 2022-09-05 Release date: 2022-11-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.18 Å) Cite: Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening. Int J Mol Sci, 23, 2022
4FYU	Crystal structure of Thioredoxin from Wuchereria bancrofti at 2.0 Angstrom Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Thioredoxin Authors: Yousef, N, Prabhu, P, Ahmed, A, Iqbal, S, Betzel, C. Deposit date: 2012-07-05 Release date: 2013-08-07 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of Thioredoxin from Wuchereria bancrofti at 2.0 Angstrom TO BE PUBLISHED
3V5M	Crystal structure of M69V mutant of SHV beta-lactamase Descriptor: Beta-lactamase, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: van den Akker, F, Rodkey, E.A. Deposit date: 2011-12-16 Release date: 2012-08-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: The importance of the trans-enamine intermediate as a beta-lactamase inhibition strategy probed in inhibitor-resistant SHV beta-lactamase variants. Chemmedchem, 7, 2012
7NWK	Crystal structure of CDK9-Cyclin T1 bound by compound 6 Descriptor: Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide Authors: Collie, G.W, Ferguson, A.D. Deposit date: 2021-03-16 Release date: 2021-10-27 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.81 Å) Cite: Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement. J.Med.Chem., 64, 2021
3URD	T181A mutant of alpha-Lytic Protease Descriptor: Alpha-lytic protease, GLYCEROL, SULFATE ION Authors: Kelch, B.A, Agard, D.A. Deposit date: 2011-11-22 Release date: 2012-05-23 Last modified: 2019-07-17 Method: X-RAY DIFFRACTION (1.08 Å) Cite: Functional modulation of a protein folding landscape via side-chain distortion. Proc.Natl.Acad.Sci.USA, 109, 2012
4G3A	Crystal Structure of MAST/Orbit N-terminal domain Descriptor: CLIP-associating protein, GLYCEROL Authors: De la Mora-Rey, T. Deposit date: 2012-07-13 Release date: 2013-07-17 Method: X-RAY DIFFRACTION (1.994 Å) Cite: The structure of the TOG-like domain of Drosophila melanogaster Mast/Orbit. Acta Crystallogr.,Sect.F, 69, 2013
6WB6	2.05 A resolution structure of transferrin 1 from Manduca sexta Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... Authors: Lovell, S, Kashipathy, M.M, Battaile, K.P, Weber, J.J, Gorman, M.J. Deposit date: 2020-03-26 Release date: 2020-11-25 Last modified: 2021-03-03 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structural insight into the novel iron-coordination and domain interactions of transferrin-1 from a model insect, Manduca sexta. Protein Sci., 30, 2021
8AIO	CO-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) Descriptor: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... Authors: Duan, J, Hofmann, E, Happe, T. Deposit date: 2022-07-26 Release date: 2022-12-14 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway. Angew.Chem.Int.Ed.Engl., 62, 2023
4G2B	Structure of the Catalytic Domain of the Salmonella Virulence Factor SseI Descriptor: Secreted effector protein sseI Authors: Stebbins, C.E, Bhaskaran, S.S. Deposit date: 2012-07-11 Release date: 2012-11-28 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structure of the catalytic domain of the Salmonella virulence factor SseI. Acta Crystallogr.,Sect.D, 68, 2012
8AJ6	cyanide-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) Descriptor: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... Authors: Duan, J, Hofmann, E, Happe, T. Deposit date: 2022-07-27 Release date: 2022-12-14 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway. Angew.Chem.Int.Ed.Engl., 62, 2023
3V4N	The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthatse, mvaS, by Hymeglusin Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HMG-CoA synthase Authors: Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M. Deposit date: 2011-12-15 Release date: 2012-04-25 Last modified: 2014-09-10 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin. Biochemistry, 51, 2012
3V5N	The crystal structure of oxidoreductase from Sinorhizobium meliloti Descriptor: Oxidoreductase Authors: Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) Deposit date: 2011-12-16 Release date: 2012-01-04 Method: X-RAY DIFFRACTION (2.802 Å) Cite: The crystal structure of oxidoreductase from Sinorhizobium meliloti To be Published
8ALN	CO-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) at 1.34 Angstrom Descriptor: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... Authors: Duan, J, Hofmann, E, Happe, T. Deposit date: 2022-08-01 Release date: 2022-12-14 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.34 Å) Cite: Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway. Angew.Chem.Int.Ed.Engl., 62, 2023
8JJE	RBD of SARS-CoV2 spike protein with ACE2 decoy Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... Authors: Kishikawa, J, Hirose, M, Kato, T, Okamoto, T. Deposit date: 2023-05-30 Release date: 2023-12-27 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: An inhaled ACE2 decoy confers protection against SARS-CoV-2 infection in preclinical models. Sci Transl Med, 15, 2023
8A9G	Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1 Descriptor: 14-3-3 protein zeta/delta, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid, ... Authors: Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. Deposit date: 2022-06-28 Release date: 2022-12-28 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.961 Å) Cite: Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction. J.Med.Chem., 65, 2022
4G7W	Crystal structure of the N-terminal domain of the minor coat protein pIII from CTXphi Descriptor: Putative uncharacterized protein Authors: Kolappan, S, Ford, C.G, Craig, L. Deposit date: 2012-07-20 Release date: 2012-08-29 Last modified: 2012-11-07 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystal Structures of a CTX{varphi} pIII Domain Unbound and in Complex with a Vibrio cholerae TolA Domain Reveal Novel Interaction Interfaces. J.Biol.Chem., 287, 2012
8APR	CaMct - Mesaconyl-CoA C1:C4 CoA Transferase of Chloroflexus aurantiacus Descriptor: 2-methylfumaryl-CoA isomerase, CHLORIDE ION Authors: Pfister, P, Zarzycki, J, Erb, T.J. Deposit date: 2022-08-10 Release date: 2022-12-28 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural Basis for a Cork-Up Mechanism of the Intra-Molecular Mesaconyl-CoA Transferase. Biochemistry, 62, 2023
8AP2	cyanide-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) at 1.39 Angstrom Descriptor: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... Authors: Duan, J, Hofmann, E, Happe, T. Deposit date: 2022-08-09 Release date: 2022-12-14 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway. Angew.Chem.Int.Ed.Engl., 62, 2023
8B0B	Crystal structure of human heparanase in complex with covalent inhibitor VB151 Descriptor: (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Armstrong, Z, Davies, G.J. Deposit date: 2022-09-07 Release date: 2022-12-28 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.95 Å) Cite: 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors. Chemmedchem, 18, 2023
3V8U	The crystal structure of transferrin binding protein B (TbpB) from Neisseria meningitidis serogroup B Descriptor: Transferrin binding-protein B Authors: Noinaj, N, Easley, N, Buchanan, S.K. Deposit date: 2011-12-23 Release date: 2012-02-15 Last modified: 2012-04-18 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural basis for iron piracy by pathogenic Neisseria. Nature, 483, 2012
3VA4	Crystal structure of the mammalian MDC1 FHA domain complexed with CHK2 pThr68 peptide Descriptor: Mediator of DNA damage checkpoint protein 1, Serine/threonine-protein kinase Chk2 Authors: Wu, H.H, Wu, P.Y, Huang, K.F, Kao, Y.Y, Tsai, M.D. Deposit date: 2011-12-28 Release date: 2012-02-01 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Structural Delineation of MDC1-FHA Domain Binding with CHK2-pThr68. Biochemistry, 2012
4GBJ	Crystal structure of NAD-binding 6-phosphogluconate dehydrogenase from Dyadobacter fermentans Descriptor: 6-phosphogluconate dehydrogenase NAD-binding, SODIUM ION Authors: Michalska, K, Holowicki, J, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2012-07-27 Release date: 2012-09-05 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Crystal structure of NAD-binding 6-phosphogluconate dehydrogenase from Dyadobacter fermentans To be Published

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