PDB: 73050 resultsInfo pagesStatus searchChemie searchBIRD

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3RFT	Crystal structure of uronate dehydrogenase from Agrobacterium tumefaciens Descriptor: SULFATE ION, Uronate dehydrogenase Authors: Parkkinen, T, Rouvinen, J. Deposit date: 2011-04-07 Release date: 2011-06-15 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of Uronate Dehydrogenase from Agrobacterium tumefaciens. J.Biol.Chem., 286, 2011
3R1N	MK3 kinase bound to Compound 5b Descriptor: 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 3 Authors: Oubrie, A, Kazemier, B. Deposit date: 2011-03-11 Release date: 2011-05-25 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3SAD	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-mehtylphenyl)-2,4-dioxobutanoic acid inhibitor Descriptor: 4-(2-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-02 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
3S04	Crystal structure of Escherichia coli type I signal peptidase in complex with an Arylomycin Lipoglycopeptide Antibiotic Descriptor: 14-methylhexadec-9-enoic acid, Glyco-Arylomycin, Signal peptidase I, ... Authors: Paetzel, M, Luo, C. Deposit date: 2011-05-13 Release date: 2011-10-05 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Synthesis and characterization of the arylomycin lipoglycopeptide antibiotics and the crystallographic analysis of their complex with signal peptidase. J.Am.Chem.Soc., 133, 2011
3RVI	Structure of Bace-1 (Beta-Secretase) in Complex with 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide Descriptor: (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, GLYCEROL, ... Authors: Sickmier, E.A. Deposit date: 2011-05-06 Release date: 2011-08-31 Method: X-RAY DIFFRACTION (2.65 Å) Cite: From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1). J.Med.Chem., 54, 2011
3P9C	Crystal structure of perennial ryegrass LpOMT1 bound to SAH Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ... Authors: Louie, G.V, Noel, J.P, Bowman, M.E. Deposit date: 2010-10-17 Release date: 2011-01-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-Function Analyses of a Caffeic Acid O-Methyltransferase from Perennial Ryegrass Reveal the Molecular Basis for Substrate Preference. Plant Cell, 22, 2010
3UBX	Crystal structure of the mouse CD1d-C20:2-aGalCer-L363 mAb Fab complex Descriptor: (11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Yu, E.D, Zajonc, D.M. Deposit date: 2011-10-25 Release date: 2011-11-16 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structural basis for the recognition of C20:2-alpha GalCer by the invariant natural killer T cell receptor-like antibody L363. J.Biol.Chem., 287, 2012
3OVX	Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead Descriptor: 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide, Cathepsin S, DIMETHYL SULFOXIDE Authors: Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. Deposit date: 2010-09-17 Release date: 2010-12-22 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
4F08	Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2 Descriptor: 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 Authors: Murray, J.M. Deposit date: 2012-05-03 Release date: 2012-07-04 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.82 Å) Cite: Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2. J.Med.Chem., 55, 2012
4F2Y	Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer Descriptor: 5'-D(*GP*CP*GP*TP*AP*(XTF)P*AP*CP*GP*C)-3', MAGNESIUM ION Authors: Pallan, P.S, Egli, M. Deposit date: 2012-05-08 Release date: 2012-05-30 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-CeNA), a Nuclease Stable Mimic of 2'-Fluoro RNA. J.Org.Chem., 77, 2012
3UUB	The GLIC pentameric Ligand-Gated Ion Channel Loop2-21' mutant reduced in solution Descriptor: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... Authors: Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. Deposit date: 2011-11-28 Release date: 2012-05-16 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
3UEY	Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta Descriptor: PHOSPHATE ION, Protein kinase C delta type, ZINC ION Authors: Shanmugasundararaj, S, Stehle, T, Miller, K.W. Deposit date: 2011-10-31 Release date: 2012-12-12 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.301 Å) Cite: Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta Biophys.J., 103, 2012
4F2X	Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Heptamer Descriptor: 5'-D(*CP*GP*CP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*(XTF)P*GP*CP*G)-3', COBALT (III) ION, ... Authors: Pallan, P.S, Egli, M. Deposit date: 2012-05-08 Release date: 2012-05-30 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-CeNA), a Nuclease Stable Mimic of 2'-Fluoro RNA. J.Org.Chem., 77, 2012
3P9J	Aurora A kinase domain with phthalazinone pyrazole inhibitor Descriptor: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one, Serine/threonine-protein kinase 6 Authors: Kairies, N.A, Oliveira, T, Engh, R.A. Deposit date: 2010-10-17 Release date: 2011-03-23 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Phthalazinone pyrazoles as potent, selective, and orally bioavailable inhibitors of aurora-a kinase. J.Med.Chem., 54, 2011
3OVZ	Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead Descriptor: Cathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION Authors: Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. Deposit date: 2010-09-17 Release date: 2010-12-22 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
4EYZ	Crystal structure of an uncommon cellulosome-related protein module from Ruminococcus flavefaciens that resembles papain-like cysteine peptidases Descriptor: 1,2-ETHANEDIOL, Cellulosome-related protein module from Ruminococcus flavefaciens that resembles papain-like cysteine peptidases Authors: Frolow, F, Voronov-Goldman, M, Bayer, E, Lamed, R. Deposit date: 2012-05-02 Release date: 2013-03-20 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.383 Å) Cite: Crystal Structure of an Uncommon Cellulosome-Related Protein Module from Ruminococcus flavefaciens That Resembles Papain-Like Cysteine Peptidases. Plos One, 8, 2013
4FK9	High Resolution Structure of the Catalytic Domain of Mannanase SActE_2347 from Streptomyces sp. SirexAA-E Descriptor: CHLORIDE ION, Cellulose-binding family II, MAGNESIUM ION Authors: Acheson, J.F, Takasuka, T.E, Fox, B.G. Deposit date: 2012-06-13 Release date: 2013-06-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.06 Å) Cite: Biochemical properties and atomic resolution structure of a proteolytically processed beta-mannanase from cellulolytic Streptomyces sp. SirexAA-E. Plos One, 9, 2014
4M62	Ontogeny of recognition specificity and functionality for the anti-HIV neutralizing antibody 4E10 Descriptor: GEP2 FV heavy chain, GEP2 FV light chain, SULFATE ION, ... Authors: Finton, K.A.K. Deposit date: 2013-08-08 Release date: 2014-10-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10. Plos Pathog., 10, 2014
3SBO	Structure of E.coli GDH from native source Descriptor: CHLORIDE ION, NADP-specific glutamate dehydrogenase Authors: Gee, C.L, Zubieta, C, Echols, N, Totir, M. Deposit date: 2011-06-06 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (3.204 Å) Cite: Macro-to-Micro Structural Proteomics: Native Source Proteins for High-Throughput Crystallization. Plos One, 7, 2012
3OA5	The structure of chi1, a chitinase from Yersinia entomophaga Descriptor: Chi1, GLYCEROL, NONAETHYLENE GLYCOL Authors: Busby, J.N, Lott, J.S, Hurst, M.R.H. Deposit date: 2010-08-04 Release date: 2011-08-10 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Structural analysis of Chi1 Chitinase from Yen-Tc: the multisubunit insecticidal ABC toxin complex of Yersinia entomophaga J.Mol.Biol., 415, 2012
4LOI	Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(2',5')p] Descriptor: 2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one, PHOSPHATE ION, Stimulator of interferon genes protein Authors: Gao, P, Patel, D.J. Deposit date: 2013-07-12 Release date: 2013-08-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA. Cell(Cambridge,Mass.), 154, 2013
4LOK	Crystal structure of mSting in complex with c[G(3',5')pA(3',5')p] Descriptor: 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein Authors: Gao, P, Patel, D.J. Deposit date: 2013-07-12 Release date: 2013-08-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA. Cell(Cambridge,Mass.), 154, 2013
3WOW	Crystal structure of human CK2a with AMPPNP Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, MAGNESIUM ION, ... Authors: Kinoshita, T, Nakaniwa, T, Sekiguchi, Y, Sogabe, Y, Sakurai, A, Nakamura, S, Nakanishi, I, Shimada, K, Tanaka, M. Deposit date: 2014-01-06 Release date: 2015-02-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.5 Å) Cite: A hydrophobic residue divergence of CK2a contribute to a species-dependent variation for apigenin binding mode but not for an ATP analogue To be Published
5SXL	Structure of EspG3 chaperone from the type VII (ESX-3) secretion system, space group P3221 Descriptor: ESX-3 secretion-associated protein EspG3 Authors: Korotkov, K.V. Deposit date: 2016-08-09 Release date: 2016-08-24 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.46 Å) Cite: Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems. J. Mol. Biol., 431, 2019
4K99	Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppdG(2 ,5 )pdG Descriptor: 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, 3'-deoxy-guanosine 5'-monophosphate, Cyclic GMP-AMP synthase, ... Authors: Gao, P, Wu, Y, Patel, D.J. Deposit date: 2013-04-19 Release date: 2013-05-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase. Cell(Cambridge,Mass.), 153, 2013

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