PDB: 66478 resultsInfo pagesStatus searchChemie searchBIRD

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5A8X	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. Deposit date: 2015-07-17 Release date: 2016-08-03 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
5A2C	Crystal Structure of Anoxybacillus Alpha-amylase Provides Insights into a New Glycosyl Hydrolase Subclass Descriptor: ALPHA-AMYLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Ng, C.L, Chai, K.P, Othman, N.F, Teh, A.H, Ho, K.L, Chan, K.G, Goh, K.M. Deposit date: 2015-05-17 Release date: 2016-03-30 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass. Sci.Rep., 6, 2016
5A0F	Crystal structure of Yersinia Afp18-modified RhoA Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... Authors: Jank, T, Schimpl, M, van Aalten, D.M. Deposit date: 2015-04-20 Release date: 2015-07-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2 Å) Cite: Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos. Nat Commun, 6, 2015
3IN8	Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic Descriptor: FORMIC ACID, Growth factor receptor-bound protein 2, N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide Authors: Benfield, A.P, Clements, J.H. Deposit date: 2009-08-11 Release date: 2009-11-17 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization. J.Am.Chem.Soc., 131, 2009
3IN7	Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic Descriptor: Growth factor receptor-bound protein 2, N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide Authors: Clements, J.H. Deposit date: 2009-08-11 Release date: 2009-11-17 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization. J.Am.Chem.Soc., 131, 2009
3IPZ	Crystal structure of Arabidopsis monothiol glutaredoxin AtGRXcp Descriptor: Monothiol glutaredoxin-S14, chloroplastic Authors: Li, L, Cheng, N, Wang, X. Deposit date: 2009-08-18 Release date: 2010-06-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure of Arabidopsis chloroplastic monothiol glutaredoxin AtGRXcp. Acta Crystallogr.,Sect.D, 66, 2010
3IMD	Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ... Authors: Clements, J.H. Deposit date: 2009-08-10 Release date: 2009-11-17 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization. J.Am.Chem.Soc., 131, 2009
3KHY	Crystal Structure of a propionate kinase from Francisella tularensis subsp. tularensis SCHU S4 Descriptor: Propionate kinase Authors: Brunzelle, J.S, Skarina, T, Sharma, S, Wang, Y, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2009-10-31 Release date: 2010-01-19 Last modified: 2014-10-01 Method: X-RAY DIFFRACTION (1.978 Å) Cite: Crystal Structure of a propionate kinase from Francisella tularensis subsp. tularensis SCHU S4 To be Published
3KPU	Crystal Structure of hPNMT in Complex AdoHcy and 4-quinolinol Descriptor: Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-4-ol Authors: Drinkwater, N, Martin, J.L. Deposit date: 2009-11-17 Release date: 2010-09-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
3K28	Crystal Structure of a glutamate-1-semialdehyde aminotransferase from Bacillus anthracis with bound Pyridoxal 5'Phosphate Descriptor: CALCIUM ION, CHLORIDE ION, Glutamate-1-semialdehyde 2,1-aminomutase 2, ... Authors: Sharma, S.S, Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2009-09-29 Release date: 2010-01-19 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal Structure of a glutamate-1-semialdehyde aminotransferase from Bacillus anthracis with bound Pyridoxal 5'Phosphate To be Published
3KQM	Crystal Structure of hPNMT in Complex AdoHcy and 4-Bromo-1H-imidazole Descriptor: 4-bromo-1H-imidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE Authors: Drinkwater, N, Martin, J.L. Deposit date: 2009-11-17 Release date: 2010-09-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
3L8X	P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor Descriptor: Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide Authors: Sack, J.S. Deposit date: 2010-01-04 Release date: 2010-03-02 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
3HVC	Crystal structure of human p38alpha MAP kinase Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14 Authors: Perry, J.J, Tainer, J.A. Deposit date: 2009-06-15 Release date: 2009-06-30 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses. J.Mol.Biol., 391, 2009
3I2E	Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1) Descriptor: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Authors: Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W. Deposit date: 2009-06-29 Release date: 2009-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
3KPY	Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole Descriptor: 6-chloro-1,3-dihydro-2H-indol-2-one, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE Authors: Drinkwater, N, Martin, J.L. Deposit date: 2009-11-17 Release date: 2010-09-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
3IMJ	Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic Descriptor: (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester, Growth factor receptor-bound protein 2 Authors: Clements, J.H. Deposit date: 2009-08-10 Release date: 2009-11-17 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization. J.Am.Chem.Soc., 131, 2009
3KFJ	Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-E-N-NH2 Tripeptide Mimic Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ... Authors: Clements, J.H. Deposit date: 2009-10-27 Release date: 2010-03-02 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Thermodynamic and structural effects of conformational constraints in protein-ligand interactions. Entropic paradoxy associated with ligand preorganization. J.Am.Chem.Soc., 131, 2009
3KPW	Crystal Structure of hPNMT in Complex AdoHcy and 1-Aminoisoquinoline Descriptor: ISOQUINOLIN-1-AMINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE Authors: Drinkwater, N, Martin, J.L. Deposit date: 2009-11-17 Release date: 2010-09-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
3KQP	Crystal Structure of hPNMT in Complex AdoHcy and 6-Aminoquinoline Descriptor: Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-6-amine Authors: Drinkwater, N, Martin, J.L. Deposit date: 2009-11-17 Release date: 2010-09-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
3KPV	Crystal Structure of hPNMT in Complex AdoHcy and Adenine Descriptor: ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE Authors: Drinkwater, N, Martin, J.L. Deposit date: 2009-11-17 Release date: 2010-09-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
3KQQ	Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid Descriptor: 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE Authors: Drinkwater, N, Martin, J.L. Deposit date: 2009-11-17 Release date: 2010-09-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
3L4E	1.5A Crystal Structure of a Putative Peptidase E Protein from Listeria monocytogenes EGD-e Descriptor: SULFATE ION, Uncharacterized peptidase Lmo0363 Authors: Brunzelle, J.S, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2009-12-19 Release date: 2010-07-14 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: 1.5A Crystal Structure of a Putative Peptidase E Protein from Listeria monocytogenes EGD-e To be Published
3KQO	Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine Descriptor: 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE Authors: Drinkwater, N, Martin, J.L. Deposit date: 2009-11-17 Release date: 2010-09-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
3LG3	1.4A Crystal Structure of Isocitrate Lyase from Yersinia pestis CO92 Descriptor: Isocitrate lyase Authors: Sharma, S.S, Brunzelle, J.S, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2010-01-19 Release date: 2010-04-14 Last modified: 2011-12-14 Method: X-RAY DIFFRACTION (1.4 Å) Cite: 1.4A Crystal Structure of Isocitrate Lyase from Yersinia pestis CO92 To be Published
3LU2	Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase Descriptor: Lmo2462 protein, ZINC ION Authors: Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2010-02-16 Release date: 2010-03-09 Last modified: 2018-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase To be Published

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