PDB: 19228 resultsInfo pagesStatus searchChemie searchBIRD

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3KNV	Crystal structure of the RING and first zinc finger domains of TRAF2 Descriptor: TNF receptor-associated factor 2, ZINC ION Authors: Yin, Q, Wu, H. Deposit date: 2009-11-12 Release date: 2009-11-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural basis for the lack of E2 interaction in the RING domain of TRAF2. Biochemistry, 48, 2009
2QU5	Crystal structure of the VEGFR2 kinase domain in complex with a benzimidazole inhibitor Descriptor: 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide, Vascular endothelial growth factor receptor 2 Authors: Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. Deposit date: 2007-08-03 Release date: 2007-09-25 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors. J.Med.Chem., 50, 2007
3KOB	DTD from Plasmodium falciparum in complex with D-Glutamic acid Descriptor: D-GLUTAMIC ACID, D-tyrosyl-tRNA(Tyr) deacylase Authors: Manickam, Y, Bhatt, T.K, Sharma, A. Deposit date: 2009-11-13 Release date: 2009-12-08 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.99 Å) Cite: Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase J.Biol.Chem., 285, 2010
3KOR	Crystal structure of a putative Trp repressor from Staphylococcus aureus Descriptor: Possible Trp repressor Authors: Lam, R, Vodsedalek, J, Lam, K, Romanov, V, Battaile, K.P, Beletskaya, I, Pai, E.F, Chirgadze, N.Y. Deposit date: 2009-11-13 Release date: 2010-11-17 Last modified: 2017-11-01 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of a putative Trp repressor from Staphylococcus aureus To be Published
3KI5	Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with inhibitor GP-M Descriptor: Cholix toxin, N-(6-oxo-5,6-dihydrobenzo[c][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide Authors: Jorgensen, R, Edwards, P.R, Merrill, A.R. Deposit date: 2009-10-31 Release date: 2010-10-27 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Structure function analysis of soluble inhibitors of cholix toxin from Vibrio cholerae To be Published
3KIE	Crystal structure of adeno-associated virus serotype 3B Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein VP1 Authors: Lerch, T.F, Xie, Q, Chapman, M.S. Deposit date: 2009-11-01 Release date: 2010-04-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (3 Å) Cite: The structure of adeno-associated virus serotype 3B (AAV-3B): insights into receptor binding and immune evasion. Virology, 403, 2010
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
5JW9	The Crystal Structure of ELL2 Oclludin Domain and AFF4 peptide Descriptor: AF4/FMR2 family member 4, RNA polymerase II elongation factor ELL2 Authors: Qi, S, Hurley, J.H. Deposit date: 2016-05-11 Release date: 2017-02-08 Method: X-RAY DIFFRACTION (2.003 Å) Cite: Structural basis for ELL2 and AFF4 activation of HIV-1 proviral transcription. Nat Commun, 8, 2017
3KMD	Crystal structure of the p53 core domain bound to a full consensus site as a self-assembled tetramer Descriptor: 5'-D(*GP*GP*GP*CP*AP*TP*GP*CP*CP*TP*AP*GP*GP*CP*AP*TP*GP*CP*C)-3', Cellular tumor antigen p53, ZINC ION Authors: Chen, Y, Dey, R, Chen, L. Deposit date: 2009-11-10 Release date: 2010-02-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Crystal structure of the p53 core domain bound to a full consensus site as a self-assembled tetramer. Structure, 18, 2010
6USZ	Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Vigers, G.P, Smith, D.J. Deposit date: 2019-10-28 Release date: 2020-04-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
3KMY	Structure of BACE bound to SCH12472 Descriptor: 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine, Beta-secretase 1 Authors: Strickland, C, Wang, Y. Deposit date: 2009-11-11 Release date: 2010-01-19 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors. J.Med.Chem., 53, 2010
5TZX	CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3-chloro-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine Descriptor: (3-chloro-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone, MAGNESIUM ION, ZINC ION, ... Authors: Xu, R, Aertgeerts, K. Deposit date: 2016-11-22 Release date: 2017-02-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders. J. Med. Chem., 60, 2017
3KE1	Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with a fragment-nucleoside fusion D000161829 Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine, POTASSIUM ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-10-23 Release date: 2009-11-10 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei. Bioorg.Med.Chem.Lett., 8, 2013
3KNU	Crystal structure of tRNA (guanine-N1)-methyltransferase from Anaplasma phagocytophilum Descriptor: tRNA (guanine-N(1)-)-methyltransferase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-11-12 Release date: 2009-11-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Crystal structure of tRNA (guanine-N1)-methyltransferase from Anaplasma phagocytophilum To be Published
2QJR	dipepdyl peptidase IV in complex with inhibitor PZF Descriptor: (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Shenping, L. Deposit date: 2007-07-09 Release date: 2008-07-29 Last modified: 2022-04-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: (3R,4S)-4-(2,4,5-Trifluorophenyl)-pyrrolidin-3-ylamine inhibitors of dipeptidyl peptidase IV: synthesis, in vitro, in vivo, and X-ray crystallographic characterization. Bioorg.Med.Chem.Lett., 17, 2007
3KO8	Crystal Structure of UDP-galactose 4-epimerase Descriptor: NAD-dependent epimerase/dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION Authors: Sakuraba, H, Kawai, T, Yoneda, K, Ohshima, T. Deposit date: 2009-11-13 Release date: 2010-11-17 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of UDP-galactose 4-epimerase from the hyperthermophilic archaeon Pyrobaculum calidifontis Arch.Biochem.Biophys., 512, 2011
5K0J	Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... Authors: Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. Deposit date: 2016-05-17 Release date: 2016-09-07 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
5K03	Crystal Structure of COMT in complex with 2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine Descriptor: 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION Authors: Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. Deposit date: 2016-05-17 Release date: 2016-09-07 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
3KPH	Crystal structure of Mycoplasma arthritidis-derived mitogen Descriptor: PHOSPHATE ION, Superantigen Authors: Liu, L.H, Li, H.M. Deposit date: 2009-11-16 Release date: 2010-05-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal Structure of the Mycoplasma arthritidis-Derived Mitogen in Apo Form Reveals a 3D Domain-Swapped Dimer. J.Mol.Biol., 399, 2010
3KF2	The HCV NS3/NS4A protease apo structure Descriptor: 19-mer peptide from Genome polyprotein, Polyprotein, ZINC ION Authors: Lindberg, J.D, Nystrom, S, Cummings, M.D. Deposit date: 2009-10-27 Release date: 2010-03-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target Angew.Chem.Int.Ed.Engl., 49, 2010
3KGS	V30M mutant human transthyretin (TTR) (apoV30M) pH 7.5 Descriptor: Transthyretin Authors: Trivella, D.B, Polikarpov, I. Deposit date: 2009-10-29 Release date: 2010-03-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding. J.Struct.Biol., 170, 2010
3KPQ	Crystal Structure of HLA B*4405 in complex with EEYLKAWTF, a mimotope Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ... Authors: Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J. Deposit date: 2009-11-16 Release date: 2009-12-22 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.84 Å) Cite: T cell allorecognition via molecular mimicry. Immunity, 31, 2009
3KQ5	Crystal structure of an uncharacterized protein from Coxiella burnetii Descriptor: Hypothetical cytosolic protein Authors: Bonanno, J.B, Freeman, M, Bain, K.T, Chang, S, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2009-11-17 Release date: 2009-12-08 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of an uncharacterized protein from Coxiella burnetii To be Published
3KGY	Crystal structure of Putative dihydrofolate reductase (YP_001636057.1) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.50 A resolution Descriptor: 1,2-ETHANEDIOL, Bifunctional deaminase-reductase domain protein, CHLORIDE ION, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2009-10-29 Release date: 2009-11-24 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal structure of Putative dihydrofolate reductase (YP_001636057.1) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.50 A resolution To be published
5K0N	Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, ... Authors: Ehler, A, Rodriguez-Sarmiento, R.M. Deposit date: 2016-05-17 Release date: 2016-09-07 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016

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