PDB: 97814 resultsInfo pagesStatus searchChemie searchBIRD

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5G0B	An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C Descriptor: CARBONIC ANHYDRASE 2, CHLORIDE ION, GLYCEROL, ... Authors: Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. Deposit date: 2016-03-17 Release date: 2016-05-25 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
6NEM	3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one bound to influenza 2009 pH1N1 endonuclease Descriptor: 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase acidic protein, ... Authors: Bauman, J.D, Arnold, E. Deposit date: 2018-12-17 Release date: 2019-05-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease. Chemmedchem, 14, 2019
6NEL	4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzoic acid bound to influenza 2009 pH1N1 endonuclease Descriptor: 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid, MAGNESIUM ION, MANGANESE (II) ION, ... Authors: Bauman, J.D, Arnold, E. Deposit date: 2018-12-17 Release date: 2019-05-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2 Å) Cite: Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease. Chemmedchem, 14, 2019
1Y6B	Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor Descriptor: N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2 Authors: Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. Deposit date: 2004-12-05 Release date: 2005-06-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J.Med.Chem., 48, 2005
3SPZ	DNA Polymerase(L415A/L561A/S565G/Y567A) Ternary Complex with dUpCpp Opposite dA (Ca2+) Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3', 5'-D(P*GP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ... Authors: Xia, S, Konigsberg, W.H, Wang, J. Deposit date: 2011-07-04 Release date: 2011-10-12 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase. Biochemistry, 50, 2011
2WHF	Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines Descriptor: 1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130 Authors: Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. Deposit date: 2009-05-04 Release date: 2009-07-14 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines. J. Biol. Chem., 284, 2009
1Y6A	Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor Descriptor: N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2 Authors: Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. Deposit date: 2004-12-05 Release date: 2005-06-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J.Med.Chem., 48, 2005
7ZOC	Crystal structure of the peptidase domain of collagenase H from Clostridium histolyticum in complex with N-aryl-2-alkylmercaptoacetamide-based inhibitor Descriptor: CALCIUM ION, Collagenase ColH, ZINC ION, ... Authors: Schoenauer, E, Brandstetter, H. Deposit date: 2022-04-25 Release date: 2023-05-10 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (1.91 Å) Cite: N-Aryl-2-iso-butylmercaptoacetamides: the discovery of highly potent and selective inhibitors of Pseudomonas aeruginosa virulence factor LasB and Clostridium histolyticum virulence factor ColH Chemrxiv, 2022
3SQ1	RB69 DNA Polymerase Ternary Complex with dUpCpp Opposite dA Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3', 5'-D(*TP*CP*GP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ... Authors: Xia, S, Konigsberg, W.H, Wang, J. Deposit date: 2011-07-04 Release date: 2011-10-12 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase. Biochemistry, 50, 2011
3SPY	RB69 DNA Polymerase(L415A/L561A/S565G/Y567A) Ternary Complex with dUpCpp Opposite dA Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3', 5'-D(*TP*CP*GP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ... Authors: Xia, S, Konigsberg, W.H, Wang, J. Deposit date: 2011-07-04 Release date: 2011-10-12 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase. Biochemistry, 50, 2011
3SQ0	DNA Polymerase(L561A/S565G/Y567A) Ternary Complex with dUpNpp Opposite dA (Mn2+) Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3', 5'-D(*TP*CP*AP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ... Authors: Xia, S, Konigsberg, W.H, Wang, J. Deposit date: 2011-07-04 Release date: 2011-10-12 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase. Biochemistry, 50, 2011
5G01	An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C Descriptor: CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SODIUM ION, ... Authors: Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. Deposit date: 2016-03-16 Release date: 2016-05-25 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.4 Å) Cite: An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
2WH8	Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines Descriptor: 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130 Authors: Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. Deposit date: 2009-05-01 Release date: 2009-07-14 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines. J. Biol. Chem., 284, 2009
3E0D	Insights into the Replisome from the Crystral Structure of the Ternary Complex of the Eubacterial DNA Polymerase III alpha-subunit Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase III subunit alpha, ... Authors: Wing, R.A, Bailey, S, Steitz, T.A. Deposit date: 2008-07-31 Release date: 2008-09-23 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (4.6 Å) Cite: Insights into the Replisome from the Structure of a Ternary Complex of the DNA Polymerase III alpha-Subunit. J.Mol.Biol., 382, 2008
5ISK	Endothiapepsin in complex with fluorinated primary amine fragment Descriptor: 2-amino-1-(4-fluorophenyl)ethan-1-one, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Radeva, N, Heine, A, Klebe, G. Deposit date: 2016-03-15 Release date: 2017-03-29 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.14 Å) Cite: Crystallographic Fragment Screening of an Entire Library to be published
4KXT	Structure of human ARGONAUTE1 in complex with guide RNA Descriptor: Protein argonaute-1, RNA Authors: Nakanishi, K, Patel, D.J. Deposit date: 2013-05-28 Release date: 2013-07-31 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.294 Å) Cite: Eukaryote-Specific Insertion Elements Control Human ARGONAUTE Slicer Activity. Cell Rep, 3, 2013
4CBC	Open-form NavMS Sodium Channel Pore (with C-terminal Domain) after thallium soak Descriptor: HEGA-10, ION TRANSPORT PROTEIN, SODIUM ION Authors: Bagneris, C, Naylor, C.E, Wallace, B.A. Deposit date: 2013-10-12 Release date: 2014-05-28 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.664 Å) Cite: Prokaryotic Navms Channel as a Structural and Functional Model for Eukaryotic Sodium Channel Antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
2WBL	Three-dimensional structure of a binary ROP-PRONE complex Descriptor: RAC-LIKE GTP-BINDING PROTEIN ARAC2, RHO OF PLANTS GUANINE NUCLEOTIDE EXCHANGE FACTOR 8 Authors: Thomas, C, Fricke, I, Weyand, M, Berken, A. Deposit date: 2009-03-02 Release date: 2009-04-14 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: 3D Structure of a Binary Rop-Prone Complex: The Final Intermediate for a Complete Set of Molecular Snapshots of the Ropgef Reaction. Biol.Chem., 390, 2009
5X8U	Crystal Structure of the wild Human ROR gamma Ligand Binding Domain. Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 Authors: Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. Deposit date: 2017-03-03 Release date: 2017-06-07 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
3S7A	Human dihydrofolate reductase binary complex with PT684 Descriptor: 4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5H-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid, Dihydrofolate reductase, SULFATE ION Authors: Cody, V, Pace, J, Nowak, J. Deposit date: 2011-05-26 Release date: 2011-10-05 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural analysis of human dihydrofolate reductase as a binary complex with the potent and selective inhibitor 2,4-diamino-6-{2'-O-(3-carboxypropyl)oxydibenz[b,f]-azepin-5-yl}methylpteridine reveals an unusual binding mode. Acta Crystallogr.,Sect.D, 67, 2011
5X8W	Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain. Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 Authors: Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. Deposit date: 2017-03-03 Release date: 2017-06-07 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
5X8X	Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A. Descriptor: (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 Authors: Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. Deposit date: 2017-03-03 Release date: 2017-06-07 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
3D2V	Structure of the eukaryotic TPP-specific riboswitch bound to the antibacterial compound pyrithiamine pyrophosphate Descriptor: 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM, MAGNESIUM ION, TPP-specific riboswitch Authors: Thore, S, Frick, C, Ban, N. Deposit date: 2008-05-09 Release date: 2008-07-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural basis of thiamine pyrophosphate analogues binding to the eukaryotic riboswitch J.Am.Chem.Soc., 130, 2008
5X8S	Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Ursolic acid. Descriptor: Nuclear receptor ROR-gamma, Ursolic acid Authors: Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. Deposit date: 2017-03-03 Release date: 2017-06-07 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
5Y8E	Crystal Structure of a prokaryotic SEFIR domain Descriptor: Sefir domain protein Authors: Zhang, R, Ye, S, Zhu, Y, Yang, H. Deposit date: 2017-08-21 Release date: 2018-04-04 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.804 Å) Cite: Structure of a prokaryotic SEFIR domain reveals two novel SEFIR-SEFIR interaction modes. J. Struct. Biol., 203, 2018

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