5CQA
| Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide | Authors: | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-07-21 | Release date: | 2015-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (SGC - Diamond I04-1 fragment screening) To be published
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4LFD
| Staphylococcus aureus sortase B-substrate complex | Descriptor: | (CBZ)NPQ(B27) PEPTIDE, SULFATE ION, Sortase B | Authors: | Jacobitz, A.W, Sawaya, M.R, Yi, S.W, Amer, B.R, Huang, G.L, Nguyen, A.V, Jung, M.E, Clubb, R.T. | Deposit date: | 2013-06-26 | Release date: | 2014-02-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural and Computational Studies of the Staphylococcus aureus Sortase B-Substrate Complex Reveal a Substrate-stabilized Oxyanion Hole. J.Biol.Chem., 289, 2014
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7X6T
| Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold | Descriptor: | (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide, Isoform C of Bromodomain-containing protein 4 | Authors: | Cao, D, Xiong, B. | Deposit date: | 2022-03-08 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold To Be Published
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4MBZ
| Structure of B-Lymphotropic Polyomavirus VP1 in complex with 3'-sialyllactosamine | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Khan, Z.M, Neu, U, Stehle, T. | Deposit date: | 2013-08-21 | Release date: | 2013-12-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of B-Lymphotropic Polyomavirus VP1 in Complex with Oligosaccharide Ligands. Plos Pathog., 9, 2013
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4MBY
| Structure of B-Lymphotropic Polyomavirus VP1 in complex with 3'-sialyllactose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Khan, Z.M, Neu, U, Stehle, T. | Deposit date: | 2013-08-21 | Release date: | 2013-12-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structures of B-Lymphotropic Polyomavirus VP1 in Complex with Oligosaccharide Ligands. Plos Pathog., 9, 2013
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1HZ0
| NMR STRUCTURE OF THE 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE (PHIP) C8-DEOXYGUANOSINE ADDUCT IN DUPLEX DNA | Descriptor: | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | Authors: | Brown, K, Cosman, M. | Deposit date: | 2001-01-23 | Release date: | 2001-08-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the 2-amino-1- methyl-6-phenylimidazo[4,5-b]pyridine C8-deoxyguanosine adduct in duplex DNA. Proc.Natl.Acad.Sci.USA, 98, 2001
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3D4Q
| Pyrazole-based inhibitors of B-Raf kinase | Descriptor: | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime, B-Raf proto-oncogene serine/threonine-protein kinase | Authors: | Morales, T, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2008-05-14 | Release date: | 2008-08-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Potent and selective pyrazole-based inhibitors of B-Raf kinase. Bioorg.Med.Chem.Lett., 18, 2008
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2OK5
| Human Complement factor B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement factor B, ... | Authors: | Milder, F.J, Gomes, L, Schouten, A, Janssen, B.J.C, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P. | Deposit date: | 2007-01-16 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Factor B structure provides insights into activation of the central protease of the complement system. Nat.Struct.Mol.Biol., 14, 2007
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1IAU
| HUMAN GRANZYME B IN COMPLEX WITH AC-IEPD-CHO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GRANZYME B, ... | Authors: | Rotonda, J, Garcia-Calvo, M, Bull, H.G, Geissler, W.M, McKeever, B.M, Willoughby, C.A, Thornberry, N.A, Becker, J.W. | Deposit date: | 2001-03-23 | Release date: | 2001-05-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The three-dimensional structure of human granzyme B compared to caspase-3, key mediators of cell death with cleavage specificity for aspartic acid in P1. Chem.Biol., 8, 2001
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4AOI
| Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile | Descriptor: | 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Grodsky, N, Ryan, K, Cui, J.J. | Deposit date: | 2012-03-27 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer. J.Med.Chem., 55, 2012
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1STF
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1VCJ
| Influenza B virus neuraminidase complexed with 1-(4-Carboxy-2-(3-pentylamino)phenyl)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one | Descriptor: | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID, NEURAMINIDASE | Authors: | Lommer, B.S, Ali, S.M, Bajpai, S.N, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 2004-03-09 | Release date: | 2004-03-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A benzoic acid inhibitor induces a novel conformational change in the active site of Influenza B virus neuraminidase. Acta Crystallogr.,Sect.D, 60, 2004
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4RGM
| Structure of Staphylococcal Enterotoxin B bound to the neutralizing antibody 20B1 | Descriptor: | 20B1 heavy chain, 20B1 light chain, Enterotoxin type B | Authors: | Franklin, M.C, Dutta, K, Varshney, A.K, Goger, M.J, Fries, B.C. | Deposit date: | 2014-09-30 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.689 Å) | Cite: | Mechanisms mediating enhanced neutralization efficacy of staphylococcal enterotoxin B by combinations of monoclonal antibodies. J.Biol.Chem., 290, 2015
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4RGN
| Structure of Staphylococcal Enterotoxin B bound to two neutralizing antibodies, 14G8 and 6D3 | Descriptor: | 14G8 heavy chain, 14G8 light chain, 6D3 heavy chain, ... | Authors: | Franklin, M.C, Dutta, K, Varshney, A.K, Goger, M.J, Fries, B.C. | Deposit date: | 2014-09-30 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Mechanisms mediating enhanced neutralization efficacy of staphylococcal enterotoxin B by combinations of monoclonal antibodies. J.Biol.Chem., 290, 2015
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4PP7
| Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | Descriptor: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | Deposit date: | 2014-02-26 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 24, 2014
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4O3W
| Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Tyr-63-Ala from Actinobacillus suis H57 | Descriptor: | GLYCEROL, SULFATE ION, Transferrin binding protein B | Authors: | Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F. | Deposit date: | 2013-12-18 | Release date: | 2015-01-14 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities. Infect.Immun., 83, 2015
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1SS2
| Solution structure of the second complement control protein (CCP) module of the GABA(B)R1a receptor, Pro-119 cis conformer | Descriptor: | Gamma-aminobutyric acid type B receptor, subunit 1 | Authors: | Blein, S, Uhrin, D, Smith, B.O, White, J.H, Barlow, P.N. | Deposit date: | 2004-03-23 | Release date: | 2004-10-12 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structural analysis of the complement control protein (CCP) modules of GABA(B) receptor 1a: only one of the two CCP modules is compactly folded. J.Biol.Chem., 279, 2004
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4RGO
| Structure of Staphylococcal Enterotoxin B bound to the neutralizing antibody 14G8 | Descriptor: | 14G8 heavy chain, 14G8 light chain, ACETATE ION, ... | Authors: | Franklin, M.C, Dutta, K, Varshney, A.K, Goger, M.J, Fries, B.C. | Deposit date: | 2014-09-30 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanisms mediating enhanced neutralization efficacy of staphylococcal enterotoxin B by combinations of monoclonal antibodies. J.Biol.Chem., 290, 2015
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3TV6
| Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor | Descriptor: | 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C, Sturgis, H.L, Wu, W.-I. | Deposit date: | 2011-09-19 | Release date: | 2011-10-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors. ACS Med Chem Lett, 2, 2011
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4BOM
| Structure of herpesvirus fusion glycoprotein B-bilayer complex revealing the protein-membrane and lateral protein-protein interaction | Descriptor: | ENVELOPE GLYCOPROTEIN B | Authors: | Maurer, U.E, Zeev-Ben-Mordehai, Z, Pandurangan, A.P, Cairns, T.M, Hannah, B.P, Whitbeck, J.C, Eisenberg, R.J, Cohen, G.H, Topf, M, Huiskonen, J.T, Grunewald, K. | Deposit date: | 2013-05-21 | Release date: | 2013-07-31 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (27 Å) | Cite: | The structure of herpesvirus fusion glycoprotein B-bilayer complex reveals the protein-membrane and lateral protein-protein interaction. Structure, 21, 2013
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3VBC
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1T0Y
| Solution Structure of a Ubiquitin-Like Domain from Tubulin-binding Cofactor B | Descriptor: | tubulin folding cofactor B | Authors: | Lytle, B.L, Peterson, F.C, Qui, S.H, Luo, M, Volkman, B.F, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-04-13 | Release date: | 2004-04-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of a Ubiquitin-like Domain from Tubulin-binding Cofactor B. J.Biol.Chem., 279, 2004
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4O3X
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1KWM
| Human procarboxypeptidase B: Three-dimensional structure and implications for thrombin-activatable fibrinolysis inhibitor (TAFI) | Descriptor: | CITRIC ACID, Procarboxypeptidase B, ZINC ION | Authors: | Pereira, P.J.B, Segura-Martin, S, Ferrer-Orta, C, Vendrell, J, Aviles, F.-X, Coll, M, Gomis-Rueth, F.-X. | Deposit date: | 2002-01-30 | Release date: | 2002-06-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Human procarboxypeptidase B: three-dimensional structure and implications for thrombin-activatable fibrinolysis inhibitor (TAFI). J.Mol.Biol., 321, 2002
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3ETA
| Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor | Descriptor: | 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain | Authors: | Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S. | Deposit date: | 2008-10-07 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
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