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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4MBJ
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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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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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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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4FC0
 | | Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor | | Descriptor: | 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Yano, J.K, Aertgeerts, K. | | Deposit date: | 2012-05-23 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.
Bioorg.Med.Chem., 20, 2012
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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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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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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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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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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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3HRZ
 | | Cobra Venom Factor (CVF) in complex with human 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, Cobra venom factor, ... | | Authors: | Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P. | | Deposit date: | 2009-06-10 | | Release date: | 2009-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Embo J., 28, 2009
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3HS0
 | | Cobra Venom Factor (CVF) in complex with human 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, Cobra venom factor, ... | | Authors: | Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P. | | Deposit date: | 2009-06-10 | | Release date: | 2009-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Embo J., 28, 2009
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4HYM
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | | Descriptor: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, Topoisomerase IV, subunit B | | Authors: | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | | Deposit date: | 2012-11-13 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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4O3X
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3PPK
 | | Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | | Descriptor: | 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | Deposit date: | 2010-11-24 | | Release date: | 2011-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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1RH1
 | | crystal structure of the cytotoxic bacterial protein colicin B at 2.5 A resolution | | Descriptor: | Colicin B | | Authors: | Hilsenbeck, J.L, Park, H, Chen, G, Youn, B, Postle, K, Kang, C. | | Deposit date: | 2003-11-13 | | Release date: | 2004-03-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the cytotoxic bacterial protein colicin B at 2.5 A resolution
Mol.Microbiol., 51, 2004
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1XH3
 | | Conformational Restraints and Flexibility of 14-Meric Peptides in Complex with HLA-B*3501 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | Authors: | Probst-Kepper, M, Hecht, H.J, Herrmann, H, Janke, V, Ocklenburg, F, Klempnauer, J, van den Eynde, B.J, Weiss, S. | | Deposit date: | 2004-09-17 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Conformational restraints and flexibility of 14-meric peptides in complex with HLA-B*3501.
J.Immunol., 173, 2004
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6AGX
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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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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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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: | 2022-03-02 | | 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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1TGO
 | | THERMOSTABLE B TYPE DNA POLYMERASE FROM THERMOCOCCUS GORGONARIUS | | Descriptor: | PROTEIN (THERMOSTABLE B DNA POLYMERASE) | | Authors: | Hopfner, K.-P, Eichinger, A, Engh, R.A, Laue, F, Ankenbauer, W, Huber, R, Angerer, B. | | Deposit date: | 1999-02-23 | | Release date: | 1999-03-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a thermostable type B DNA polymerase from Thermococcus gorgonarius.
Proc.Natl.Acad.Sci.USA, 96, 1999
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6B71
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with3-(4-chlorophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole | | Descriptor: | 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-10-03 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-(4-chlorophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole
To Be Published
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