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 | | 分子名称: | 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | 著者 | 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. | | 登録日 | 2017-10-03 | | 公開日 | 2018-10-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | 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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1KWM
 | | Human procarboxypeptidase B: Three-dimensional structure and implications for thrombin-activatable fibrinolysis inhibitor (TAFI) | | 分子名称: | CITRIC ACID, Procarboxypeptidase B, ZINC ION | | 著者 | Pereira, P.J.B, Segura-Martin, S, Ferrer-Orta, C, Vendrell, J, Aviles, F.-X, Coll, M, Gomis-Rueth, F.-X. | | 登録日 | 2002-01-30 | | 公開日 | 2002-06-05 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Human procarboxypeptidase B: three-dimensional structure and implications for thrombin-activatable fibrinolysis inhibitor (TAFI).
J.Mol.Biol., 321, 2002
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6M9L
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | | 分子名称: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | | 著者 | Lane, W, Okada, K. | | 登録日 | 2018-08-23 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
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7X6T
 | | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold | | 分子名称: | (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 | | 著者 | Cao, D, Xiong, B. | | 登録日 | 2022-03-08 | | 公開日 | 2023-03-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
To Be Published
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5D7Y
 | | Crystal structure of Hepatitis B virus T=4 capsid in complex with the allosteric modulator HAP18 | | 分子名称: | Capsid protein, methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate | | 著者 | Venkatakrishnan, B, Katen, S.P, Zlotnick, A. | | 登録日 | 2015-08-14 | | 公開日 | 2016-02-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.894 Å) | | 主引用文献 | Hepatitis B Virus Capsids Have Diverse Structural Responses to Small-Molecule Ligands Bound to the Heteroaryldihydropyrimidine Pocket.
J.Virol., 90, 2016
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4FC0
 | | Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor | | 分子名称: | 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 | | 著者 | Yano, J.K, Aertgeerts, K. | | 登録日 | 2012-05-23 | | 公開日 | 2014-01-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | 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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3MXG
 | | Structure of Shiga Toxin type 2 (Stx2) B Pentamer Mutant Q40L | | 分子名称: | D-xylose, Shiga-like toxin 2 subunit B | | 著者 | Kovall, R.A, Vander Wielen, B.D, Friedmann, D.R, Flagler, M.J. | | 登録日 | 2010-05-07 | | 公開日 | 2011-01-12 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Molecular basis of differential B-pentamer stability of Shiga toxins 1 and 2.
Plos One, 5, 2010
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4MBJ
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3UAQ
 | | Crystal Structure of the N-lobe Domain of Lactoferrin Binding Protein B (LbpB) of Moraxella bovis | | 分子名称: | LbpB B-lobe | | 著者 | Arutyunova, E, Brooks, C.L, Beddeck, A, Mak, M.W, Schryvers, A.B, Lemieux, M.J. | | 登録日 | 2011-10-21 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.9318 Å) | | 主引用文献 | Crystal structure of the N-lobe of lactoferrin binding protein B from Moraxella bovis(1).
Biochem.Cell Biol., 90, 2012
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1RH1
 | | crystal structure of the cytotoxic bacterial protein colicin B at 2.5 A resolution | | 分子名称: | Colicin B | | 著者 | Hilsenbeck, J.L, Park, H, Chen, G, Youn, B, Postle, K, Kang, C. | | 登録日 | 2003-11-13 | | 公開日 | 2004-03-09 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of the cytotoxic bacterial protein colicin B at 2.5 A resolution
Mol.Microbiol., 51, 2004
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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 | | 分子名称: | Gamma-aminobutyric acid type B receptor, subunit 1 | | 著者 | Blein, S, Uhrin, D, Smith, B.O, White, J.H, Barlow, P.N. | | 登録日 | 2004-03-23 | | 公開日 | 2004-10-12 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 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 | | 分子名称: | tubulin folding cofactor B | | 著者 | Lytle, B.L, Peterson, F.C, Qui, S.H, Luo, M, Volkman, B.F, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2004-04-13 | | 公開日 | 2004-04-27 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of a Ubiquitin-like Domain from Tubulin-binding Cofactor B.
J.Biol.Chem., 279, 2004
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4LFD
 | | Staphylococcus aureus sortase B-substrate complex | | 分子名称: | (CBZ)NPQ(B27) PEPTIDE, SULFATE ION, Sortase B | | 著者 | Jacobitz, A.W, Sawaya, M.R, Yi, S.W, Amer, B.R, Huang, G.L, Nguyen, A.V, Jung, M.E, Clubb, R.T. | | 登録日 | 2013-06-26 | | 公開日 | 2014-02-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | 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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1TGO
 | | THERMOSTABLE B TYPE DNA POLYMERASE FROM THERMOCOCCUS GORGONARIUS | | 分子名称: | PROTEIN (THERMOSTABLE B DNA POLYMERASE) | | 著者 | Hopfner, K.-P, Eichinger, A, Engh, R.A, Laue, F, Ankenbauer, W, Huber, R, Angerer, B. | | 登録日 | 1999-02-23 | | 公開日 | 1999-03-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of a thermostable type B DNA polymerase from Thermococcus gorgonarius.
Proc.Natl.Acad.Sci.USA, 96, 1999
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4MBZ
 | | Structure of B-Lymphotropic Polyomavirus VP1 in complex with 3'-sialyllactosamine | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Khan, Z.M, Neu, U, Stehle, T. | | 登録日 | 2013-08-21 | | 公開日 | 2013-12-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structures of B-Lymphotropic Polyomavirus VP1 in Complex with Oligosaccharide Ligands.
Plos Pathog., 9, 2013
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4AP7
 | | Crystal structure of C-MET kinase domain in complex with 4-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl)phenol | | 分子名称: | 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol, HEPATOCYTE GROWTH FACTOR RECEPTOR | | 著者 | McTigue, M, Wickersham, J. | | 登録日 | 2012-03-30 | | 公開日 | 2012-09-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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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1IMJ
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4MBY
 | | Structure of B-Lymphotropic Polyomavirus VP1 in complex with 3'-sialyllactose | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Khan, Z.M, Neu, U, Stehle, T. | | 登録日 | 2013-08-21 | | 公開日 | 2013-12-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Structures of B-Lymphotropic Polyomavirus VP1 in Complex with Oligosaccharide Ligands.
Plos Pathog., 9, 2013
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3D4Q
 | | Pyrazole-based inhibitors of B-Raf kinase | | 分子名称: | (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 | | 著者 | Morales, T, Vigers, G.P.A, Brandhuber, B.J. | | 登録日 | 2008-05-14 | | 公開日 | 2008-08-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Potent and selective pyrazole-based inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 18, 2008
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2BFY
 | | Complex of Aurora-B with INCENP and Hesperadin. | | 分子名称: | AURORA KINASE B-A, INNER CENTROMERE PROTEIN A, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE | | 著者 | Sessa, F, Mapelli, M, Ciferri, C, Tarricone, C, Areces, L.B, Schneider, T.R, Stukenberg, P.T, Musacchio, A. | | 登録日 | 2004-12-15 | | 公開日 | 2005-05-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mechanism of Aurora B Activation by Incenp and Inhibition by Hesperadin
Mol.Cell, 18, 2005
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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. | | 分子名称: | 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 | | 著者 | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | | 登録日 | 2012-11-13 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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4O3W
 | | Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Tyr-63-Ala from Actinobacillus suis H57 | | 分子名称: | GLYCEROL, SULFATE ION, Transferrin binding protein B | | 著者 | Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F. | | 登録日 | 2013-12-18 | | 公開日 | 2015-01-14 | | 最終更新日 | 2015-03-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015
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3PPK
 | | Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | | 分子名称: | 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide, Serine/threonine-protein kinase B-raf | | 著者 | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | 登録日 | 2010-11-24 | | 公開日 | 2011-02-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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1XH3
 | | Conformational Restraints and Flexibility of 14-Meric Peptides in Complex with HLA-B*3501 | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | 著者 | Probst-Kepper, M, Hecht, H.J, Herrmann, H, Janke, V, Ocklenburg, F, Klempnauer, J, van den Eynde, B.J, Weiss, S. | | 登録日 | 2004-09-17 | | 公開日 | 2004-11-23 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Conformational restraints and flexibility of 14-meric peptides in complex with HLA-B*3501.
J.Immunol., 173, 2004
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4PP7
 | | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | | 分子名称: | 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 | | 著者 | 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. | | 登録日 | 2014-02-26 | | 公開日 | 2014-04-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | 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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