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1KWM
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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
6M9L
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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
1XR9
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BU of 1xr9 by Molmil
Crystal Structures of HLA-B*1501 in Complex with Peptides from Human UbcH6 and Epstein-Barr Virus EBNA-3
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Roder, G, Blicher, T, Johannessen, B.R, Kristensen, O, Buus, S, Gajhede, M.
登録日2004-10-14
公開日2005-04-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.788 Å)
主引用文献Crystal structures of two peptide-HLA-B*1501 complexes; structural characterization of the HLA-B62 supertype
Acta Crystallogr.,Sect.D, 62, 2006
1ZG9
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Crystal Structure of 5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B
分子名称: 5-{[AMINO(IMINO)METHYL]AMINO}-2-(SULFANYLMETHYL)PENTANOIC ACID, ZINC ION, procarboxypeptidase B
著者Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M.
登録日2005-04-20
公開日2005-07-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
1XR8
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BU of 1xr8 by Molmil
Crystal Structures of HLA-B*1501 in Complex with Peptides from Human UbcH6 and Epstein-Barr Virus EBNA-3
分子名称: Beta-2-microglobulin, EBNA-3 nuclear protein, GLYCEROL, ...
著者Roder, G, Blicher, T, Johannessen, B.R, Kristensen, O, Buus, S, Gajhede, M.
登録日2004-10-14
公開日2005-04-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of two peptide-HLA-B*1501 complexes; structural characterization of the HLA-B62 supertype
Acta Crystallogr.,Sect.D, 62, 2006
1ZG8
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Crystal Structure of (R)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B
分子名称: (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID, ZINC ION, procarboxypeptidase B
著者Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M.
登録日2005-04-20
公開日2005-07-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
1ZG7
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Crystal Structure of 2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B
分子名称: 2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID, ZINC ION, procarboxypeptidase B
著者Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M.
登録日2005-04-20
公開日2005-07-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
4CPZ
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Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Zanamivir
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-09
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPM
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Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-07
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPN
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BU of 4cpn by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Zanamivir
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-08
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPL
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BU of 4cpl by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-07
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4MBY
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BU of 4mby by Molmil
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
1STF
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BU of 1stf by Molmil
THE REFINED 2.4 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF RECOMBINANT HUMAN STEFIN B IN COMPLEX WITH THE CYSTEINE PROTEINASE PAPAIN: A NOVEL TYPE OF PROTEINASE INHIBITOR INTERACTION
分子名称: PAPAIN, STEFIN B (CYSTATIN B)
著者Stubbs, M.T, Laber, B, Bode, W.
登録日1993-04-21
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The refined 2.4 A X-ray crystal structure of recombinant human stefin B in complex with the cysteine proteinase papain: a novel type of proteinase inhibitor interaction.
EMBO J., 9, 1990
1NFK
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BU of 1nfk by Molmil
STRUCTURE OF THE NUCLEAR FACTOR KAPPA-B (NF-KB) P50 HOMODIMER
分子名称: DNA (5'-D(*TP*GP*GP*GP*AP*AP*TP*TP*CP*CP*C)-3'), PROTEIN (NUCLEAR FACTOR KAPPA-B (NF-KB))
著者Ghosh, G, Van Duyne, G, Ghosh, S, Sigler, P.B.
登録日1995-02-28
公開日1996-12-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of NF-kappa B p50 homodimer bound to a kappa B site.
Nature, 373, 1995
4O3W
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BU of 4o3w by Molmil
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
1Z5R
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BU of 1z5r by Molmil
Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B
分子名称: ZINC ION, procarboxypeptidase B
著者Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M.
登録日2005-03-18
公開日2005-07-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
3UAQ
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BU of 3uaq by Molmil
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
4FC0
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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
1CIT
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BU of 1cit by Molmil
DNA-BINDING MECHANISM OF THE MONOMERIC ORPHAN NUCLEAR RECEPTOR NGFI-B
分子名称: DNA (5'-D(*CP*CP*GP*AP*AP*AP*AP*GP*GP*TP*CP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*GP*AP*CP*CP*TP*TP*TP*TP*CP*GP*G)-3'), PROTEIN (ORPHAN NUCLEAR RECEPTOR NGFI-B), ...
著者Meinke, G, Sigler, P.B.
登録日1999-04-05
公開日1999-05-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献DNA-binding mechanism of the monomeric orphan nuclear receptor NGFI-B.
Nat.Struct.Biol., 6, 1999
6AGX
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The cocrystal structure of FGFR2 bound with compound 14 harboring 5H-pyrrolo[2,3-b]pyrazine scaffold
分子名称: Fibroblast growth factor receptor 2, ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1H-imidazol-1-yl]acetate
著者Xiong, B.
登録日2018-08-15
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The cocrystal structure of FGFR2 bound with compound 14 harboring 5H-pyrrolo[2,3-b]pyrazine scaffold
To be published
4PP7
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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
3SKC
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Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor
分子名称: 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C, Sturgis, H.L.
登録日2011-06-22
公開日2011-08-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships.
Bioorg.Med.Chem.Lett., 21, 2011
4LFD
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BU of 4lfd by Molmil
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
1VCJ
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Influenza B virus neuraminidase complexed with 1-(4-Carboxy-2-(3-pentylamino)phenyl)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one
分子名称: 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID, NEURAMINIDASE
著者Lommer, B.S, Ali, S.M, Bajpai, S.N, Brouillette, W.J, Air, G.M, Luo, M.
登録日2004-03-09
公開日2004-03-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A benzoic acid inhibitor induces a novel conformational change in the active site of Influenza B virus neuraminidase.
Acta Crystallogr.,Sect.D, 60, 2004
4CPO
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Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-08
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014

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