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PDB: 53 件
1NL6
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Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepanone Inhibitor
分子名称: 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE, Cathepsin K
著者Smith, W.W, Janson, C.A, Zhao, B.
登録日2003-01-06
公開日2003-01-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Azepanone-based inhibitors of human and rat cathepsin K
J.Med.Chem., 44, 2001
1NLJ
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CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT AZEPANONE INHIBITOR
分子名称: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE, CATHEPSIN K
著者Smith, W.W, Janson, C.A, Zhao, B.
登録日2003-01-07
公開日2003-01-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Azepanone-Based Inhibitors of Human and Rat Cathepsin K
J.Med.Chem., 44, 2001
1NI2
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Structure of the active FERM domain of Ezrin
分子名称: Ezrin
著者Smith, W.J, Nassar, N, Bretscher, A.P, Cerione, R.A, Karplus, P.A.
登録日2002-12-20
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Active N-terminal Domain of Ezrin. CONFORMATIONAL AND MOBILITY CHANGES IDENTIFY KEYSTONE INTERACTIONS.
J.Biol.Chem., 278, 2003
1OFV
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FLAVODOXIN FROM ANACYSTIS NIDULANS: REFINEMENT OF TWO FORMS OF THE OXIDIZED PROTEIN
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Smith, W.W, Pattridge, K.A, Luschinsky, C.L, Ludwig, M.L.
登録日1992-06-22
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Refined structures of oxidized flavodoxin from Anacystis nidulans.
J.Mol.Biol., 294, 1999
1LX6
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Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Benzamide Inhibitor
分子名称: 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Smith, W.W, Qiu, X, Janson, C.A.
登録日2002-06-04
公開日2002-09-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
1CZN
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REFINED STRUCTURES OF OXIDIZED FLAVODOXIN FROM ANACYSTIS NIDULANS
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Smith, W.W, Pattridge, K.A, Luschinsky, C.L, Ludwig, M.L.
登録日1999-09-03
公開日1999-12-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Refined structures of oxidized flavodoxin from Anacystis nidulans.
J.Mol.Biol., 294, 1999
3HMM
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Structure of Alk5 + GW855857
分子名称: 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine, TGF-beta receptor type-1
著者Smith, W, Janson, C.
登録日2009-05-29
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3GXL
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ALK-5 kinase complex with GW857175
分子名称: N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine, TGF-beta receptor type-1
著者Smith, W, Janson, C.
登録日2009-04-02
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
1IGX
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Crystal Structure of Eicosapentanoic Acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,8,11,14,17-EICOSAPENTAENOIC ACID, ...
著者Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M.
登録日2001-04-18
公開日2001-12-12
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1.
J.Biol.Chem., 276, 2001
1IGZ
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Crystal Structure of Linoleic acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
著者Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M.
登録日2001-04-18
公開日2001-12-12
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1.
J.Biol.Chem., 276, 2001
5WBE
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COX-1:MOFEZOLAC COMPLEX STRUCTURE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mofezolac, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A.
登録日2017-06-28
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6).
Eur J Med Chem, 138, 2017
6ROW
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Haemonchus galactose containing glycoprotein complex
分子名称: Cysteine Protease, Parasite pepsinogen, Putative zinc metallopeptidase
著者Scarff, C.A, Thompson, R.F, Newlands, G.F.J, Jamson, H, Kennaway, C, da Silva, V.J, Rabelo, E.M, Song, C.F, Trinick, J, Smith, W.D, Muench, S.P.
登録日2019-05-13
公開日2020-03-25
最終更新日2020-04-22
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structure of the protective nematode protease complex H-gal-GP and its conservation across roundworm parasites.
Plos Pathog., 16, 2020
1VZV
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STRUCTURE OF VARICELLA-ZOSTER VIRUS PROTEASE
分子名称: VARICELLA-ZOSTER VIRUS PROTEASE
著者Qiu, X, Jason, C.A, Culp, J.S, Richardson, S.B, Debouck, C, Smith, W.W, Abdel-Meguid, S.S.
登録日1997-02-10
公開日1998-09-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of varicella-zoster virus protease.
Proc.Natl.Acad.Sci.USA, 94, 1997
2ADU
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Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-triazole Inhibitor
分子名称: 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE, COBALT (II) ION, Methionine aminopeptidase 2
著者Kallander, L.S, Lu, Q, Chen, W, Tomaszek, T, Yang, G, Tew, D, Meek, T.D, Hofmann, G.A, Schulz-Pritchard, C.K, Smith, W.W, Janson, C.A, Ryan, M.D, Zhang, G.F, Johanson, K.O, Kirkpatrick, R.B, Ho, T.F, Fisher, P.W, Mattern, M.R, Johnson, R.K, Hansbury, M.J, Winkler, J.D, Ward, K.W, Veber, D.F, Thompson, S.K.
登録日2005-07-20
公開日2005-09-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献4-Aryl-1,2,3-triazole: A Novel Template for a Reversible Methionine Aminopeptidase 2 Inhibitor, Optimized To Inhibit Angiogenesis in Vivo
J.Med.Chem., 48, 2005
1JIK
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Crystal structure of S. aureus TyrRS in complex with SB-243545
分子名称: [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER, tyrosyl-tRNA synthetase
著者Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L.
登録日2001-07-02
公開日2001-10-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors.
Protein Sci., 10, 2001
1JII
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Crystal structure of S. aureus TyrRS in complex with SB-219383
分子名称: [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID, tyrosyl-tRNA synthetase
著者Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L.
登録日2001-07-02
公開日2001-10-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors.
Protein Sci., 10, 2001
1L6J
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Crystal structure of human matrix metalloproteinase MMP9 (gelatinase B).
分子名称: CALCIUM ION, Matrix metalloproteinase-9, ZINC ION
著者Elkins, P.A, Ho, Y.S, Smith, W.W, Janson, C.A, D'Alessio, K.J, McQueney, M.S, Cummings, M.D, Romanic, A.M.
登録日2002-03-11
公開日2002-07-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the C-terminally truncated human ProMMP9, a gelatin-binding matrix metalloproteinase.
Acta Crystallogr.,Sect.D, 58, 2002
1LAY
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CRYSTAL STRUCTURE OF CYTOMEGALOVIRUS PROTEASE
分子名称: CYTOMEGALOVIRUS PROTEASE
著者Qiu, X, Culp, J.S, Dilella, A.G, Hellmig, B, Hoog, S.S, Jason, C.A, Smith, W.W, Abdel-Meguid, S.S.
登録日1996-07-16
公開日1997-09-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unique fold and active site in cytomegalovirus protease.
Nature, 383, 1996
1MMP
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MATRILYSIN COMPLEXED WITH CARBOXYLATE INHIBITOR
分子名称: 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID, CALCIUM ION, GELATINASE A, ...
著者Browner, M.F, Smith, W.W, Castelhano, A.L.
登録日1995-03-22
公開日1996-04-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Matrilysin-inhibitor complexes: common themes among metalloproteases.
Biochemistry, 34, 1995
1JIJ
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Crystal structure of S. aureus TyrRS in complex with SB-239629
分子名称: [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID, tyrosyl-tRNA synthetase
著者Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L.
登録日2001-07-02
公開日2001-10-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors.
Protein Sci., 10, 2001
1JIL
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Crystal structure of S. aureus TyrRS in complex with SB284485
分子名称: [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID, tyrosyl-tRNA synthetase
著者Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L.
登録日2001-07-02
公開日2001-10-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors.
Protein Sci., 10, 2001
1MMR
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MATRILYSIN COMPLEXED WITH SULFODIIMINE INHIBITOR
分子名称: 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-12(19),13(18),15,17-TETRAENE-10-CARBAMOYL)PENTA-METHYLSULFONEDIIMINE, CALCIUM ION, MATRILYSIN, ...
著者Browner, M.F, Smith, W.W, Castelhano, A.L.
登録日1995-03-22
公開日1996-04-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Matrilysin-inhibitor complexes: common themes among metalloproteases.
Biochemistry, 34, 1995
1MMQ
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MATRILYSIN COMPLEXED WITH HYDROXAMATE INHIBITOR
分子名称: CALCIUM ION, MATRILYSIN, N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE, ...
著者Browner, M.F, Smith, W.W, Castelhano, A.L.
登録日1995-03-22
公開日1996-04-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Matrilysin-inhibitor complexes: common themes among metalloproteases.
Biochemistry, 34, 1995
1U67
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Crystal Structure of Arachidonic Acid Bound to a Mutant of Prostagladin H Synthase-1 that Forms Predominantly 11-HPETE.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, PROTOPORPHYRIN IX CONTAINING CO, ...
著者Harman, C.A, Rieke, C.J, Garavito, R.M, Smith, W.L.
登録日2004-07-29
公開日2004-09-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of arachidonic Acid bound to a mutant of prostaglandin endoperoxide h synthase-1 that forms predominantly 11-hydroperoxyeicosatetraenoic Acid.
J.Biol.Chem., 279, 2004
1BGO
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR
分子名称: 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE, CATHEPSIN K
著者Desjarlais, R.L, Yamashita, D.S, Oh, H.-J, Bondinell, W.E, Uzinskas, I.N, Erhard, K.F, Allen, A.C, Haltiwanger, R.C, Zhao, B, Smith, W.W, Abdel-Meguid, S.S, D'Alessio, K, Janson, C.A, Mcqueney, M.S, Tomaszek, T.A, Levy, M.A, Veber, D.F.
登録日1998-05-29
公開日1999-06-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Use of X-Ray Co-Crystal Structures and Molecular Modeling to Design Potent and Selective Non-Peptide Inhibitors of Cathepsin K
J.Am.Chem.Soc., 120, 1998

 

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