Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 53 件
1JIJ
DownloadVisualize
BU of 1jij by Molmil
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
2XID
DownloadVisualize
BU of 2xid by Molmil
Pilus-presented adhesin, Spy0125 (Cpa), P212121 form (DLS)
分子名称: ANCILLARY PROTEIN 1
著者Pointon, J.A, Smith, W.D, Saalbach, G, Crow, A, Kehoe, M.A, Banfield, M.J.
登録日2010-06-28
公開日2010-08-04
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Highly Unusual Thioester Bond in a Pilus Adhesin Required for Efficient Host Cell Interaction
J.Biol.Chem., 285, 2010
1JIL
DownloadVisualize
BU of 1jil by Molmil
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
1LAY
DownloadVisualize
BU of 1lay by Molmil
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
1L6J
DownloadVisualize
BU of 1l6j by Molmil
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
1JIK
DownloadVisualize
BU of 1jik by Molmil
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
DownloadVisualize
BU of 1jii by Molmil
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
1U67
DownloadVisualize
BU of 1u67 by Molmil
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
1VJY
DownloadVisualize
BU of 1vjy by Molmil
Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor
分子名称: 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE, TGF-beta receptor type I
著者Gellibert, F, Woolven, J, Fouchet, M.-H, Mathews, N, Goodland, H, Lovegrove, V, Laroze, A, Nguyen, V.-L, Sautet, S, Wang, R, Janson, C, Smith, W, Krysa, G, Boullay, V, de Gouville, A.-C, Huet, S, Hartley, D.
登録日2004-04-07
公開日2004-08-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of 1,5-Naphthyridine Derivatives as a Novel Series of Potent and Selective TGF-beta Type I Receptor Inhibitors.
J.Med.Chem., 47, 2004
2XI9
DownloadVisualize
BU of 2xi9 by Molmil
Pilus-presented adhesin, Spy0125 (Cpa), P1 form
分子名称: ANCILLARY PROTEIN 1
著者Pointon, J.A, Smith, W.D, Saalbach, G, Crow, A, Kehoe, M.A, Banfield, M.J.
登録日2010-06-28
公開日2010-08-04
最終更新日2019-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Highly Unusual Thioester Bond in a Pilus Adhesin is Required for Efficient Host Cell Interaction
J.Biol.Chem., 285, 2010
1BGO
DownloadVisualize
BU of 1bgo by Molmil
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
1BXQ
DownloadVisualize
BU of 1bxq by Molmil
ACID PROTEINASE (PENICILLOPEPSIN) COMPLEX WITH PHOSPHONATE INHIBITOR.
分子名称: 2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER, ACETATE ION, GLYCEROL, ...
著者Parrish, J.C, Khan, A.R, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G.
登録日1998-10-07
公開日1998-10-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
1BXO
DownloadVisualize
BU of 1bxo by Molmil
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE
分子名称: GLYCEROL, METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE, PROTEIN (PENICILLOPEPSIN), ...
著者Khan, A.R, Parrish, J.C, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G.
登録日1998-10-07
公開日1998-10-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
5WBE
DownloadVisualize
BU of 5wbe by Molmil
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
1AYU
DownloadVisualize
BU of 1ayu by Molmil
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR
分子名称: 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-11-10
公開日1998-11-25
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1AU4
DownloadVisualize
BU of 1au4 by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR
分子名称: 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N, CATHEPSIN K
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-09-10
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K.
J.Med.Chem., 41, 1998
1AU3
DownloadVisualize
BU of 1au3 by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR
分子名称: 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N, CATHEPSIN K
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-09-10
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K.
J.Med.Chem., 41, 1998
1AYV
DownloadVisualize
BU of 1ayv by Molmil
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT THIAZOLHYDRAZIDE INHIBITOR
分子名称: CATHEPSIN K, N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-11-10
公開日1998-11-25
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1AYW
DownloadVisualize
BU of 1ayw by Molmil
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR
分子名称: 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE, CATHEPSIN K
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-11-10
公開日1998-11-25
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
5U6X
DownloadVisualize
BU of 5u6x by Molmil
COX-1:P6 COMPLEX STRUCTURE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A.
登録日2016-12-09
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.93 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
1AT3
DownloadVisualize
BU of 1at3 by Molmil
HERPES SIMPLEX VIRUS TYPE II PROTEASE
分子名称: DIISOPROPYL PHOSPHONATE, HERPES SIMPLEX VIRUS TYPE II PROTEASE
著者Hoog, S, Smith, W.W, Qiu, X, Abdel-Meguid, S.S.
登録日1997-08-16
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Active site cavity of herpesvirus proteases revealed by the crystal structure of herpes simplex virus protease/inhibitor complex.
Biochemistry, 36, 1997
1ATK
DownloadVisualize
BU of 1atk by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH THE COVALENT INHIBITOR E-64
分子名称: CATHEPSIN K, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1996-12-19
公開日1998-02-04
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human osteoclast cathepsin K complex with E-64.
Nat.Struct.Biol., 4, 1997
1AU0
DownloadVisualize
BU of 1au0 by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC DIACYLAMINOMETHYL KETONE INHIBITOR
分子名称: 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE, CATHEPSIN K
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-09-09
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Design of Potent and Selective Cathepsin K Inhibitors
J.Am.Chem.Soc., 119, 1997
1BQI
DownloadVisualize
BU of 1bqi by Molmil
USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES.
分子名称: CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE, PAPAIN
著者Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
登録日1998-08-16
公開日1999-08-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites.
J.Med.Chem., 41, 1998
1BP4
DownloadVisualize
BU of 1bp4 by Molmil
USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES.
分子名称: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN
著者Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
登録日1998-08-12
公開日1999-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites.
J.Med.Chem., 41, 1998

221051

件を2024-06-12に公開中

PDB statisticsPDBj update infoContact PDBjnumon