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1QE0
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CRYSTAL STRUCTURE OF APO S. AUREUS HISTIDYL-TRNA SYNTHETASE
Descriptor: Histidine--tRNA ligase
Authors:Qiu, X, Janson, C.A, Blackburn, M.N, Chohan, I.K, Hibbs, M, Abdel-Meguid, S.S.
Deposit date:1999-07-12
Release date:2000-07-12
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cooperative structural dynamics and a novel fidelity mechanism in histidyl-tRNA synthetases.
Biochemistry, 38, 1999
1BGO
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BU of 1bgo by Molmil
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR
Descriptor: 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE, CATHEPSIN K
Authors: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.
Deposit date:1998-05-29
Release date:1999-06-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
1AYW
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR
Descriptor: 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-11-10
Release date:1998-11-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1ATK
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CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH THE COVALENT INHIBITOR E-64
Descriptor: CATHEPSIN K, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1996-12-19
Release date:1998-02-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human osteoclast cathepsin K complex with E-64.
Nat.Struct.Biol., 4, 1997
1AU0
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BU of 1au0 by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC DIACYLAMINOMETHYL KETONE INHIBITOR
Descriptor: 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-09-09
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Design of Potent and Selective Cathepsin K Inhibitors
J.Am.Chem.Soc., 119, 1997
1AU2
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BU of 1au2 by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PROPANONE INHIBITOR
Descriptor: 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-09-10
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Design of Potent and Selective Cathepsin K Inhibitors
J.Am.Chem.Soc., 119, 1997
1BY8
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THE CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN K
Descriptor: PROTEIN (PROCATHEPSIN K)
Authors: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.
Deposit date:1998-10-27
Release date:1999-10-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of human procathepsin K.
Biochemistry, 38, 1999
1AYV
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT THIAZOLHYDRAZIDE INHIBITOR
Descriptor: CATHEPSIN K, N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-11-10
Release date:1998-11-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1AU3
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CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR
Descriptor: 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-09-10
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K.
J.Med.Chem., 41, 1998
1AYU
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR
Descriptor: 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-11-10
Release date:1998-11-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1AU4
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BU of 1au4 by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR
Descriptor: 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-09-10
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K.
J.Med.Chem., 41, 1998
1BQI
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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.
Descriptor: CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE, PAPAIN
Authors: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.
Deposit date:1998-08-16
Release date:1999-08-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
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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.
Descriptor: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN
Authors: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.
Deposit date:1998-08-12
Release date:1999-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
1CDE
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BU of 1cde by Molmil
STRUCTURES OF APO AND COMPLEXED ESCHERICHIA COLI GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
Descriptor: 5-DEAZAFOLIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, PHOSPHORIBOSYL-GLYCINAMIDE FORMYLTRANSFERASE
Authors:Almassy, R.J, Janson, C.A, Kan, C.-C, Hostomska, Z.
Deposit date:1992-05-15
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of apo and complexed Escherichia coli glycinamide ribonucleotide transformylase.
Proc.Natl.Acad.Sci.USA, 89, 1992
1CDD
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BU of 1cdd by Molmil
STRUCTURES OF APO AND COMPLEXED ESCHERICHIA COLI GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
Descriptor: PHOSPHATE ION, PHOSPHORIBOSYL-GLYCINAMIDE FORMYLTRANSFERASE
Authors:Almassy, R.J, Janson, C.A, Kan, C.-C, Hostomska, Z.
Deposit date:1992-05-15
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of apo and complexed Escherichia coli glycinamide ribonucleotide transformylase.
Proc.Natl.Acad.Sci.USA, 89, 1992
4E73
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BU of 4e73 by Molmil
Crystal structure of JNK1beta-JIP in complex with an azaquinolone inhbitor
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, methyl 3-(4-{[(1R,2S,3S,5S,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2012-03-16
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Identification of an Adamantyl Azaquinolone JNK Selective Inhibitor.
ACS Med Chem Lett, 3, 2012
1T8K
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BU of 1t8k by Molmil
Crystal Structure of apo acyl carrier protein from E. coli
Descriptor: Acyl carrier protein, IMIDAZOLE, ZINC ION
Authors:Qiu, X, Janson, C.A.
Deposit date:2004-05-13
Release date:2004-09-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure of apo acyl carrier protein and a proposal to engineer protein crystallization through metal ions.
Acta Crystallogr.,Sect.D, 60, 2004
2OAZ
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Human Methionine Aminopeptidase-2 Complexed with SB-587094
Descriptor: COBALT (II) ION, N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLMETHYL)THIO]-1H-1,2,4-TRIAZOL-5-AMINE, human Methionine Amino Peptidase 2
Authors:Marino Jr, J.P, Fisher, P.W, Hofmann, G.A, Kirkpatrick, R, Janson, C.A, Johnson, R.K, Ma, C, Mattern, M, Meek, T.D, Ryan, D, Schulz, C, Smith, W.W, Tew, D.G, Tomazek Jr, T.A, Veber, D.F, Xiong, W.C, Yamamoto, Y, Yamashita, K, Yang, G, Thompson, S.K.
Deposit date:2006-12-18
Release date:2007-06-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore.
J.Med.Chem., 50, 2007
1DDK
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BU of 1ddk by Molmil
CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA
Descriptor: ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, ZINC ION
Authors:Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S.
Deposit date:1999-11-10
Release date:2000-11-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
1DD6
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BU of 1dd6 by Molmil
IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR
Descriptor: (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, SULFATE ION, ...
Authors:Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S.
Deposit date:1999-11-08
Release date:2000-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
1HNK
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BU of 1hnk by Molmil
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III, APO TETRAGONAL FORM
Descriptor: BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III
Authors:Qiu, X, Janson, C.A, Smith, W.W, Head, M, Lonsdale, J, Konstantinidis, A.K.
Deposit date:2000-12-07
Release date:2000-12-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Refined structures of beta-ketoacyl-acyl carrier protein synthase III.
J.Mol.Biol., 307, 2001
1HNJ
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CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III + MALONYL-COA
Descriptor: BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III, MALONYL-COENZYME A, PHOSPHATE ION
Authors:Qiu, X, Janson, C.A, Smith, W.W, Head, M, Lonsdale, J, Konstantinidis, A.K.
Deposit date:2000-12-07
Release date:2000-12-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Refined structures of beta-ketoacyl-acyl carrier protein synthase III.
J.Mol.Biol., 307, 2001
1HNH
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CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III + DEGRADED FORM OF ACETYL-COA
Descriptor: BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III, COENZYME A
Authors:Qiu, X, Janson, C.A, Smith, W.W, Head, M, Lonsdale, J, Konstantinidis, A.K.
Deposit date:2000-12-07
Release date:2000-12-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Refined structures of beta-ketoacyl-acyl carrier protein synthase III.
J.Mol.Biol., 307, 2001
1HND
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CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III-COA COMPLEX
Descriptor: BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III, COENZYME A
Authors:Qiu, X, Janson, C.A, Smith, W.W, Head, M, Lonsdale, J, Konstantinidis, A.K.
Deposit date:2000-12-07
Release date:2000-12-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Refined structures of beta-ketoacyl-acyl carrier protein synthase III.
J.Mol.Biol., 307, 2001
1ZOW
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Crystal Structure of S. aureus FabH, beta-ketoacyl carrier protein synthase III
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase III
Authors:Qiu, X, Choudhry, A.E, Janson, C.A, Grooms, M, Daines, R.A, Lonsdale, J.T, Khandekar, S.S.
Deposit date:2005-05-15
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and substrate specificity of the beta-ketoacyl-acyl carrier protein synthase III (FabH) from Staphylococcus aureus.
Protein Sci., 14, 2005

 

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