Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 62 results
1BY8
DownloadVisualize
BU of 1by8 by Molmil
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
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.
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
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.
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
5C5Q
DownloadVisualize
BU of 5c5q by Molmil
CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR
Descriptor: (3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ...
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2015-06-21
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5C5P
DownloadVisualize
BU of 5c5p by Molmil
CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR
Descriptor: (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ...
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2015-06-21
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5C5R
DownloadVisualize
BU of 5c5r by Molmil
CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR
Descriptor: (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile, SULFATE ION, Tankyrase-2, ...
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2015-06-21
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.
Acs Med.Chem.Lett., 6, 2015
1GFW
DownloadVisualize
BU of 1gfw by Molmil
THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
Descriptor: 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE, CASPASE-3 (APOPAIN, P10), ...
Authors:Concha, N.O, Janson, C.A.
Deposit date:2000-06-16
Release date:2000-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000
1HLK
DownloadVisualize
BU of 1hlk by Molmil
METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR
Descriptor: 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, BETA-LACTAMASE, TYPE II, ...
Authors:Payne, D.J, Hueso-Rodriguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Chever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Diez, E, Perez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A.
Deposit date:2000-12-01
Release date:2001-11-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a series of tricyclic natural products as potent broad spectrum inhibitors of metallo-beta-lactamases
Antimicrob.Agents Chemother., 46, 2002
1HN9
DownloadVisualize
BU of 1hn9 by Molmil
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III
Descriptor: BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III, PHOSPHATE ION
Authors:Qiu, X, Janson, C.A, Konstantinidis, A.K, Nwagwu, S, Silverman, C, Smith, W.W, Khandekar, S.K, Lonsdale, J, Abdel-Meguid, S.S.
Deposit date:2000-12-07
Release date:2000-12-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of beta-ketoacyl-acyl carrier protein synthase III. A key condensing enzyme in bacterial fatty acid biosynthesis.
J.Biol.Chem., 274, 1999
1I2Z
DownloadVisualize
BU of 1i2z by Molmil
E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654
Descriptor: 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X.
Deposit date:2001-02-12
Release date:2002-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI).
Bioorg.Med.Chem.Lett., 11, 2001
1I30
DownloadVisualize
BU of 1i30 by Molmil
E. Coli Enoyl Reductase +NAD+SB385826
Descriptor: 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X.
Deposit date:2001-02-12
Release date:2002-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents.
Bioorg.Med.Chem.Lett., 11, 2001
4E73
DownloadVisualize
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
4LWU
DownloadVisualize
BU of 4lwu by Molmil
The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252
Descriptor: (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C, Janson, C.A.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
4MQ2
DownloadVisualize
BU of 4mq2 by Molmil
The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L.
Deposit date:2013-09-15
Release date:2013-12-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4MQ1
DownloadVisualize
BU of 4mq1 by Molmil
The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ...
Authors:Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L.
Deposit date:2013-09-15
Release date:2013-12-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
1JIL
DownloadVisualize
BU of 1jil by Molmil
Crystal structure of S. aureus TyrRS in complex with SB284485
Descriptor: [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID, tyrosyl-tRNA synthetase
Authors:Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L.
Deposit date:2001-07-02
Release date:2001-10-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors.
Protein Sci., 10, 2001
1JIJ
DownloadVisualize
BU of 1jij by Molmil
Crystal structure of S. aureus TyrRS in complex with SB-239629
Descriptor: [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID, tyrosyl-tRNA synthetase
Authors:Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L.
Deposit date:2001-07-02
Release date:2001-10-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors.
Protein Sci., 10, 2001
1JIK
DownloadVisualize
BU of 1jik by Molmil
Crystal structure of S. aureus TyrRS in complex with SB-243545
Descriptor: [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER, tyrosyl-tRNA synthetase
Authors:Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L.
Deposit date:2001-07-02
Release date:2001-10-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: [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
Authors:Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L.
Deposit date:2001-07-02
Release date:2001-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors.
Protein Sci., 10, 2001
1KR3
DownloadVisualize
BU of 1kr3 by Molmil
Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050.
Descriptor: 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ...
Authors:Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A.
Deposit date:2002-01-08
Release date:2003-01-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases
ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
1L6J
DownloadVisualize
BU of 1l6j by Molmil
Crystal structure of human matrix metalloproteinase MMP9 (gelatinase B).
Descriptor: CALCIUM ION, Matrix metalloproteinase-9, ZINC ION
Authors: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.
Deposit date:2002-03-11
Release date:2002-07-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the C-terminally truncated human ProMMP9, a gelatin-binding matrix metalloproteinase.
Acta Crystallogr.,Sect.D, 58, 2002
1LXC
DownloadVisualize
BU of 1lxc by Molmil
Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Acrylamide Inhibitor
Descriptor: 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Miller, W.H, Seefeld, M.A, Newlander, K.A, Uzinskas, I.N, Burgess, W.J, Heerding, D.A, Yuan, C.C.K, Head, M.S, Payne, D.J, Rittenhouse, S.F, Moore, T.D, Pearson, S.C, Dewolf, V, Berry, W.E, Keller, P.M, Polizzi, B.J, Qiu, X, Janson, C.A, Huffman, W.F.
Deposit date:2002-06-05
Release date:2002-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
1LX6
DownloadVisualize
BU of 1lx6 by Molmil
Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Benzamide Inhibitor
Descriptor: 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
Authors:Smith, W.W, Qiu, X, Janson, C.A.
Deposit date:2002-06-04
Release date:2002-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
1MFP
DownloadVisualize
BU of 1mfp by Molmil
E. coli Enoyl Reductase in complex with NAD and SB611113
Descriptor: (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Seefeld, M.A, Miller, W.H, Newlander, K.A, Burgess, W.J, DeWolf Jr, W.E, Elkins, P.A, Head, M.S, Jakas, D.R, Janson, C.A, Keller, P.M, Manley, P.J, Moore, T.D, Payne, D.J, Pearson, S, Polizzi, B.J, Qiu, X, Rittenhouse, S.F, Uzinskas, I.N, Wallis, N.G, Huffman, W.F.
Deposit date:2002-08-13
Release date:2003-05-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK
J.MED.CHEM., 46, 2003
1MZS
DownloadVisualize
BU of 1mzs by Molmil
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor
Descriptor: 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-1H-INDOLE-2-CARBOXYLIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase III, PHOSPHATE ION
Authors:Daines, R.A, Pendrak, I, Sham, K, Van Aller, G.S, Konstantinidis, A.K, Lonsdale, J.T, Janson, C.A, Qui, X, Brandt, M, Silverman, C, Head, M.S.
Deposit date:2002-10-09
Release date:2002-11-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:First X-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling
J.Med.Chem., 46, 2003

220472

PDB entries from 2024-05-29

PDB statisticsPDBj update infoContact PDBjnumon