Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
1NQC
DownloadVisualize
BU of 1nqc by Molmil
Crystal structures of Cathepsin S inhibitor complexes
Descriptor: Cathepsin S, N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
Authors:Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Menard, R, Cygler, M, Rath, V.L.
Deposit date:2003-01-21
Release date:2003-04-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity determinants of human cathepsin s revealed by crystal structures of complexes.
Biochemistry, 42, 2003
1NPZ
DownloadVisualize
BU of 1npz by Molmil
Crystal structures of Cathepsin S inhibitor complexes
Descriptor: Cathepsin S, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide
Authors:Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Seddon, A.P, Menard, R, Cygler, M, Rath, V.L.
Deposit date:2003-01-20
Release date:2003-04-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Specificity determinants of human cathepsin s revealed by crystal structures of complexes.
Biochemistry, 42, 2003
1PL6
DownloadVisualize
BU of 1pl6 by Molmil
Human SDH/NADH/inhibitor complex
Descriptor: 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sorbitol dehydrogenase, ...
Authors:Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L.
Deposit date:2003-06-07
Release date:2004-02-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
1PL7
DownloadVisualize
BU of 1pl7 by Molmil
Human Sorbitol Dehydrogenase (apo)
Descriptor: Sorbitol dehydrogenase, ZINC ION
Authors:Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L.
Deposit date:2003-06-07
Release date:2004-02-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
1PL8
DownloadVisualize
BU of 1pl8 by Molmil
human SDH/NAD+ complex
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, human sorbitol dehydrogenase
Authors:Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L.
Deposit date:2003-06-07
Release date:2004-02-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
3G49
DownloadVisualize
BU of 3g49 by Molmil
N-(Pyridin-2-yl) Arylsulfonamide Inhibitors of 11b-Hydroxysteroid Dehydrogenase Type 1: Discovery of PF-915275
Descriptor: 11-beta-hydroxysteroid dehydrogenase 1, 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pauly, T.A.
Deposit date:2009-02-03
Release date:2009-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275.
Bioorg.Med.Chem.Lett., 19, 2009
3K2P
DownloadVisualize
BU of 3k2p by Molmil
HIV-1 Reverse Transcriptase Isolated RnaseH Domain with the Inhibitor beta-thujaplicinol Bound at the Active Site
Descriptor: 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, Reverse Transcriptase
Authors:Pauly, T.A, Himmel, D.M, Maegley, K, Arnold, E.
Deposit date:2009-09-30
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site.
Structure, 17, 2009
1EZF
DownloadVisualize
BU of 1ezf by Molmil
CRYSTAL STRUCTURE OF HUMAN SQUALENE SYNTHASE
Descriptor: FARNESYL-DIPHOSPHATE FARNESYLTRANSFERASE, N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID
Authors:Pandit, J, Danley, D.E, Schulte, G.K, Mazzalupo, S.M, Pauly, T.A, Hayward, C.M, Hamanaka, E.S, Thompson, J.F, Harwood, H.J.
Deposit date:2000-05-10
Release date:2000-10-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human squalene synthase. A key enzyme in cholesterol biosynthesis.
J.Biol.Chem., 275, 2000
3IG1
DownloadVisualize
BU of 3ig1 by Molmil
HIV-1 Reverse Transcriptase with the Inhibitor beta-Thujaplicinol Bound at the RNase H Active Site
Descriptor: 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, HIV-1 Reverse Transcriptase p51 subunit, HIV-1 Reverse Transcriptase p66 subunit, ...
Authors:Himmel, D.M, Maegley, K.A, Pauly, T.A, Arnold, E.
Deposit date:2009-07-27
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site.
Structure, 17, 2009
1L7X
DownloadVisualize
BU of 1l7x by Molmil
Human liver glycogen phosphorylase b complexed with caffeine, N-acetyl-beta-D-glucopyranosylamine, and CP-403,700
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CAFFEINE, Glycogen phosphorylase, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-18
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
1L5R
DownloadVisualize
BU of 1l5r by Molmil
Human liver glycogen phosphorylase a complexed with riboflavin, N-Acetyl-beta-D-Glucopyranosylamine and CP-403,700
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-07
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
1L5S
DownloadVisualize
BU of 1l5s by Molmil
Human liver glycogen phosphorylase complexed with uric acid, N-Acetyl-beta-D-glucopyranosylamine, and CP-403,700
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Glycogen phosphorylase, liver form, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-07
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
1L5Q
DownloadVisualize
BU of 1l5q by Molmil
Human liver glycogen phosphorylase a complexed with caffeine, N-Acetyl-beta-D-glucopyranosylamine, and CP-403700
Descriptor: CAFFEINE, Glycogen phosphorylase, liver form, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-07
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
3F7U
DownloadVisualize
BU of 3f7u by Molmil
Crystal Structure of soluble domain of CA4 in complex with small molecule.
Descriptor: Carbonic anhydrase 4, N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide, ZINC ION
Authors:Pauly, T.A, Ferre, R.A.A, Greasley, S.E, Paz, R.
Deposit date:2008-11-10
Release date:2009-09-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18, 2010
3LZ6
DownloadVisualize
BU of 3lz6 by Molmil
Guinea Pig 11beta hydroxysteroid dehydrogenase with PF-877423
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-adamantan-2-yl-1-ethyl-D-prolinamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pauly, T.A.
Deposit date:2010-03-01
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The development and SAR of pyrrolidine carboxamide 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3F7B
DownloadVisualize
BU of 3f7b by Molmil
Crystal Structure of soluble domain of CA4 in complex with small molecule.
Descriptor: Carbonic anhydrase 4, N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide, ZINC ION
Authors:Greasley, S.E, Ferre, R.A.A, Pauly, T.A, Paz, R.
Deposit date:2008-11-07
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18, 2010
4QAG
DownloadVisualize
BU of 4qag by Molmil
Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase
Descriptor: (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H
Authors:Himmel, D.M, Ho, W.C, Arnold, E.
Deposit date:2014-05-04
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.712 Å)
Cite:Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs.
J.Mol.Biol., 426, 2014
2C0Y
DownloadVisualize
BU of 2c0y by Molmil
THE CRYSTAL STRUCTURE OF A CYS25ALA MUTANT OF HUMAN PROCATHEPSIN S
Descriptor: PROCATHEPSIN S
Authors:Kaulmann, G, Palm, G.J, Schilling, K, Hilgenfeld, R, Wiederanders, B.
Deposit date:2005-09-08
Release date:2006-11-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of a Cys25 -> Ala Mutant of Human Procathepsin S Elucidates Enzyme-Prosequence Interactions.
Protein Sci., 15, 2006
3QLH
DownloadVisualize
BU of 3qlh by Molmil
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
Descriptor: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
Deposit date:2011-02-02
Release date:2011-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon