Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4GV1
DownloadVisualize
BU of 4gv1 by Molmil
PKB alpha in complex with AZD5363
Descriptor: 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase
Authors:Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L.
Deposit date:2012-08-30
Release date:2013-02-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
7UPJ
DownloadVisualize
BU of 7upj by Molmil
HIV-1 PROTEASE/U101935 COMPLEX
Descriptor: HIV-1 PROTEASE, N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
Authors:Watenpaugh, K.D, Janakiraman, M.N.
Deposit date:1996-12-05
Release date:1997-04-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
1HPO
DownloadVisualize
BU of 1hpo by Molmil
HIV-1 PROTEASE TRIPLE MUTANT/U103265 COMPLEX
Descriptor: 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE, HIV-1 PROTEASE
Authors:Watenpaugh, K.D, Janakiraman, M.N.
Deposit date:1996-12-10
Release date:1997-04-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
6PL4
DownloadVisualize
BU of 6pl4 by Molmil
TRK-A IN COMPLEX WITH LIGAND 1
Descriptor: High affinity nerve growth factor receptor, N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-06-30
Release date:2020-07-01
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:In Pursuit of an Allosteric Human Tropomyosin Kinase A (hTrkA) Inhibitor for Chronic Pain
Acs Med.Chem.Lett., 2021
3RJM
DownloadVisualize
BU of 3rjm by Molmil
CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c
Descriptor: Caspase-2, Peptide inhibitor (ACE)VDV(3PX)D-CHO
Authors:Abendroth, J, Lorimer, D, Stewart, L, Maillard, M, Kiselyov, A.S.
Deposit date:2011-04-15
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Exploiting differences in caspase-2 and -3 S(2) subsites for selectivity: Structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors.
Bioorg.Med.Chem., 19, 2011
6NSP
DownloadVisualize
BU of 6nsp by Molmil
TRK-A IN COMPLEX WITH LIGAND 9
Descriptor: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6NSS
DownloadVisualize
BU of 6nss by Molmil
TRK-A IN COMPLEX WITH LIGAND 6
Descriptor: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6NPT
DownloadVisualize
BU of 6npt by Molmil
TRK-A IN COMPLEX WITH LIGAND 1
Descriptor: 4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, High affinity nerve growth factor receptor
Authors:Subramanian, G.
Deposit date:2019-01-18
Release date:2019-05-22
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
1D4Y
DownloadVisualize
BU of 1d4y by Molmil
HIV-1 PROTEASE TRIPLE MUTANT/TIPRANAVIR COMPLEX
Descriptor: N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, PROTEIN (HIV-1 PROTEASE)
Authors:Watenpaugh, K.D, Janakiraman, M.N.
Deposit date:1999-10-06
Release date:1999-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors.
J.Med.Chem., 39, 1996
1D4S
DownloadVisualize
BU of 1d4s by Molmil
HIV-1 PROTEASE V82F/I84V DOUBLE MUTANT/TIPRANAVIR COMPLEX
Descriptor: N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, PROTEIN (HIV-1 PROTEASE)
Authors:Watenpaugh, K.D, Janakiraman, M.N.
Deposit date:1999-10-05
Release date:1999-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors.
J.Med.Chem., 39, 1996
5UPJ
DownloadVisualize
BU of 5upj by Molmil
HIV-2 PROTEASE/U99283 COMPLEX
Descriptor: 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE, HIV-2 PROTEASE
Authors:Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C.
Deposit date:1996-12-10
Release date:1997-04-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors.
J.Med.Chem., 38, 1995
6UPJ
DownloadVisualize
BU of 6upj by Molmil
HIV-2 PROTEASE/U99294 COMPLEX
Descriptor: 6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE, HIV-2 PROTEASE
Authors:Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C.
Deposit date:1996-12-10
Release date:1997-04-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors.
J.Med.Chem., 38, 1995

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon