Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
1I9A
DownloadVisualize
BU of 1i9a by Molmil
STRUCTURAL STUDIES OF CHOLESTEROL BIOSYNTHESIS: MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE AND ISOPENTENYL DIPHOSPHATE ISOMERASE
Descriptor: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE, MANGANESE (II) ION
Authors:Bonanno, J.B, Edo, C, Eswar, N, Pieper, U, Romanowski, M.J, Ilyin, V, Gerchman, S.E, Kycia, H, Studier, F.W, Sali, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-03-18
Release date:2001-03-28
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural genomics of enzymes involved in sterol/isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
3DBE
DownloadVisualize
BU of 3dbe by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 557
Descriptor: 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide, Polo-like kinase 1
Authors:Elling, R.A, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBD
DownloadVisualize
BU of 3dbd by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 094
Descriptor: 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide, Polo-like kinase 1
Authors:Elling, R.A, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBC
DownloadVisualize
BU of 3dbc by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 257
Descriptor: 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide, Polo-like kinase 1
Authors:Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBF
DownloadVisualize
BU of 3dbf by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562
Descriptor: 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide, Polo-like kinase
Authors:Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2ZJJ
DownloadVisualize
BU of 2zjj by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide
Descriptor: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide, Beta-secretase 1
Authors:Randal, M, Lam, M.B, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJL
DownloadVisualize
BU of 2zjl by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
Descriptor: Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
Authors:Randal, M, Lam, M.B, Lu, W, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJM
DownloadVisualize
BU of 2zjm by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide
Descriptor: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
Authors:Allison, T.J, Pham, P, Romanowski, M.J, Munshi, S.K.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJI
DownloadVisualize
BU of 2zji by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
Descriptor: Beta-secretase 1, N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
Authors:Randal, M, Lam, M.B, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJK
DownloadVisualize
BU of 2zjk by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
Descriptor: (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide, Beta-secretase 1
Authors:Randal, M, Lam, M.B, Lu, W, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJN
DownloadVisualize
BU of 2zjn by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
Descriptor: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
Authors:Randal, M, Lam, M.B, Fahr, B.T, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJH
DownloadVisualize
BU of 2zjh by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
Descriptor: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
Authors:Randal, M, Lam, M.B, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2FQQ
DownloadVisualize
BU of 2fqq by Molmil
Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
Descriptor: 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE, Caspase-1
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-01-18
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H4Y
DownloadVisualize
BU of 2h4y by Molmil
Crystal structure of human caspase-1 (Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2H51
DownloadVisualize
BU of 2h51 by Molmil
Crystal structure of human caspase-1 (Glu390->Asp and Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2HBQ
DownloadVisualize
BU of 2hbq by Molmil
Crystal structure of wildtype human caspase-1 in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H48
DownloadVisualize
BU of 2h48 by Molmil
Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase 1, isoform gamma, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H54
DownloadVisualize
BU of 2h54 by Molmil
Crystal structure of human caspase-1 (Thr388->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2H4W
DownloadVisualize
BU of 2h4w by Molmil
Crystal structure of human caspase-1 (Glu390->Asp) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2HBR
DownloadVisualize
BU of 2hbr by Molmil
Crystal structure of human caspase-1 (Arg286->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2HBZ
DownloadVisualize
BU of 2hbz by Molmil
Crystal structure of human caspase-1 (Arg286->Ala, Glu390->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, PHQ-VAD-fluoromethylketone inhibitor
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2HBY
DownloadVisualize
BU of 2hby by Molmil
Crystal structure of human caspase-1 (Glu390->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
3D5X
DownloadVisualize
BU of 3d5x by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with wortmannin.
Descriptor: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Polo-like kinase 1
Authors:Elling, R.A, Fucini, R.V, Romanowski, M.J.
Deposit date:2008-05-17
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands.
Acta Crystallogr.,Sect.D, 64, 2008
3D14
DownloadVisualize
BU of 3d14 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
Descriptor: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
Authors:Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J.
Deposit date:2008-05-04
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
3D5U
DownloadVisualize
BU of 3d5u by Molmil
Crystal structure of a wildtype Polo-like kinase 1 (Plk1) catalytic domain.
Descriptor: Polo-like kinase 1
Authors:Elling, R.A, Fucini, R.V, Romanowski, M.J.
Deposit date:2008-05-17
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands.
Acta Crystallogr.,Sect.D, 64, 2008

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon