Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 142 results

6RCW
DownloadVisualize
BU of 6rcw by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2019-04-11
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
6HWO
DownloadVisualize
BU of 6hwo by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335
Descriptor: 1,2-ETHANEDIOL, 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-10-12
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
417D
DownloadVisualize
BU of 417d by Molmil
A THYMINE-LIKE BASE ANALOGUE FORMS WOBBLE PAIRS WITH ADENINE
Descriptor: DNA (5'-D(*CP*AP*CP*GP*(C46)P*G)-3')
Authors:Lin, P.K.T, Schuerman, M.H, Moore, G.S, Van Meervelt, L, Loakes, D, Brown, D.M, Moore, M.H.
Deposit date:1998-07-15
Release date:1998-09-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A thymine-like base analogue forms wobble pairs with adenine in a Z-DNA duplex.
J.Mol.Biol., 282, 1998
1POS
DownloadVisualize
BU of 1pos by Molmil
CRYSTAL STRUCTURE OF A NOVEL DISULFIDE-LINKED "TREFOIL" MOTIF FOUND IN A LARGE FAMILY OF PUTATIVE GROWTH FACTORS
Descriptor: PORCINE PANCREATIC SPASMOLYTIC POLYPEPTIDE
Authors:De, A, Brown, D, Gorman, M, Carr, M, Sanderson, M.R, Freemont, P.S.
Deposit date:1993-10-08
Release date:1994-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a disulfide-linked "trefoil" motif found in a large family of putative growth factors.
Proc.Natl.Acad.Sci.USA, 91, 1994
1DA2
DownloadVisualize
BU of 1da2 by Molmil
MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO4CG): N4-METHOXYCYTOSINE/GUANINE BASE-PAIRS IN Z-DNA
Descriptor: DNA (5'-D(*CP*GP*CP*GP*(C45)P*G)-3')
Authors:Van Meervelt, L, Moore, M.H, Lin, P.K.T, Brown, D.M, Kennard, O.
Deposit date:1992-10-17
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular and crystal structure of d(CGCGmo4CG): N4-methoxycytosine.guanine base-pairs in Z-DNA.
J.Mol.Biol., 216, 1990
2BU5
DownloadVisualize
BU of 2bu5 by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
2BTZ
DownloadVisualize
BU of 2btz by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
2BU7
DownloadVisualize
BU of 2bu7 by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
6FDW
DownloadVisualize
BU of 6fdw by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-356
Descriptor: (4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, GLYCEROL, GUANIDINE, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2017-12-27
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:TbrPDEB1 structure with inhibitor NPD-356
To be published
2BU2
DownloadVisualize
BU of 2bu2 by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
2BU6
DownloadVisualize
BU of 2bu6 by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: (N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
4CZD
DownloadVisualize
BU of 4czd by Molmil
Sirohaem decarboxylase AhbA/B - an enzyme with structural homology to the Lrp/AsnC transcription factor family that is part of the alternative haem biosynthesis pathway.
Descriptor: PUTATIVE TRANSCRIPTIONAL REGULATOR, ASNC FAMILY
Authors:Palmer, D.J, Brown, D.G, Warren, M.J.
Deposit date:2014-04-17
Release date:2014-06-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Structure, Function and Properties of Sirohaem Decarboxylase - an Enzyme with Structural Homology to a Transcription Factor Family that is Part of the Alternative Haem Biosynthesis Pathway.
Mol.Microbiol., 93, 2014
6GXQ
DownloadVisualize
BU of 6gxq by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335
Descriptor: 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, GLYCEROL, GUANIDINE, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-06-27
Release date:2019-07-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
2BU8
DownloadVisualize
BU of 2bu8 by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DICHLORO-ACETIC ACID, MAGNESIUM ION, ...
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
5JFW
DownloadVisualize
BU of 5jfw by Molmil
Crystal structure of TrkA in complex with PF-05247452
Descriptor: 2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide, High affinity nerve growth factor receptor
Authors:Jayasankar, J, Kurumbail, R, Skerratt, S, Brown, D.
Deposit date:2016-04-19
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.
J. Med. Chem., 59, 2016
295D
DownloadVisualize
BU of 295d by Molmil
CRYSTAL AND SOLUTION STRUCTURES OF THE OLIGONUCLEOTIDE D(ATGCGCAT)2: A COMBINED X-RAY AND NMR STUDY
Descriptor: DNA (5'-D(*AP*TP*GP*CP*GP*CP*AP*T)-3')
Authors:Clark, G.R, Brown, D.G, Sanderson, M.R, Chwalinski, T, Neidle, S, Veal, J.M, Jones, R.L, Wilson, W.D, Zon, G, Garman, E, Stuart, D.I.
Deposit date:1991-05-28
Release date:1996-12-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal and solution structures of the oligonucleotide d(ATGCGCAT)2: a combined X-ray and NMR study.
Nucleic Acids Res., 18, 1990
296D
DownloadVisualize
BU of 296d by Molmil
SEQUENCE-DEPENDENT EFFECTS IN DRUG-DNA INTERACTION: THE CRYSTAL STRUCTURE OF HOECHST 33258 BOUND TO THE D(CGCAAATTTGCG)2 DUPLEX
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Spink, N, Brown, D.G, Skelly, J.V, Neidle, S.
Deposit date:1994-07-21
Release date:1996-12-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex.
Nucleic Acids Res., 22, 1994
2CHM
DownloadVisualize
BU of 2chm by Molmil
Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, CGMP-SPECIFIC 3', ...
Authors:Allerton, C.M.N, Barber, C.G, Beaumont, K.C, Brown, D.G, Cole, S.M, Ellis, D, Lane, C.A.L, Maw, G.N, Mount, N.M, Rawson, D.J, Robinson, C.M, Street, S.D.A, Summerhill, N.W.
Deposit date:2006-03-15
Release date:2006-06-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Novel Series of Potent and Selective Pde5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability
J.Med.Chem., 49, 2006
2UWP
DownloadVisualize
BU of 2uwp by Molmil
Factor Xa inhibitor complex
Descriptor: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
Authors:Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P, Thorpe, J.H.
Deposit date:2007-03-22
Release date:2007-05-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
2UWL
DownloadVisualize
BU of 2uwl by Molmil
Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa
Descriptor: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, COAGULATION FACTOR X
Authors:Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P.
Deposit date:2007-03-22
Release date:2007-04-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
2UWO
DownloadVisualize
BU of 2uwo by Molmil
Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa
Descriptor: (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, COAGULATION FACTOR X
Authors:Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P.
Deposit date:2007-03-22
Release date:2007-05-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
6FDI
DownloadVisualize
BU of 6fdi by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-226
Descriptor: 1,2-ETHANEDIOL, 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2017-12-24
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:hPDE4D2 structure with inhibitor NPD-226
To be published
6FW3
DownloadVisualize
BU of 6fw3 by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-007
Descriptor: 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-03-05
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:hPDE4D2 structure with inhibitor NPD-007
To be published
6FT0
DownloadVisualize
BU of 6ft0 by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-425
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-02-20
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:hPDE4D2 structure with inhibitor NPD-425
To be published
6FTW
DownloadVisualize
BU of 6ftw by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-048
Descriptor: 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-02-24
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors.
Bioorg.Med.Chem., 27, 2019

227561

数据于2024-11-20公开中

PDB statisticsPDBj update infoContact PDBjnumon