Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 1814 results

5TQ3
DownloadVisualize
BU of 5tq3 by Molmil
Design and Synthesis of a pan-JAK kinase inhibitor clinical candidate (PF-06263276) suitable for the treatment of inflammatory diseases of the lungs and skin
Descriptor: 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-ethylphenol, Tyrosine-protein kinase JAK2
Authors:Chrencik, J, Jones, P.
Deposit date:2016-10-23
Release date:2017-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ4
DownloadVisualize
BU of 5tq4 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
Descriptor: 6-(2-ethyl-4-hydroxyphenyl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase JAK2
Authors:Chrencik, J, Jones, P.
Deposit date:2016-10-23
Release date:2017-01-11
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
3LXN
DownloadVisualize
BU of 3lxn by Molmil
Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
Descriptor: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Non-receptor tyrosine-protein kinase TYK2
Authors:Chrencik, J.E, Benson, T.E.
Deposit date:2010-02-25
Release date:2010-06-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
3LXP
DownloadVisualize
BU of 3lxp by Molmil
Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
Descriptor: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Non-receptor tyrosine-protein kinase TYK2
Authors:Chrencik, J.E, Benson, T.E.
Deposit date:2010-02-25
Release date:2010-06-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
3LXK
DownloadVisualize
BU of 3lxk by Molmil
Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
Descriptor: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK3
Authors:Chrencik, J.E, Patny, A, Leung, I.K, Korniski, B, Emmons, T.L, Benson, T.E.
Deposit date:2010-02-25
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
3LXL
DownloadVisualize
BU of 3lxl by Molmil
Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
Descriptor: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase JAK3
Authors:Chrencik, J.E, Benson, T.E.
Deposit date:2010-02-25
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
5TQ6
DownloadVisualize
BU of 5tq6 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
Descriptor: Tyrosine-protein kinase JAK2, {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone
Authors:Chrencik, J, Jones, P.
Deposit date:2016-10-23
Release date:2017-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
6HY1
DownloadVisualize
BU of 6hy1 by Molmil
Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ...
Authors:Sprenger, J, Coertzen, D, Persson, L, Carey, J, Birkholtz, L.M, Louw, B.I.
Deposit date:2018-10-19
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal
To Be Published
6I1N
DownloadVisualize
BU of 6i1n by Molmil
Plasmodium falciparum spermidine synthase in complex with N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, Spermidine synthase, ...
Authors:Sprenger, J, Coertzen, D, Persson, L, Carey, J, Birkholtz, L.M, Louw, B.I.
Deposit date:2018-10-29
Release date:2019-11-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85000134 Å)
Cite:Plasmodium falciparum spermidine synthase in complex with N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine
To Be Published
4KHV
DownloadVisualize
BU of 4khv by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23S at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Sorenson, J.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2013-05-01
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS V23S at cryogenic temperature
TO BE PUBLISHED
4Z36
DownloadVisualize
BU of 4z36 by Molmil
Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-3080573
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562
Authors:Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
Deposit date:2015-03-30
Release date:2015-06-03
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4Z34
DownloadVisualize
BU of 4z34 by Molmil
Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Lysophosphatidic acid receptor 1, Soluble cytochrome b562, ...
Authors:Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
Deposit date:2015-03-30
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4FEQ
DownloadVisualize
BU of 4feq by Molmil
Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
Descriptor: 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase receptor TYRO3
Authors:Ohren, J.F, Powell, N.A, Kohrt, J.T, Perrin, L.A.
Deposit date:2012-05-30
Release date:2013-03-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.
Bioorg.Med.Chem.Lett., 23, 2013
4FF8
DownloadVisualize
BU of 4ff8 by Molmil
Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
Descriptor: 4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Tyrosine-protein kinase receptor TYRO3
Authors:Ohren, J.F, Powell, N.A, Kohrt, J, Perrin, L.A.
Deposit date:2012-05-31
Release date:2013-03-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.
Bioorg.Med.Chem.Lett., 23, 2013
4PAD
DownloadVisualize
BU of 4pad by Molmil
Binding of chloromethyl ketone substrate analogues to crystalline papain
Descriptor: N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, PAPAIN
Authors:Drenth, J.
Deposit date:1976-11-01
Release date:1977-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
4Z35
DownloadVisualize
BU of 4z35 by Molmil
Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-9910539
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562
Authors:Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
Deposit date:2015-03-30
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
3R8A
DownloadVisualize
BU of 3r8a by Molmil
X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity
Descriptor: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2011-03-23
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma.
J.Med.Chem., 54, 2011
3QUP
DownloadVisualize
BU of 3qup by Molmil
Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
Descriptor: (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone, Tyrosine-protein kinase receptor TYRO3
Authors:Ohren, J.F.
Deposit date:2011-02-24
Release date:2011-12-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel and selective spiroindoline-based inhibitors of sky kinase.
Bioorg.Med.Chem.Lett., 22, 2012
4HHW
DownloadVisualize
BU of 4hhw by Molmil
Crystal structure of the Pseudomonas aeruginosa azurin, H124NO YOH122
Descriptor: Azurin, COPPER (II) ION
Authors:Warren, J.J, Herrera, N, Gray, H.B.
Deposit date:2012-10-10
Release date:2012-11-21
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Electron Flow through Nitrotyrosinate in Pseudomonas aeruginosa Azurin.
J.Am.Chem.Soc., 135, 2013
4BP1
DownloadVisualize
BU of 4bp1 by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Methylthioadenosine and Putrescine
Descriptor: 1,4-DIAMINOBUTANE, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
Deposit date:2013-05-23
Release date:2014-06-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
3QW3
DownloadVisualize
BU of 3qw3 by Molmil
Structure of Leishmania donovani OMP decarboxylase
Descriptor: Orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative (Ompdcase-oprtase, putative), ...
Authors:French, J.B, Ealick, S.E.
Deposit date:2011-02-26
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
3QW4
DownloadVisualize
BU of 3qw4 by Molmil
Structure of Leishmania donovani UMP synthase
Descriptor: CHLORIDE ION, UMP synthase, URIDINE-5'-MONOPHOSPHATE
Authors:French, J.B, Ealick, S.E.
Deposit date:2011-02-26
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
4GH8
DownloadVisualize
BU of 4gh8 by Molmil
Crystal structure of a 'humanized' E. coli dihydrofolate reductase
Descriptor: CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ...
Authors:French, J.B, Liu, C.T, Hanoian, P, Pringle, T.H, Hammes-Schiffer, S, Benkovic, S.J.
Deposit date:2012-08-07
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans.
Proc.Natl.Acad.Sci.USA, 110, 2013
4BP3
DownloadVisualize
BU of 4bp3 by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with DECARBOXYLATED S-ADENOSYLMETHIONINE5' AND 4- METHYLANILINE
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-METHYLANILINE, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, ...
Authors:Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
Deposit date:2013-05-23
Release date:2014-06-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
3O7I
DownloadVisualize
BU of 3o7i by Molmil
Crystal structure of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase from Klebsiella pneumoniae
Descriptor: OHCU decarboxylase
Authors:French, J.B, Ealick, S.E.
Deposit date:2010-07-30
Release date:2010-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Mechanistic Studies on Klebsiella pneumoniae 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline Decarboxylase.
J.Biol.Chem., 285, 2010

223532

數據於2024-08-07公開中

PDB statisticsPDBj update infoContact PDBjnumon