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5LX5
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BU of 5lx5 by Molmil
CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP.
Descriptor: DIPHOSPHATE, Nicotinamide phosphoribosyltransferase, [(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Bertrand, T, Marquette, J.P.
Deposit date:2016-09-20
Release date:2017-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP
To Be Published
5LX3
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BU of 5lx3 by Molmil
CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782.
Descriptor: 6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Bertrand, T, Marquette, J.P.
Deposit date:2016-09-20
Release date:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782.
To Be Published
1KYA
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BU of 1kya by Molmil
ACTIVE LACCASE FROM TRAMETES VERSICOLOR COMPLEXED WITH 2,5-XYLIDINE
Descriptor: 2,5-DIMETHYLANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Bertrand, T, Jolivalt, C, Briozzo, P, Caminade, E, Joly, N, Madzak, C, Mougin, C.
Deposit date:2002-02-04
Release date:2002-06-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a four-copper laccase complexed with an arylamine: insights into substrate recognition and correlation with kinetics.
Biochemistry, 41, 2002
1SJ2
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BU of 1sj2 by Molmil
Crystal structure of Mycobacterium tuberculosis catalase-peroxidase
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase/catalase T
Authors:Bertrand, T, Eady, N.A.J, Jones, J.N, Bodiguel, J, Jesmin, Nagy, J.M, Raven, E.L, Jamart-Gregoire, B, Brown, K.A.
Deposit date:2004-03-02
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal Structure of Mycobacterium tuberculosis Catalase-Peroxidase.
J.Biol.Chem., 279, 2004
3JWE
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BU of 3jwe by Molmil
Crystal structure of human mono-glyceride lipase in complex with SAR629
Descriptor: 1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine, MGLL protein
Authors:Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M.
Deposit date:2009-09-18
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for human monoglyceride lipase inhibition.
J.Mol.Biol., 396, 2010
3JW8
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BU of 3jw8 by Molmil
Crystal structure of human mono-glyceride lipase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, MGLL protein
Authors:Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M.
Deposit date:2009-09-18
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for human monoglyceride lipase inhibition.
J.Mol.Biol., 396, 2010
4ASZ
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BU of 4asz by Molmil
Crystal structure of apo TrkB kinase domain
Descriptor: BDNF/NT-3 GROWTH FACTORS RECEPTOR
Authors:Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
Deposit date:2012-05-03
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4AT4
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BU of 4at4 by Molmil
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429
Descriptor: 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, BDNF/NT-3 GROWTH FACTORS RECEPTOR
Authors:Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
Deposit date:2012-05-03
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4AT5
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BU of 4at5 by Molmil
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH GW2580
Descriptor: 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine, BDNF/NT-3 GROWTH FACTORS RECEPTOR, GLYCEROL
Authors:Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
Deposit date:2012-05-03
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4AT3
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BU of 4at3 by Molmil
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH CPD5N
Descriptor: (5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide, BDNF/NT-3 GROWTH FACTORS RECEPTOR
Authors:Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
Deposit date:2012-05-03
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
1KDO
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BU of 1kdo by Molmil
CYTIDINE MONOPHOSPHATE KINASE FROM E. COLI IN COMPLEX WITH CYTIDINE MONOPHOSPHATE
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, CYTIDYLATE KINASE, SULFATE ION
Authors:Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M.
Deposit date:2001-11-13
Release date:2002-01-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme.
J.Mol.Biol., 315, 2002
1KDR
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BU of 1kdr by Molmil
CYTIDINE MONOPHOSPHATE KINASE FROM E.COLI IN COMPLEX WITH ARA-CYTIDINE MONOPHOSPHATE
Descriptor: CYTIDYLATE KINASE, CYTOSINE ARABINOSE-5'-PHOSPHATE, SULFATE ION
Authors:Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M.
Deposit date:2001-11-13
Release date:2002-01-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme.
J.Mol.Biol., 315, 2002
1KDP
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BU of 1kdp by Molmil
CYTIDINE MONOPHOSPHATE KINASE FROM E. COLI IN COMPLEX WITH 2'-DEOXY-CYTIDINE MONOPHOSPHATE
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, CYTIDYLATE KINASE, SULFATE ION
Authors:Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M.
Deposit date:2001-11-13
Release date:2002-01-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme.
J.Mol.Biol., 315, 2002
1KDT
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BU of 1kdt by Molmil
CYTIDINE MONOPHOSPHATE KINASE FROM E.COLI IN COMPLEX WITH 2',3'-DIDEOXY-CYTIDINE MONOPHOSPHATE
Descriptor: 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, CYTIDYLATE KINASE, SULFATE ION
Authors:Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M.
Deposit date:2001-11-13
Release date:2002-01-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme.
J.Mol.Biol., 315, 2002
6RO0
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BU of 6ro0 by Molmil
CRYSTAL STRUCTURE OF GENETICALLY DETOXIFIED PERTUSSIS TOXIN GDPT.
Descriptor: GLYCEROL, Islet-activating protein S2, Islet-activating protein S3, ...
Authors:Bertrand, T.
Deposit date:2019-05-10
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Genetically detoxified pertussis toxin displays near identical structure to its wild-type and exhibits robust immunogenicity.
Commun Biol, 3, 2020
6FG1
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BU of 6fg1 by Molmil
CRYSTAL STRUCTURE OF FAB OF NATALIZUMAB IN COMPLEX WITH FAB OF NAA32.
Descriptor: GLYCEROL, HEAVY CHAIN OF FAB NAA32, HEAVY CHAIN OF FAB NATALIZUMAB, ...
Authors:Bertrand, T, Pouzieux, S.
Deposit date:2018-01-09
Release date:2019-07-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A single T cell epitope drives the neutralizing anti-drug antibody response to natalizumab in multiple sclerosis patients.
Nat. Med., 25, 2019
6FG2
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BU of 6fg2 by Molmil
CRYSTAL STRUCTURE OF FAB OF NATALIZUMAB IN COMPLEX WITH FAB OF NAA84.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN FAB NAA84, HEAVY CHAIN FAB NATALIZUMAB, ...
Authors:Bertrand, T, Pouzieux, S.
Deposit date:2018-01-09
Release date:2019-07-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.788 Å)
Cite:A single T cell epitope drives the neutralizing anti-drug antibody response to natalizumab in multiple sclerosis patients.
Nat. Med., 25, 2019
7A47
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BU of 7a47 by Molmil
KRASG12C GDP form in complex with Cpd4
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ~{N}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide
Authors:Bertrand, T, Steier, V.
Deposit date:2020-08-19
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
4UUQ
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BU of 4uuq by Molmil
Crystal structure of human mono-glyceride lipase in complex with SAR127303
Descriptor: 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE
Authors:Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J.
Deposit date:2014-07-30
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
4UWK
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BU of 4uwk by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ...
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UWL
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BU of 4uwl by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UWH
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BU of 4uwh by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UWF
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BU of 4uwf by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UWG
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BU of 4uwg by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UYN
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SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
Authors:Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C.
Deposit date:2014-09-02
Release date:2014-11-19
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015

 

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