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PDB: 722 件
8J7J
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crystal structure of SulE mutant
分子名称: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Liu, B, He, J, Ran, T, Wang, W.
登録日2023-04-27
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IW3
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crystal structure of SulE mutant
分子名称: 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, GLYCEROL, ...
著者Liu, B, He, J, Ran, T, Wang, W.
登録日2023-03-29
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8J7K
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crystal structure of SulE mutant
分子名称: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Liu, B, He, J, Ran, T, Wang, W.
登録日2023-04-27
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IW6
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crystal structure of SulE mutant
分子名称: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Liu, B, He, J, Ran, T, Wang, W.
登録日2023-03-29
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IVE
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crystal structure of SulE mutant
分子名称: 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, GLYCEROL
著者Liu, B, He, J, Ran, T, Wang, W.
登録日2023-03-27
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IVN
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crystal structure of SulE mutant
分子名称: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Liu, B, He, J, Ran, T, Wang, W.
登録日2023-03-28
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8IVT
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BU of 8ivt by Molmil
crystal structure of SulE mutant
分子名称: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Liu, B, He, J, Ran, T, Wang, W.
登録日2023-03-28
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
8J7G
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BU of 8j7g by Molmil
crystal structure of SulE mutant
分子名称: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Liu, B, He, J, Ran, T, Wang, W.
登録日2023-04-27
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
5X1R
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PpkA-294 apo form
分子名称: PpkA-294
著者Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W.
登録日2017-01-26
公開日2018-01-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
4UUQ
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Crystal structure of human mono-glyceride lipase in complex with SAR127303
分子名称: 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE
著者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.
登録日2014-07-30
公開日2015-01-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献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
4I35
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The crystal structure of serralysin
分子名称: CALCIUM ION, GLYCEROL, HEXANE, ...
著者Zou, M, Ran, T, Xu, D, Wang, W.
登録日2012-11-24
公開日2013-11-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献The crystal structure of serralysin
To be Published
4UWG
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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
分子名称: (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
著者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.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
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
分子名称: (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
著者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.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献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
分子名称: (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
著者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.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
4UWK
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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
分子名称: (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, ...
著者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.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献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
4UYN
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SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: 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
著者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.
登録日2014-09-02
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
5SWD
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BU of 5swd by Molmil
Structure of the adenine riboswitch aptamer domain in an intermediate-bound state
分子名称: ADENINE, MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, ...
著者Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H.
登録日2016-08-08
公開日2016-11-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
5SWE
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Ligand-bound structure of adenine riboswitch aptamer domain converted in crystal from its ligand-free state using ligand mixing serial femtosecond crystallography
分子名称: ADENINE, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain
著者Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H.
登録日2016-08-08
公開日2016-11-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
4WE3
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BU of 4we3 by Molmil
STRUCTURE OF THE BINARY COMPLEX OF A ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE IN COMPLEX WITH NADP MONOCLINIC CRYSTAL FORM
分子名称: Double Bond Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Collery, J, Langlois d'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R.
登録日2014-09-09
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献STRUCTURE OF ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE
to be published
4WLW
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CRYSTAL STRUCTURE OF THE AG(I) (ACTIVATOR) FORM OF E. COLI CUER, A COPPER EFFLUX REGULATOR, BOUND TO COPA PROMOTER DNA
分子名称: DNA NON-TEMPLATE STRAND (5-D(*DGP*DAP*DCP*DCP *DTP*DTP*DCP*DCP*DCP*DCP*DTP*DTP*DGP*DCP*DTP*DGP*DGP*DAP *DAP*DGP*DGP*DTP*DC)-3, DNA TEMPLATE STRAND (5-D(*DGP*DAP*DCP*DCP*DTP *DTP*DCP*DCP*DAP*DGP*DCP*DAP*DAP*DGP*DGP*DGP*DGP*DAP*DAP *DGP*DGP*DTP*DC)-3, HTH-type transcriptional regulator CueR, ...
著者Philips, S.J, Canalizo-Hernandez, M, Mondragon, A, O'Halloran, T.V.
登録日2014-10-08
公開日2015-09-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献TRANSCRIPTION. Allosteric transcriptional regulation via changes in the overall topology of the core promoter.
Science, 349, 2015
4WOG
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Crystal Structure of Frutalin from Artocarpus incisa
分子名称: Frutalin
著者Pereira, H.M, Moreira, A.C.O.M, Vieira Neto, A.E, Moreno, F.B.M.B, Lobo, M.D.P, Sousa, F.D, Grangeiro, T.B, Moreira, R.A.
登録日2014-10-15
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.813 Å)
主引用文献Crystal Structure of Frutalin from Artocarpus incisa
To Be Published
4WLS
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Crystal structure of the metal-free (repressor) form of E. Coli CUER, a copper efflux regulator, bound to COPA promoter DNA
分子名称: COPA PROMOTER DNA NON-TEMPLATE STRAND, COPA PROMOTER DNA NON-TEMPLATE STRAND (ALTERNATE CONFORMATION), COPA PROMOTER DNA TEMPLATE STRAND, ...
著者Philips, S.J, Canalizo-Hernandez, M, Mondragon, A, O'Halloran, T.V.
登録日2014-10-08
公開日2015-09-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Allosteric transcriptional regulation via changes in the overall topology of the core promoter.
Science, 349, 2015
4WGG
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STRUCTURE OF THE TERNARY COMPLEX OF A ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE IN COMPLEX WITH NADP AND CONIFERYL ALDEHYDE
分子名称: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, Double Bond Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Collery, J, Langlois d'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R.
登録日2014-09-18
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献STRUCTURE OF ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE
to be published
4TX7
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Crystal structure of chitinase (GH19) from Vigna unguiculata
分子名称: Class I chitinase
著者Pereira, H.M, Castro-Landin, P.G, Brandao-Neto, J, Grangeiro, T.B.
登録日2014-07-02
公開日2015-10-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Production in Pichia pastoris, antifungal activity and crystal structure of a class I chitinase from cowpea (Vigna unguiculata): Insights into sugar binding mode and hydrolytic action.
Biochimie, 2017
5TAR
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Crystal structure of farnesylated and methylated kras4b in complex with PDE-delta (crystal form II - with ordered hypervariable region)
分子名称: 1,2-ETHANEDIOL, FARNESYL, GTPase KRas, ...
著者Dharmaiah, S, Tran, T.H, Simanshu, D.K.
登録日2016-09-10
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of recognition of farnesylated and methylated KRAS4b by PDE delta.
Proc.Natl.Acad.Sci.USA, 113, 2016

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