8IVN
 
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-28 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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8IVT
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-28 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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8IW3
 | | crystal structure of SulE mutant | | Descriptor: | 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, GLYCEROL, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-29 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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8J7G
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-04-27 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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8J7K
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-04-27 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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8IVH
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-27 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | crystal structure of SulE mutant
To Be Published
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8J7L
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-04-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | crystal structure of SulE mutant
To Be Published
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8IW8
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8J7I
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-04-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | crystal structure of SulE mutant
To Be Published
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4UUQ
 | | 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
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4UWL
 | | 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: | 2024-05-01 | | 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
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4UWK
 | | 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: | 2024-05-01 | | 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
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4UWH
 | | 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: | 2024-05-01 | | 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
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4YH8
 | | Structure of yeast U2AF complex | | Descriptor: | Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ZINC ION | | Authors: | Yoshida, H, Park, S.Y, Urano, T, Obayashi, E. | | Deposit date: | 2015-02-27 | | Release date: | 2015-08-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A novel 3' splice site recognition by the two zinc fingers in the U2AF small subunit.
Genes Dev., 29, 2015
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4WGG
 | | STRUCTURE OF THE TERNARY COMPLEX OF A ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE IN COMPLEX WITH NADP AND CONIFERYL ALDEHYDE | | Descriptor: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, Double Bond Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Collery, J, Langlois d'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R. | | Deposit date: | 2014-09-18 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | STRUCTURE OF ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE
to be published
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2M4F
 | | Solution Structure of Outer surface protein E | | Descriptor: | Outer surface protein E | | Authors: | Bhattacharjee, A, Oeemig, J.S, Kolodziejczyk, R, Meri, T, Kajander, T, Iwai, H, Jokiranta, T, Goldman, A. | | Deposit date: | 2013-02-05 | | Release date: | 2013-05-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Complement Evasion by Lyme Disease Pathogen Borrelia burgdorferi
J.Biol.Chem., 288, 2013
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7C06
 | | Crystal structure of yeast U2AF1 complex bound to 3' splice site RNA, 5'-UAGGU. | | Descriptor: | RNA (5'-R(*U*UP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ... | | Authors: | Yoshida, H, Park, S.Y, Urano, T, Obayashi, E. | | Deposit date: | 2020-04-30 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1.
Nat Commun, 11, 2020
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7C08
 | | Crystal structure of S34Y mutant of yeast U2AF1 complex bound to 3' splice site RNA, 5'-UAGGU. | | Descriptor: | RNA (5'-R(*U*UP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ... | | Authors: | Yoshida, H, Park, S.Y, Urano, T, Obayashi, E. | | Deposit date: | 2020-04-30 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1.
Nat Commun, 11, 2020
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7C07
 | | Crystal structure of yeast U2AF1 complex bound to 5'-AAGGU RNA. | | Descriptor: | RNA (5'-R(*U*AP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ... | | Authors: | Yoshida, H, Park, S.Y, Urano, T, Obayashi, E. | | Deposit date: | 2020-04-30 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1.
Nat Commun, 11, 2020
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1OJT
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2OJ2
 | | NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an artificial high affinity ligand (PD1) | | Descriptor: | Hematopoetic Cell Kinase, SH3 domain, artificial peptide PD1 | | Authors: | Schmidt, H, Hoffmann, S, Tran, T, Stoldt, M, Stangler, T, Wiesehan, K, Willbold, D. | | Deposit date: | 2007-01-12 | | Release date: | 2007-01-30 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Hck SH3 Domain Ligand Complex Reveals Novel Interaction Modes
J.Mol.Biol., 365, 2007
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2OI3
 | | NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an artificial high affinity ligand (PD1) | | Descriptor: | Tyrosine-protein kinase HCK, artificial peptide PD1 | | Authors: | Schmidt, H, Stoldt, M, Hoffmann, S, Tran, T, Willbold, D. | | Deposit date: | 2007-01-10 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Hck SH3 Domain Ligand
Complex Reveals Novel Interaction Modes
J.Mol.Biol., 365, 2007
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1OS0
 | | Thermolysin with an alpha-amino phosphinic inhibitor | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, N-{(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine, ... | | Authors: | Selkti, M, Tomas, A, Prange, T. | | Deposit date: | 2003-03-18 | | Release date: | 2003-03-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Interactions of a new alpha-aminophosphinic derivative inside the active site of TLN (thermolysin): a model for zinc-metalloendopeptidase inhibition.
Acta Crystallogr.,Sect.D, 59, 2003
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2PR0
 | | Crystal structure of Sylvaticin, a new secreted protein from Pythium Sylvaticum | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NICKEL (II) ION, sylvaticin | | Authors: | Lascombe, M.B, Prange, T, Retailleau, P. | | Deposit date: | 2007-05-03 | | Release date: | 2008-03-18 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure of sylvaticin, a new alpha-elicitin-like protein from Pythium sylvaticum.
Acta Crystallogr.,Sect.D, 63, 2007
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2PKV
 | | D-(GGTATACC) ambient pressure | | Descriptor: | 5'-D(*GP*GP*TP*AP*TP*AP*CP*C)-3' | | Authors: | Girard, E, Prange, T, Kahn, R, Fourme, R. | | Deposit date: | 2007-04-18 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Adaptation of the base-paired double-helix molecular architecture to extreme pressure.
Nucleic Acids Res., 35, 2007
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