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PDB: 497 件
8IVN
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BU of 8ivn 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 (1.5 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
8IW3
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BU of 8iw3 by Molmil
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
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
8J7K
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BU of 8j7k 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 (1.36 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
8IVH
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BU of 8ivh 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2023-03-27
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献crystal structure of SulE mutant
To Be Published
8J7L
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BU of 8j7l 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2024-05-01
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献crystal structure of SulE mutant
To Be Published
8IW8
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BU of 8iw8 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2023-03-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献crystal structure of SulE mutant
To Be Published
8J7I
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BU of 8j7i 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2024-05-01
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献crystal structure of SulE mutant
To Be Published
4UUQ
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BU of 4uuq by Molmil
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2024-01-10
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
4UWL
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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-[(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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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
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
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
4YH8
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BU of 4yh8 by Molmil
Structure of yeast U2AF complex
分子名称: Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ZINC ION
著者Yoshida, H, Park, S.Y, Urano, T, Obayashi, E.
登録日2015-02-27
公開日2015-08-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A novel 3' splice site recognition by the two zinc fingers in the U2AF small subunit.
Genes Dev., 29, 2015
4WGG
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BU of 4wgg by Molmil
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
2M4F
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BU of 2m4f by Molmil
Solution Structure of Outer surface protein E
分子名称: Outer surface protein E
著者Bhattacharjee, A, Oeemig, J.S, Kolodziejczyk, R, Meri, T, Kajander, T, Iwai, H, Jokiranta, T, Goldman, A.
登録日2013-02-05
公開日2013-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis for Complement Evasion by Lyme Disease Pathogen Borrelia burgdorferi
J.Biol.Chem., 288, 2013
7C06
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BU of 7c06 by Molmil
Crystal structure of yeast U2AF1 complex bound to 3' splice site RNA, 5'-UAGGU.
分子名称: RNA (5'-R(*U*UP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ...
著者Yoshida, H, Park, S.Y, Urano, T, Obayashi, E.
登録日2020-04-30
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1.
Nat Commun, 11, 2020
7C08
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BU of 7c08 by Molmil
Crystal structure of S34Y mutant of yeast U2AF1 complex bound to 3' splice site RNA, 5'-UAGGU.
分子名称: RNA (5'-R(*U*UP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ...
著者Yoshida, H, Park, S.Y, Urano, T, Obayashi, E.
登録日2020-04-30
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1.
Nat Commun, 11, 2020
7C07
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BU of 7c07 by Molmil
Crystal structure of yeast U2AF1 complex bound to 5'-AAGGU RNA.
分子名称: RNA (5'-R(*U*AP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ...
著者Yoshida, H, Park, S.Y, Urano, T, Obayashi, E.
登録日2020-04-30
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1.
Nat Commun, 11, 2020
1OJT
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BU of 1ojt by Molmil
STRUCTURE OF DIHYDROLIPOAMIDE DEHYDROGENASE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SURFACE PROTEIN
著者Li De La Sierra, I, Prange, T, Pernot, L.
登録日1996-09-06
公開日1997-10-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Molecular structure of the lipoamide dehydrogenase domain of a surface antigen from Neisseria meningitidis.
J.Mol.Biol., 269, 1997
2OJ2
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BU of 2oj2 by Molmil
NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an artificial high affinity ligand (PD1)
分子名称: Hematopoetic Cell Kinase, SH3 domain, artificial peptide PD1
著者Schmidt, H, Hoffmann, S, Tran, T, Stoldt, M, Stangler, T, Wiesehan, K, Willbold, D.
登録日2007-01-12
公開日2007-01-30
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structure of a Hck SH3 Domain Ligand Complex Reveals Novel Interaction Modes
J.Mol.Biol., 365, 2007
2OI3
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NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an artificial high affinity ligand (PD1)
分子名称: Tyrosine-protein kinase HCK, artificial peptide PD1
著者Schmidt, H, Stoldt, M, Hoffmann, S, Tran, T, Willbold, D.
登録日2007-01-10
公開日2007-02-20
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structure of a Hck SH3 Domain Ligand Complex Reveals Novel Interaction Modes
J.Mol.Biol., 365, 2007
1OS0
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BU of 1os0 by Molmil
Thermolysin with an alpha-amino phosphinic inhibitor
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, N-{(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine, ...
著者Selkti, M, Tomas, A, Prange, T.
登録日2003-03-18
公開日2003-03-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
2PR0
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BU of 2pr0 by Molmil
Crystal structure of Sylvaticin, a new secreted protein from Pythium Sylvaticum
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NICKEL (II) ION, sylvaticin
著者Lascombe, M.B, Prange, T, Retailleau, P.
登録日2007-05-03
公開日2008-03-18
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure of sylvaticin, a new alpha-elicitin-like protein from Pythium sylvaticum.
Acta Crystallogr.,Sect.D, 63, 2007
2PKV
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D-(GGTATACC) ambient pressure
分子名称: 5'-D(*GP*GP*TP*AP*TP*AP*CP*C)-3'
著者Girard, E, Prange, T, Kahn, R, Fourme, R.
登録日2007-04-18
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Adaptation of the base-paired double-helix molecular architecture to extreme pressure.
Nucleic Acids Res., 35, 2007

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