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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
4I35
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BU of 4i35 by Molmil
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
4UYN
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BU of 4uyn by Molmil
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
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
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
7BV9
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BU of 7bv9 by Molmil
The NMR structure of the BEN domain from human NAC1
分子名称: Nucleus accumbens-associated protein 1
著者Nagata, T, Kobayashi, N, Nakayama, N, Obayashi, E, Urano, T.
登録日2020-04-09
公開日2021-02-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Nucleus Accumbens-Associated Protein 1 Binds DNA Directly through the BEN Domain in a Sequence-Specific Manner.
Biomedicines, 8, 2020
5JUS
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BU of 5jus by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure III (mid-rotated 40S subunit)
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
登録日2016-05-10
公開日2016-10-05
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
5JUT
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Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure IV (almost non-rotated 40S subunit)
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
登録日2016-05-10
公開日2016-10-05
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
5JUO
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BU of 5juo by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure I (fully rotated 40S subunit)
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
登録日2016-05-10
公開日2016-10-05
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
3CKU
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BU of 3cku by Molmil
Urate oxidase from aspergillus flavus complexed with its inhibitor 8-azaxanthin and chloride
分子名称: 8-AZAXANTHINE, CHLORIDE ION, SODIUM ION, ...
著者Colloc'h, N, Prange, T.
登録日2008-03-17
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Oxygen pressurized X-ray crystallography: probing the dioxygen binding site in cofactorless urate oxidase and implications for its catalytic mechanism.
Biophys.J., 95, 2008
5L3O
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BU of 5l3o by Molmil
Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer
分子名称: Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ...
著者Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y.
登録日2016-05-24
公開日2017-03-01
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
5L6K
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BU of 5l6k by Molmil
Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer
分子名称: Aromatic foldamer, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y.
登録日2016-05-30
公開日2017-03-01
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
5L9E
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BU of 5l9e by Molmil
CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
分子名称: Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ...
著者Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I.
登録日2016-06-10
公開日2017-06-21
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
5L6T
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BU of 5l6t by Molmil
CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
分子名称: Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ...
著者Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
5L70
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BU of 5l70 by Molmil
CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
分子名称: Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ...
著者Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I.
登録日2016-06-01
公開日2017-06-21
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
5JUU
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BU of 5juu by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure V (least rotated 40S subunit)
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
登録日2016-05-10
公開日2016-10-05
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
5JUP
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BU of 5jup by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure II (mid-rotated 40S subunit)
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
登録日2016-05-10
公開日2016-10-05
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
3DMI
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BU of 3dmi by Molmil
Crystallization and Structural Analysis of Cytochrome c6 from the Diatom Phaeodactylum tricornutum at 1.5 A resolution
分子名称: HEME C, MAGNESIUM ION, cytochrome c6
著者Akazaki, H, Kawai, F, Hosokawa, M, Hama, T, Hirano, T, Lim, B.-K, Sakurai, N, Hakamata, W, Park, S.-Y, Nishio, T, Oku, T.
登録日2008-07-01
公開日2009-03-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallization and structural analysis of cytochrome c(6) from the diatom Phaeodactylum tricornutum at 1.5 A resolution.
Biosci.Biotechnol.Biochem., 73, 2009
2PKV
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BU of 2pkv by Molmil
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
2POS
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BU of 2pos 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, CHLORIDE ION, NICKEL (II) ION, ...
著者Lascombe, M.B, Prange, T.
登録日2007-04-27
公開日2008-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of sylvaticin, a new alpha-elicitin-like protein from Pythium sylvaticum.
Acta Crystallogr.,Sect.D, 63, 2007
3GSH
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BU of 3gsh by Molmil
Three-dimensional structure of a post translational modified barley LTP1
分子名称: (12E)-10-oxooctadec-12-enoic acid, Non-specific lipid-transfer protein 1, SODIUM ION, ...
著者Lascombe, M.B, Prange, T, Bakan, B, Marion, D.
登録日2009-03-27
公開日2009-12-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of oxylipin-conjugated barley LTP1 highlights the unique plasticity of the hydrophobic cavity of these plant lipid-binding proteins.
Biochem.Biophys.Res.Commun., 390, 2009
6FDL
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BU of 6fdl by Molmil
Crystal structure of the NYN domain of human MARF1
分子名称: Meiosis regulator and mRNA stability factor 1
著者Jinek, M, Brandmann, T.
登録日2017-12-26
公開日2018-11-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Human MARF1 is an endoribonuclease that interacts with the DCP1:2 decapping complex and degrades target mRNAs.
Nucleic Acids Res., 46, 2018
3HFS
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BU of 3hfs by Molmil
Structure of apo anthocyanidin reductase from vitis vinifera
分子名称: Anthocyanidin reductase, CHLORIDE ION
著者Gargouri, M, Mauge, C, Langlois d'Estaintot, B, Granier, T, Manigan, C, Gallois, B.
登録日2009-05-12
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Structure and epimerase activity of anthocyanidin reductase from Vitis vinifera.
Acta Crystallogr.,Sect.D, 65, 2009
3I5M
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Structure of the apo form of leucoanthocyanidin reductase from vitis vinifera
分子名称: Putative leucoanthocyanidin reductase 1
著者Mauge, C, Gargouri, M, d'Estaintot, B.L, Granier, T, Gallois, B.
登録日2009-07-06
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystal structure and catalytic mechanism of leucoanthocyanidin reductase from Vitis vinifera.
J.Mol.Biol., 397, 2010
3I6I
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Structure of the binary complex leucoanthocyanidin reductase - NADPH from vitis vinifera
分子名称: ACETIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative leucoanthocyanidin reductase 1
著者Mauge, C, Gargouri, M, d'Estaintot, B.L, Granier, T, Gallois, B.
登録日2009-07-07
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure and catalytic mechanism of leucoanthocyanidin reductase from Vitis vinifera.
J.Mol.Biol., 397, 2010

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