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PDB: 95 件

1W7K
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BU of 1w7k by Molmil
E.coli FolC in complex with ADP, without folate substrate
分子名称: ADENOSINE-5'-DIPHOSPHATE, FOLC BIFUNCTIONAL PROTEIN, MAGNESIUM ION, ...
著者Mathieu, M, Debousker, G, Vincent, S, Viviani, F, Bamas-Jacques, N, Mikol, V.
登録日2004-09-06
公開日2005-02-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Escherichia Coli Folc Structure Reveals an Unexpected Dihydrofolate Binding Site Providing an Attractive Target for Anti-Microbial Therapy
J.Biol.Chem., 280, 2005
5LWP
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BU of 5lwp by Molmil
Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists
分子名称: 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma
著者Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F.
登録日2016-09-19
公開日2016-11-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
6ZH7
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BU of 6zh7 by Molmil
Crystal structure of fatty acid photodecarboxylase in the dark state determined by serial femtosecond crystallography at room temperature
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
著者Hadjidemetriou, K, Coquelle, N, Weik, M, Schlichting, I, Barends, T.R.M, Colletier, J.P.
登録日2020-06-21
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
5FVI
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BU of 5fvi by Molmil
Structure of IrisFP in mineral grease at 100 K.
分子名称: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION
著者Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M.
登録日2016-02-07
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett., 7, 2016
7R36
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BU of 7r36 by Molmil
Difference-refined structure of fatty acid photodecarboxylase 2 microsecond following 400-nm laser irradiation of the dark-state determined by SFX
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
著者Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M.
登録日2022-02-06
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned.
Acta Crystallogr D Struct Biol, 78, 2022
7R33
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BU of 7r33 by Molmil
Difference-refined structure of fatty acid photodecarboxylase 20 ps following 400-nm laser irradiation of the dark-state determined by SFX
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
著者Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M.
登録日2022-02-06
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned.
Acta Crystallogr D Struct Biol, 78, 2022
7R34
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Difference-refined structure of fatty acid photodecarboxylase 900 ps following 400-nm laser irradiation of the dark-state determined by SFX
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
著者Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M.
登録日2022-02-06
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned.
Acta Crystallogr D Struct Biol, 78, 2022
7R35
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BU of 7r35 by Molmil
Difference-refined structure of fatty acid photodecarboxylase 300 ns following 400-nm laser irradiation of the dark-state determined by SFX
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
著者Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, W.
登録日2022-02-06
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned.
Acta Crystallogr D Struct Biol, 78, 2022
5FVG
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BU of 5fvg by Molmil
Structure of IrisFP at 100 K.
分子名称: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION
著者Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M.
登録日2016-02-07
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett, 7, 2016
5FVF
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BU of 5fvf by Molmil
Room temperature structure of IrisFP determined by serial femtosecond crystallography.
分子名称: AMMONIUM ION, Green to red photoconvertible GFP-like protein EosFP, SULFATE ION
著者Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M.
登録日2016-02-06
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett., 7, 2016
6Q88
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BU of 6q88 by Molmil
RT structure of HEWL at 5 kGy
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C
著者de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M.
登録日2018-12-14
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74007058 Å)
主引用文献Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Q8T
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BU of 6q8t by Molmil
Cryo structure of HEWL at 81 kGy
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C
著者de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M.
登録日2018-12-16
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74008667 Å)
主引用文献Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6GVF
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BU of 6gvf by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
分子名称: 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F.
登録日2018-06-21
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6GVH
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BU of 6gvh by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-4-chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine
分子名称: 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F.
登録日2018-06-21
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6GVI
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BU of 6gvi by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
分子名称: 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F.
登録日2018-06-21
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6GVG
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BU of 6gvg by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine
分子名称: 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F.
登録日2018-06-21
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
3D90
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BU of 3d90 by Molmil
Crystal structure of the human progesterone receptor ligand-binding domain bound to levonorgestrel
分子名称: 13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE, Progesterone receptor
著者Petit-Topin, I, Turque, N, Ulman, A, Gainer, E, Rafestin-Oblin, M.E, Fagart, J.
登録日2008-05-26
公開日2009-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Met909 plays a key role in the activation of the progesterone receptor and also in the high potency of 13-ethyl progestins
Mol.Pharmacol., 75, 2009
2XXB
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BU of 2xxb by Molmil
Penta-mutant of Thermus thermophilus lactate dehydrogenase, complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, L-LACTATE DEHYDROGENASE
著者Diop, F, Coquelle, N, Vellieux, F.M.D.
登録日2010-11-09
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Lactate Dehydrogenase from T. Thermophilus, Penta-Mutant (Complex with AMP)
To be Published
4HDD
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BU of 4hdd by Molmil
Domain swapping in the cytoplasmic domain of the Escherichia coli rhomboid protease
分子名称: ACETATE ION, Rhomboid protease GlpG
著者Lazareno-Saez, C, Arutyunova, E, Coquelle, N, Lemieux, M.J.
登録日2012-10-02
公開日2013-02-06
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Domain swapping in the cytoplasmic domain of the Escherichia coli rhomboid protease.
J.Mol.Biol., 425, 2013
5NHY
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BU of 5nhy by Molmil
BAY-707 in complex with MTH1
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SULFATE ION, ...
著者Ellermann, M, Eheim, A, Giese, A, Bunse, S, Nowak-Reppel, K, Neuhaus, R, Weiske, J, Quanz, M, Glasauer, A, Meyer, H, Queisser, N, Irlbacher, H, Bader, B, Rahm, F, Viklund, J, Andersson, M, Ericsson, U, Ginman, T, Forsblom, R, Lindstrom, J, Silvander, C, Tresaugues, L, Gorjanacz, M.
登録日2017-03-22
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.
ACS Chem. Biol., 12, 2017
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