7AXL
 
 | | Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, Nuclear receptor subfamily 1 group I member 2, ... | | 著者 | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | | 登録日 | 2020-11-09 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXK
 | | Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, GLYCEROL, ... | | 著者 | Huet, T, Delfosse, V, Bourguet, W. | | 登録日 | 2020-11-09 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6GA4
 | | Bacteriorhodopsin, 1 ps state, real-space refined against 15% extrapolated map | | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | 著者 | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-24 | | 最終更新日 | 2019-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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6GAD
 | | BACTERIORHODOPSIN, 530 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | 著者 | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-24 | | 最終更新日 | 2019-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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8DU4
 | | Complex between RbBP5-WDR5 and an H2B-ubiquitinated nucleosome | | 分子名称: | 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | | 著者 | Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C. | | 登録日 | 2022-07-26 | | 公開日 | 2022-09-21 | | 最終更新日 | 2022-10-05 | | 実験手法 | ELECTRON MICROSCOPY (3.55 Å) | | 主引用文献 | Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7AXI
 | | Crystal structure of the hPXR-LBD in complex with estradiol and cis-chlordane | | 分子名称: | (+)cis-chlordane, (-)cis-chlordane, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | 著者 | Huet, T, Delfosse, V, Bourguet, W. | | 登録日 | 2020-11-09 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MTQ
 | | CryoEM Structure of Full-Length mGlu2 in Inactive-State Bound to Antagonist LY341495 | | 分子名称: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | | 著者 | Seven, A.B, Barros-Alvarez, X, Skiniotis, G. | | 登録日 | 2021-05-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | | 主引用文献 | G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
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7MTR
 | | CryoEM Structure of Full-Length mGlu2 Bound to Ago-PAM ADX55164 and Glutamate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine, GLUTAMIC ACID, ... | | 著者 | Seven, A.B, Barros-Alvarez, X, Skiniotis, G. | | 登録日 | 2021-05-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2021-09-08 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
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7MTS
 | | CryoEM Structure of mGlu2 - Gi Complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine, GLUTAMIC ACID, ... | | 著者 | Seven, A.B, Barros-Alvarez, X, Skiniotis, G. | | 登録日 | 2021-05-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
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3OMN
 | | Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with D132A mutation in the reduced state | | 分子名称: | (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ... | | 著者 | Liu, J, Qin, L, Ferguson-Miller, S. | | 登録日 | 2010-08-27 | | 公開日 | 2011-02-02 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump.
Proc.Natl.Acad.Sci.USA, 108, 2011
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6AWV
 | | Ara h 8.01 in complex with epicatechin | | 分子名称: | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, Ara h 8 allergen, BENZOIC ACID, ... | | 著者 | Offermann, L.R, Perdue, M, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. | | 登録日 | 2017-09-06 | | 公開日 | 2018-09-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structure of PR-10 Allergen Ara h 8.01.
To Be Published
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3ZPU
 | | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | | 分子名称: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | 著者 | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | | 登録日 | 2013-03-01 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
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6DF1
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3PL9
 | | Crystal structure of spinach minor light-harvesting complex CP29 at 2.80 angstrom resolution | | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | 著者 | Pan, X.W, Li, M, Wan, T, Wang, L.F, Jia, C.J, Hou, Z.Q, Zhao, X.L, Zhang, J.P, Chang, W.R. | | 登録日 | 2010-11-14 | | 公開日 | 2011-02-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural insights into energy regulation of light-harvesting complex CP29 from spinach.
Nat.Struct.Mol.Biol., 18, 2011
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7AXC
 | | Crystal structure of the hPXR-LBD in complex with ferutinine | | 分子名称: | GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | | 著者 | Granell, M, Delfosse, V, Bourguet, W. | | 登録日 | 2020-11-09 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXJ
 | | Crystal structure of the hPXR-LBD in complex with estradiol and clotrimazole | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, ESTRADIOL, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | | 登録日 | 2020-11-09 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6B4S
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6G1M
 | | Amine Dehydrogenase from Petrotoga mobilis; open and closed form | | 分子名称: | Dihydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | | 著者 | Beloti, L, Frese, A, Mayol, O, Vaxelaire-Vergne, C, Grogan, G. | | 登録日 | 2018-03-21 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | A family of native amine dehydrogenases for the asymmetric reductive amination of ketones
Nat Catal, 2019
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2PDN
 | | Human aldose reductase mutant S302R complexed with uracil-type inhibitor. | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID | | 著者 | Steuber, H, Heine, A, Klebe, G. | | 登録日 | 2007-04-01 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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2PD9
 | | Human aldose reductase mutant V47I complexed with fidarestat. | | 分子名称: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Steuber, H, Heine, A, Klebe, G. | | 登録日 | 2007-03-31 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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2PDF
 | | Human aldose reductase mutant L300P complexed with zopolrestat. | | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Steuber, H, Heine, A, Klebe, G. | | 登録日 | 2007-03-31 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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6GA2
 | | Bacteriorhodopsin, dark state, cell 2 | | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | 著者 | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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6GA9
 | | BACTERIORHODOPSIN, 390 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | 著者 | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-24 | | 最終更新日 | 2019-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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2PDI
 | | Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A. | | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Steuber, H, Heine, A, Klebe, G. | | 登録日 | 2007-04-01 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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2PDY
 | | Human aldose reductase double mutant S302R-C303D complexed with fidarestat. | | 分子名称: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Steuber, H, Heine, A, Klebe, G. | | 登録日 | 2007-04-01 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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