8FNM
 
 | | Structure of G140A/Q148K HIV-1 intasome with Dolutegravir bound | | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | | 著者 | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | 登録日 | 2022-12-27 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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8FNQ
 | | Structure of E138K/G140A/Q148K HIV-1 intasome with 4d bound | | 分子名称: | 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide, DNA (25-MER), DNA (27-MER), ... | | 著者 | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | 登録日 | 2022-12-28 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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8FND
 | | Structure of E138K HIV-1 intasome with Dolutegravir bound | | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | | 著者 | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | 登録日 | 2022-12-27 | | 公開日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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8FNO
 | | Structure of E138K/G140A/Q148R HIV-1 intasome with Dolutegravir bound | | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | | 著者 | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | 登録日 | 2022-12-28 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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8FNH
 | | Structure of Q148K HIV-1 intasome with Dolutegravir bound | | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | | 著者 | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | 登録日 | 2022-12-27 | | 公開日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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8FNP
 | | Structure of E138K/G140S/Q148H HIV-1 intasome with Dolutegravir bound | | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | | 著者 | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | 登録日 | 2022-12-28 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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1DZ6
 | | ferrous p450cam from pseudomonas putida | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | | 著者 | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | | 登録日 | 2000-02-18 | | 公開日 | 2000-03-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
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1DZ8
 | | oxygen complex of p450cam from pseudomonas putida | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | | 著者 | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | | 登録日 | 2000-02-18 | | 公開日 | 2000-03-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
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1XDG
 | | X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution | | 分子名称: | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3 ,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE, Integrin alpha-L, MAGNESIUM ION | | 著者 | Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J. | | 登録日 | 2004-09-06 | | 公開日 | 2004-09-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Improved lymphocyte function-associated antigen-1 (LFA-1) inhibition by statin derivatives: molecular basis determined by x-ray analysis and monitoring of LFA-1 conformational changes in vitro and ex vivo
J.Biol.Chem., 279, 2004
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6Z0S
 | | Allostery through DNA drives phenotype switching | | 分子名称: | comG promoter DNA - strand A, comG promoter DNA - strand B | | 著者 | Rosenblum, G, Elad, N, Rozenberg, H, Wiggers, F, Jungwirth, J, Hofmann, H. | | 登録日 | 2020-05-11 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | | 主引用文献 | Allostery through DNA drives phenotype switching.
Nat Commun, 12, 2021
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5DH3
 | | Crystal structure of MST2 in complex with XMU-MP-1 | | 分子名称: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ... | | 著者 | Kong, L.L, Yun, C.H. | | 登録日 | 2015-08-29 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.468 Å) | | 主引用文献 | Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
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5D0Q
 | | BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex | | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ... | | 著者 | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | | 登録日 | 2015-08-03 | | 公開日 | 2016-03-09 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
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6QNG
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5DIG
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol | | 分子名称: | (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-01 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DKE
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-naphthyl-substituted, methyl, cis-diaryl-ethylene compound 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol | | 分子名称: | 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-03 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DL4
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted, methyl, triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol | | 分子名称: | 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-04 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DYD
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol | | 分子名称: | 4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-24 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.485 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DZ3
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol | | 分子名称: | 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-25 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5E1C
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate | | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-29 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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6QZU
 | | Getah virus macro domain | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Non-structural polyprotein | | 著者 | Ferreira Ramos, A.S, Sulzenbacher, G, Coutard, B. | | 登録日 | 2019-03-12 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
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4IMR
 | | Crystal structure of 3-oxoacyl (acyl-carrier-protein) reductase (target EFI-506442) from agrobacterium tumefaciens C58 with NADP bound | | 分子名称: | 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UNKNOWN LIGAND | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2013-01-03 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Crystal Structure of 3-Oxoacyl (Acyl-Carrier-Protein) Reductase Atu5465 from Agrobacterium Tumefaciens
To be Published
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4IBT
 | | Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R | | 分子名称: | Cellular tumor antigen p53, ZINC ION | | 著者 | Diskin-Posner, Y, Eldar, A, Rozenberg, H, Shakked, Z. | | 登録日 | 2012-12-09 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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5DTV
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dimethyl-substituted, 3,4-diarylthiophene dioxide core ligand | | 分子名称: | 3,4-bis(4-hydroxy-2-methylphenyl)-1H-1lambda~6~-thiophene-1,1-dione, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-18 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.295 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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6BNH
 | | Solution NMR structures of BRD4 ET domain with JMJD6 peptide | | 分子名称: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Bromodomain-containing protein 4 | | 著者 | Konuma, T, Yu, D, Zhao, C, Ju, Y, Sharma, R, Ren, C, Zhang, Q, Zhou, M.-M, Zeng, L. | | 登録日 | 2017-11-16 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4.
Sci Rep, 7, 2017
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6R0T
 | | Getah virus macro domain in complex with ADPr in open conformation | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Non-structural polyprotein, ... | | 著者 | Ferreira Ramos, A.S, Sulzenbacher, G, Coutard, B. | | 登録日 | 2019-03-13 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
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