3DK1
| Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0105A | 分子名称: | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | 著者 | Wang, Y.F, Weber, I.T. | 登録日 | 2008-06-24 | 公開日 | 2009-05-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein-ligand X-ray studies Org.Biomol.Chem., 6, 2008
|
|
4QP3
| |
4QP7
| |
4QP4
| |
4QPA
| |
4IA7
| Diastereotopic and Deuterium Effects in Gemini | 分子名称: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | 著者 | Maehr, H, Rochel, N, Suh, N, Uskokovic, M. | 登録日 | 2012-12-06 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Diastereotopic and deuterium effects in gemini. J.Med.Chem., 56, 2013
|
|
4IA1
| Diastereotopic and Deuterium Effects in Gemini | 分子名称: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | 著者 | Maehr, H, Rochel, N, Suh, N, Uskokovic, M. | 登録日 | 2012-12-06 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Diastereotopic and deuterium effects in gemini. J.Med.Chem., 56, 2013
|
|
7B3D
| Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with AMP at position -4 (structure 3) | 分子名称: | RNA (5'-R(P*CP*UP*AP*CP*GP*CP*AP*GP*UP*G)-3'), RNA (5'-R(P*UP*GP*CP*AP*CP*UP*GP*CP*GP*UP*AP*G)-3'), SARS-CoV-2 RNA-dependent RNA polymerase nsp12, ... | 著者 | Kokic, G, Hillen, H.S, Tegunov, D, Dienemann, C, Seitz, F, Schmitzova, J, Farnung, L, Siewert, A, Hoebartner, C, Cramer, P. | 登録日 | 2020-11-30 | 公開日 | 2020-12-23 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Mechanism of SARS-CoV-2 polymerase stalling by remdesivir. Nat Commun, 12, 2021
|
|
4NED
| Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | 著者 | Gautam, L, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2013-10-29 | 公開日 | 2013-12-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION To be Published
|
|
7AS4
| Recombinant human gTuRC | 分子名称: | Actin, cytoplasmic 1, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Serna, M, Fernandez-Leiro, R, Llorca, O. | 登録日 | 2020-10-26 | 公開日 | 2021-01-20 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (4.13 Å) | 主引用文献 | Assembly of the asymmetric human gamma-tubulin ring complex by RUVBL1-RUVBL2 AAA ATPase. Sci Adv, 6, 2020
|
|
4RW6
| Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor | 分子名称: | (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2014-12-01 | 公開日 | 2015-04-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.631 Å) | 主引用文献 | Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
|
|
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
|
|
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
|
|
3BPN
| Crystal structure of the IL4-IL4R-IL13Ra ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-13 receptor alpha-1 chain, Interleukin-4, ... | 著者 | Garcia, K.C. | 登録日 | 2007-12-18 | 公開日 | 2008-02-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System. Cell(Cambridge,Mass.), 132, 2008
|
|
4RW9
| Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor | 分子名称: | (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2014-12-01 | 公開日 | 2015-04-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.986 Å) | 主引用文献 | Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
|
|
7AHJ
| Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar | 分子名称: | 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator-activated receptor gamma | 著者 | Schoenmakers, E, Schwabe, B.T.W, Fairall, L, Chatterjee, K, Schwabe, J.W.R. | 登録日 | 2020-09-24 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar To Be Published
|
|
7AXB
| Crystal structure of the hPXR-LBD in complex with endosulfan | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Nuclear receptor subfamily 1 group I member 2, ... | 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 (2.55 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
|
|
7AXG
| Crystal structure of the hPXR-LBD in complex with tributyltin | 分子名称: | Nuclear receptor subfamily 1 group I member 2, tributylstannanyl | 著者 | Delfosse, V, Huet, T, 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 (2.7 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
|
|
7AX9
| Crystal structure of the hPXR-LBD in complex with cis-chlordane | 分子名称: | (+)cis-chlordane, GLYCEROL, ISOPROPYL ALCOHOL, ... | 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 (2.25 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
|
|
7AXH
| Crystal structure of the hPXR-LBD in complex with alpha-zearalanol | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | 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 (2.55 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
|
|
3BPL
| Crystal structure of the IL4-IL4R-Common Gamma ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Garcia, K.C. | 登録日 | 2007-12-18 | 公開日 | 2008-02-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System. Cell(Cambridge,Mass.), 132, 2008
|
|
7AX8
| |
7AXE
| Crystal structure of the hPXR-LBD in complex with oxadiazon | 分子名称: | GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | 著者 | Harrus, D, 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 (1.9 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
|
|
7AXD
| |
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
|
|