8Q4A
| Outward-facing, open1 proteoliposome complex I at 2.6 A. Initially purified in LMNG. | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Grba, D.N, Hirst, J. | 登録日 | 2023-08-05 | 公開日 | 2024-06-05 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I. Science, 384, 2024
|
|
8Q0Q
| Outward-facing, slack proteoliposome complex I at 3.6 A. Initially purified in DDM | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Grba, D.N, Hirst, J. | 登録日 | 2023-07-28 | 公開日 | 2024-06-05 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I. Science, 384, 2024
|
|
7VDR
| The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13 | 分子名称: | (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ... | 著者 | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | 登録日 | 2021-09-07 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
|
|
1Z05
| Crystal structure of the ROK family transcriptional regulator, homolog of E.coli MLC protein. | 分子名称: | BETA-MERCAPTOETHANOL, GLYCEROL, SULFATE ION, ... | 著者 | Minasov, G, Brunzelle, J.S, Shuvalova, L, Collart, F.R, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2005-03-01 | 公開日 | 2005-03-08 | 最終更新日 | 2018-06-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the ROK family transcriptional regulator, homolog of E.coli MLC protein. To be Published
|
|
7VDP
| The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ... | 著者 | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | 登録日 | 2021-09-07 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
|
|
7BV2
| The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP) | 分子名称: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | 著者 | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | 登録日 | 2020-04-09 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir. Science, 368, 2020
|
|
7BV1
| Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | 著者 | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | 登録日 | 2020-04-09 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir. Science, 368, 2020
|
|
6Y2P
| |
3VI8
| Human PPAR alpha ligand binding domain in complex with a synthetic agonist APHM13 | 分子名称: | (2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha | 著者 | Oyama, T, Miyachi, H, Morikawa, K. | 登録日 | 2011-09-25 | 公開日 | 2012-08-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype J.Med.Chem., 55, 2012
|
|
7VGI
| |
3W0I
| Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands | 分子名称: | (2S)-3-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 Receptor | 著者 | Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H. | 登録日 | 2012-10-30 | 公開日 | 2013-10-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands. Febs Lett., 587, 2013
|
|
7VGJ
| Cryo-EM structure of the human P4-type flippase ATP8B1-CDC50A in the auto-inhibited E2Pi-PS state | 分子名称: | Cell cycle control protein 50A, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, Phospholipid-transporting ATPase IC | 著者 | Chen, M.T, Chen, Y, Chen, Z.P, Zhou, C.Z, Hou, W.T, Chen, Y. | 登録日 | 2021-09-16 | 公開日 | 2022-03-30 | 最終更新日 | 2022-10-12 | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | 主引用文献 | Structural insights into the activation of autoinhibited human lipid flippase ATP8B1 upon substrate binding. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7VGH
| |
5SZE
| Crystal structure of Aquifex aeolicus Hfq-RNA complex at 1.5A | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, DI(HYDROXYETHYL)ETHER, RNA (5'-R(P*UP*UP*U)-3'), ... | 著者 | Stanek, K, Patterson, J, Randolph, P.S, Mura, C. | 登録日 | 2016-08-13 | 公開日 | 2017-04-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure and RNA-binding properties of an Hfq homolog from the deep-branching Aquificae: conservation of the lateral RNA-binding mode. Acta Crystallogr D Struct Biol, 73, 2017
|
|
5SVH
| |
6YIM
| Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand | 分子名称: | (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, CREBBP | 著者 | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | 登録日 | 2020-04-01 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand To Be Published
|
|
8PX4
| Structure of the PAS domain code by the LIC_11128 gene from Leptospira interrogans serovar Copenhageni Fiocruz, solved at wavelength 3.09 A | 分子名称: | Diguanylate cyclase | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Guzzo, C.R, Owens, R.J, Wagner, A. | 登録日 | 2023-07-22 | 公開日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
|
|
7BZF
| COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ... | 著者 | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | 登録日 | 2020-04-27 | 公開日 | 2020-06-03 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | 主引用文献 | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase. Cell, 182, 2020
|
|
1RKG
| crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MbisP and a synthetic peptide containing the NR2 box of DRIP 205 | 分子名称: | 5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor | 著者 | Vanhooke, J.L, Benning, M.M, Bauer, C.B, Pike, J.W, DeLuca, H.F. | 登録日 | 2003-11-21 | 公開日 | 2004-04-13 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide Biochemistry, 43, 2004
|
|
7VHZ
| Crystal structure of EP300 HAT domain in complex with compound 7 | 分子名称: | (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2021-09-24 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
|
|
7VHY
| |
3V3E
| Crystal Structure of the Human Nur77 Ligand-binding Domain | 分子名称: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | 著者 | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | 登録日 | 2011-12-13 | 公開日 | 2012-09-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
|
|
7VI0
| Crystal structure of EP300 HAT domain in complex with compound 11 | 分子名称: | (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2021-09-24 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
|
|
7BTF
| SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | 著者 | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | 登録日 | 2020-04-01 | 公開日 | 2020-04-08 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Structure of the RNA-dependent RNA polymerase from COVID-19 virus. Science, 368, 2020
|
|
3GJ5
| |