4G2Y
| Crystal structure of PDE5A complexed with its inhibitor | Descriptor: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
|
|
6YMW
| |
8JKD
| |
8JLW
| CCHFV envelope protein Gc in complex with Gc8 | Descriptor: | Glycoprotein C,CCHFV envelope protein Gc fusion loops, Mouse antibody Gc8 heavy chain, Mouse antibody Gc8 light chain | Authors: | Chong, T, Cao, S. | Deposit date: | 2023-06-03 | Release date: | 2024-01-24 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus. Plos Pathog., 20, 2024
|
|
8JLX
| CCHFV envelope protein Gc in complex with Gc13 | Descriptor: | Glycoprotein C,CCHFV Gc fusion loops, Mouse antibody Gc13 heavy chain, Mouse antibody Gc13 light chain | Authors: | Chong, T, Cao, S. | Deposit date: | 2023-06-03 | Release date: | 2024-01-24 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus. Plos Pathog., 20, 2024
|
|
2PE2
| |
5IL9
| Crystal structure of Deg9 | Descriptor: | GLYCEROL, Protease Do-like 9 | Authors: | Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X. | Deposit date: | 2016-03-04 | Release date: | 2017-03-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of Deg9 reveals a novel octameric-type HtrA protease Nat Plants, 3, 2017
|
|
8J5P
| Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 2,000lux | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ... | Authors: | Xu, X, Xin, J. | Deposit date: | 2023-04-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture. Elife, 12, 2023
|
|
8J5O
| Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 100lux | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ... | Authors: | Xu, X, Xin, J. | Deposit date: | 2023-04-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture. Elife, 12, 2023
|
|
5J3G
| |
5J3F
| NMR solution structure of [Rp, Rp]-PT dsDNA | Descriptor: | DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3') | Authors: | Lan, W, Hu, Z, Cao, C. | Deposit date: | 2016-03-30 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
|
|
5J3I
| NMR solution structure of [Sp, Sp]-PT dsDNA | Descriptor: | DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3') | Authors: | Lan, W, Hu, Z, Cao, C. | Deposit date: | 2016-03-30 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
|
|
5JYK
| Deg9 crystal under 289K | Descriptor: | GLYCEROL, Protease Do-like 9 | Authors: | Ouyang, M, Zhang, L.X. | Deposit date: | 2016-05-14 | Release date: | 2017-05-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | The crystal structure of Deg9 reveals a novel octameric-type HtrA protease Nat Plants, 3, 2017
|
|
8IJK
| human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | Descriptor: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | Authors: | Ma, D, Guo, J. | Deposit date: | 2023-02-27 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 2024
|
|
6IZQ
| PRMT4 bound with a bicyclic compound | Descriptor: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1 | Authors: | Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K. | Deposit date: | 2018-12-20 | Release date: | 2019-12-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia. J.Med.Chem., 62, 2019
|
|
7YZY
| pMMO structure from native membranes by cryoET and STA | Descriptor: | Methane monooxygenase subunit C2, Particulate methane monooxygenase alpha subunit, Particulate methane monooxygenase beta subunit | Authors: | Zhu, Y, Ni, T, Zhang, P. | Deposit date: | 2022-02-21 | Release date: | 2022-08-10 | Last modified: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structure and activity of particulate methane monooxygenase arrays in methanotrophs. Nat Commun, 13, 2022
|
|
3HHU
| Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819} | Descriptor: | Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2009-05-17 | Release date: | 2009-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Potent triazolothione inhibitor of heat-shock protein-90. Chem.Biol.Drug Des., 74, 2009
|
|
4EZ5
| CDK6 (monomeric) in complex with inhibitor | Descriptor: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | Authors: | Chopra, R, Xu, M. | Deposit date: | 2012-05-02 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
|
|
4R3M
| Crystal structure of Human Hsp90 with JR9 | Descriptor: | Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine | Authors: | Li, J, Yang, M, Ren, J, Xiong, B, He, J. | Deposit date: | 2014-08-16 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity. Org.Biomol.Chem., 13, 2015
|
|
8WIU
| Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-09-25 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis. Eur.J.Med.Chem., 265, 2023
|
|
4IA0
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4I9Z
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
|
|
5YOV
| Crystal structure of BRD4-BD1 bound with hjp126 | Descriptor: | (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide, Bromodomain-containing protein 4 | Authors: | Xiong, B, Hu, J, Li, Y, Cao, D. | Deposit date: | 2017-10-31 | Release date: | 2018-11-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Structure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups. Eur.J.Med.Chem., 150, 2018
|
|
5Z0S
| Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor | Descriptor: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1 | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-12-20 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors Molecules, 23, 2018
|
|
6AFR
| Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | Descriptor: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | Authors: | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | Deposit date: | 2018-08-08 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors Eur J Med Chem, 163, 2018
|
|