6LJO
| African swine fever virus dUTPase | Descriptor: | E165R | Authors: | Liang, R, Peng, G.Q. | Deposit date: | 2019-12-17 | Release date: | 2020-11-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development. J.Biol.Chem., 296, 2020
|
|
8XV2
| Thiamine-bound human SLC19A3 | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Soluble cytochrome b562,Thiamine transporter 2 | Authors: | Dang, Y, Wang, G.P, Zhang, Z. | Deposit date: | 2024-01-14 | Release date: | 2024-03-27 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Substrate and drug recognition mechanisms of SLC19A3. Cell Res., 34, 2024
|
|
8XV5
| Pyridoxamine-bound human SLC19A3 | Descriptor: | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, Soluble cytochrome b562,Thiamine transporter 2 | Authors: | Dang, Y, Wang, G.P, Zhang, Z. | Deposit date: | 2024-01-14 | Release date: | 2024-03-27 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Substrate and drug recognition mechanisms of SLC19A3. Cell Res., 34, 2024
|
|
8XV9
| Fedratinib-bound human SLC19A3 | Descriptor: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Soluble cytochrome b562,Thiamine transporter 2 | Authors: | Dang, Y, Wang, G.P, Zhang, Z. | Deposit date: | 2024-01-14 | Release date: | 2024-03-27 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Substrate and drug recognition mechanisms of SLC19A3. Cell Res., 34, 2024
|
|
8X3S
| Crystal structure of human WDR5 in complex with PTEN | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5 | Authors: | Liu, Y, Huang, X, Shang, X. | Deposit date: | 2023-11-14 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif. Cell Death Dis, 15, 2024
|
|
8X3R
| Crystal structure of human WDR5 in complex with WDR5 | Descriptor: | WD repeat-containing protein 5 | Authors: | Liu, Y, Huang, X. | Deposit date: | 2023-11-14 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif. Cell Death Dis, 15, 2024
|
|
4N0N
| Crystal structure of Arterivirus nonstructural protein 10 (helicase) | Descriptor: | MAGNESIUM ION, Replicase polyprotein 1ab, SULFATE ION, ... | Authors: | Deng, Z, Chen, Z. | Deposit date: | 2013-10-02 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase. Nucleic Acids Res., 42, 2014
|
|
4N0O
| Complex structure of Arterivirus nonstructural protein 10 (helicase) with DNA | Descriptor: | CALCIUM ION, DNA, Replicase polyprotein 1ab, ... | Authors: | Deng, Z, Chen, Z. | Deposit date: | 2013-10-02 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase. Nucleic Acids Res., 42, 2014
|
|
4NRM
| |
6DNU
| |
6DNL
| Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the reduced form | Descriptor: | ACETATE ION, Thiol:disulfide interchange protein DsbD, ZINC ION | Authors: | Smith, R.P, Heras, B, Paxman, J.J. | Deposit date: | 2018-06-06 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens. J. Biol. Chem., 293, 2018
|
|
8ERA
| RMC-5552 in complex with mTORC1 and FKBP12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
|
|
8ER6
| FKBP12-FRB in Complex with Compound 11 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
|
|
8ER7
| FKBP12-FRB in Complex with Compound 12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
|
|
4WXR
| |
4WXP
| |
8JZF
| PSI-AcpPCI supercomplex from Symbiodinium | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Li, X.Y, Li, Z.H, Wang, W.D. | Deposit date: | 2023-07-05 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8JZE
| PSI-AcpPCI supercomplex from Symbiodinium | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Li, Z.H, Li, X.Y, Wang, W.D. | Deposit date: | 2023-07-05 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8JW0
| PSI-AcpPCI supercomplex from Amphidinium carterae | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Li, Z.H, Li, X.Y, Wang, W.D. | Deposit date: | 2023-06-28 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7BZB
| |
7BZC
| Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP) | Descriptor: | MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Terpenoid synthase 18 | Authors: | Li, J.X, Wang, G.D, Zhang, P. | Deposit date: | 2020-04-27 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases. Plant Commun., 1, 2020
|
|
3SHZ
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
|
|
3SHY
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.647 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
|
|
3SIE
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
|
|
8IHM
| Eaf3 CHD domain bound to the nucleosome | Descriptor: | Chromatin modification-related protein EAF3, DNA (164-MER), DNA (165-MER), ... | Authors: | Zhang, Y, Gang, C. | Deposit date: | 2023-02-23 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme. Cell Res., 33, 2023
|
|