5VGO
| Bruton's tyrosine kinase (BTK) with compound G-744 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one, GLYCEROL, ... | Authors: | Yu, C, Eigenbrot, C. | Deposit date: | 2017-04-11 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.621 Å) | Cite: | Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties. ACS Med Chem Lett, 8, 2017
|
|
6LNQ
| The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7 | Descriptor: | N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide, Severe Acute Respiratory Syndrome Coronavirus 3c Like Protease | Authors: | Wang, H, Shang, L.Q. | Deposit date: | 2020-01-01 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.244 Å) | Cite: | Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease. Acs Catalysis, 10, 2020
|
|
6LO0
| |
6LNY
| |
6YXJ
| |
5GV2
| |
7CL1
| Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
|
|
7CL0
| Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
|
|
8IGO
| Crystal structure of apo SARS-CoV-2 main protease | Descriptor: | 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
|
|
8IGN
| Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
|
|
8IJ1
| Protomer 1 and 2 of the asymmetry trimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complex | Descriptor: | Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ... | Authors: | Dai, Z, Liang, L, Yin, Y.X. | Deposit date: | 2023-02-24 | Release date: | 2024-02-28 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase. Embo J., 43, 2024
|
|
8JE1
| An asymmetry dimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complexed with BEX2 | Descriptor: | Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ... | Authors: | Dai, Z, Liang, L, Yin, Y.X. | Deposit date: | 2023-05-15 | Release date: | 2024-02-28 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase. Embo J., 43, 2024
|
|
8JE2
| Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN | Descriptor: | Cullin-2, Elongin-B, Elongin-C, ... | Authors: | Dai, Z, Liang, L, Yin, Y.X. | Deposit date: | 2023-05-15 | Release date: | 2024-02-28 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase. Embo J., 43, 2024
|
|
4K18
| Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide | Descriptor: | 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | Deposit date: | 2013-04-04 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4K0Y
| Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | Descriptor: | N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | Deposit date: | 2013-04-04 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4K1B
| Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | Descriptor: | N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | Deposit date: | 2013-04-04 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.082 Å) | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design. Bioorg.Med.Chem.Lett., 23, 2013
|
|
6LJ9
| |
6LJB
| |
7V1R
| Leifsonia Alcohol Dehydrogenases LnADH | Descriptor: | Alcohol Dehydrogenases, ISOPROPYL ALCOHOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Song, Y, Qu, X. | Deposit date: | 2021-08-05 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Engineering Leifsonia Alcohol Dehydrogenase for Thermostability and Catalytic Efficiency by Enhancing Subunit Interactions. Chembiochem, 22, 2021
|
|
7V1Q
| Leifsonia Alcohol Dehydrogenases LnADH | Descriptor: | Alcohol Dehydrogenases, ISOPROPYL ALCOHOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Song, Y, Qu, X. | Deposit date: | 2021-08-05 | Release date: | 2021-12-29 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Engineering Leifsonia Alcohol Dehydrogenase for Thermostability and Catalytic Efficiency by Enhancing Subunit Interactions. Chembiochem, 22, 2021
|
|
5YK3
| human Ragulator complex | Descriptor: | Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ... | Authors: | Wu, G, Mu, Z. | Deposit date: | 2017-10-12 | Release date: | 2019-01-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural insight into the Ragulator complex which anchors mTORC1 to the lysosomal membrane Cell Discov, 3, 2017
|
|
5Y2F
| Human SIRT6 in complex with allosteric activator MDL-801 | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhang, J, Huang, Z, Song, K. | Deposit date: | 2017-07-25 | Release date: | 2018-11-07 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification of a cellularly active SIRT6 allosteric activator. Nat. Chem. Biol., 14, 2018
|
|
5YK5
| structure of the human Lamtor4-Lamtor5 complex | Descriptor: | Ragulator complex protein LAMTOR4, Ragulator complex protein LAMTOR5 | Authors: | Wu, G, Mu, Z. | Deposit date: | 2017-10-12 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural insight into the Ragulator complex which anchors mTORC1 to the lysosomal membrane Cell Discov, 3, 2017
|
|
7DHJ
| The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase | Authors: | Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X. | Deposit date: | 2020-11-15 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate. Eur.J.Med.Chem., 238, 2022
|
|
8IK0
| |