8KD5
 
 | | Rpd3S in complex with nucleosome with H3K36MLA modification and 187bp DNA, class2 | | Descriptor: | 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ... | | Authors: | Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Chang, X, Chao, W.C.H, He, J. | | Deposit date: | 2023-08-09 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
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8KD7
 | | Rpd3S in complex with nucleosome with H3K36MLA modification and 167bp DNA | | Descriptor: | 167bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ... | | Authors: | Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Chang, X, Chao, W.C.H, He, J. | | Deposit date: | 2023-08-09 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
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7BT5
 | | Crystal structure of plasmodium LysRS complexing with an antitumor compound | | Descriptor: | LYSINE, Lysine--tRNA ligase, N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | | Authors: | Zhou, J, Wang, J, Fang, P. | | Deposit date: | 2020-03-31 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Inhibition of Plasmodium falciparum Lysyl-tRNA synthetase via an anaplastic lymphoma kinase inhibitor.
Nucleic Acids Res., 48, 2020
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4FLH
 | | Crystal structure of human PI3K-gamma in complex with AMG511 | | Descriptor: | 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-06-14 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
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4UX5
 | | Structure of DNA complex of PCG2 | | Descriptor: | 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1 | | Authors: | Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y. | | Deposit date: | 2014-08-19 | | Release date: | 2015-01-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
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4F1S
 | | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | | Descriptor: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-05-07 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.
Bioorg.Med.Chem.Lett., 22, 2012
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6XA4
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241 | | Descriptor: | 3C-like proteinase, GLYCEROL, inhibitor UAW241 | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6XBG
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246 | | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6K7P
 | | Crystal structure of human AFF4-THD domain | | Descriptor: | AF4/FMR2 family member 4 | | Authors: | Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S. | | Deposit date: | 2019-06-08 | | Release date: | 2020-03-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription.
Cell Discov, 6, 2020
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6XBI
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6XFN
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243 | | Descriptor: | 3C-like proteinase, GLYCEROL, UAW243 | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-15 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6XBH
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247 | | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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8QZ3
 | | Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb67) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nanobody 67, POTASSIUM ION, ... | | Authors: | Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
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3QK0
 | | Crystal structure of PI3K-gamma in complex with benzothiazole 82 | | Descriptor: | N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-01-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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3QJZ
 | | Crystal structure of PI3K-gamma in complex with benzothiazole 1 | | Descriptor: | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-01-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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6J0B
 | | Cryo-EM Structure of an Extracellular Contractile Injection System, PVC sheath-tube complex in extended state | | Descriptor: | Pvc1, Pvc2 | | Authors: | Jiang, F, Li, N, Wang, X, Cheng, J, Huang, Y, Yang, Y, Yang, J, Cai, B, Wang, Y, Jin, Q, Gao, N. | | Deposit date: | 2018-12-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM Structure and Assembly of an Extracellular Contractile Injection System.
Cell, 177, 2019
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6J0C
 | | Cryo-EM Structure of an Extracellular Contractile Injection System, PVC sheath complex in contracted state | | Descriptor: | Pvc2 | | Authors: | Jiang, F, Li, N, Wang, X, Cheng, J, Huang, Y, Yang, Y, Yang, J, Cai, B, Wang, Y, Jin, Q, Gao, N. | | Deposit date: | 2018-12-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM Structure and Assembly of an Extracellular Contractile Injection System.
Cell, 177, 2019
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6J0F
 | | Cryo-EM Structure of an Extracellular Contractile Injection System, PVC sheath/tube terminator in extended state | | Descriptor: | Pvc1, Pvc16 | | Authors: | Jiang, F, Li, N, Wang, X, Cheng, J, Huang, Y, Yang, Y, Yang, J, Cai, B, Wang, Y, Jin, Q, Gao, N. | | Deposit date: | 2018-12-24 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM Structure and Assembly of an Extracellular Contractile Injection System.
Cell, 177, 2019
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6J0M
 | | Cryo-EM Structure of an Extracellular Contractile Injection System, PVC baseplate in extended state (reconstructed with C3 symmetry) | | Descriptor: | Pvc8 | | Authors: | Jiang, F, Li, N, Wang, X, Cheng, J, Huang, Y, Yang, Y, Yang, J, Cai, B, Wang, Y, Jin, Q, Gao, N. | | Deposit date: | 2018-12-24 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM Structure and Assembly of an Extracellular Contractile Injection System.
Cell, 177, 2019
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6J0N
 | | Cryo-EM Structure of an Extracellular Contractile Injection System, baseplate in extended state, refined in C6 symmetry | | Descriptor: | Pvc1, Pvc11, Pvc12, ... | | Authors: | Jiang, F, Li, N, Wang, X, Cheng, J, Huang, Y, Yang, Y, Yang, J, Cai, B, Wang, Y, Jin, Q, Gao, N. | | Deposit date: | 2018-12-25 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM Structure and Assembly of an Extracellular Contractile Injection System.
Cell, 177, 2019
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6LU5
 | | Crystal structure of BPTF-BRD with ligand DCBPin5 bound | | Descriptor: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | | Deposit date: | 2020-01-25 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.86527729 Å) | | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
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6LU6
 | | Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound | | Descriptor: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | | Deposit date: | 2020-01-26 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.970063 Å) | | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
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4ZYN
 | | Crystal Structure of Parkin E3 ubiquitin ligase (linker deletion; delta 86-130) | | Descriptor: | E3 ubiquitin-protein ligase parkin, SULFATE ION, ZINC ION | | Authors: | Lilov, A, Sauve, V, Trempe, J.F, Rodionov, D, Wang, J, Gehring, K. | | Deposit date: | 2015-05-21 | | Release date: | 2015-08-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | A Ubl/ubiquitin switch in the activation of Parkin.
Embo J., 34, 2015
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6PET
 | | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | | Deposit date: | 2019-06-20 | | Release date: | 2019-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
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3J9B
 | | Electron cryo-microscopy of an RNA polymerase | | Descriptor: | Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ... | | Authors: | Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F. | | Deposit date: | 2014-12-16 | | Release date: | 2015-02-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution.
Mol.Cell, 2015
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