5T2P
| Hepatitis B virus core protein Y132A mutant in complex with sulfamoylbenzamide (SBA_R01) | Descriptor: | 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide, CHLORIDE ION, Core protein, ... | Authors: | Zhou, Z, Xu, Z.H. | Deposit date: | 2016-08-24 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms. Sci Rep, 7, 2017
|
|
6ITA
| Crystal structure of intracellular B30.2 domain of BTN3A1 mutant | Descriptor: | Butyrophilin subfamily 3 member A1 | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-11-20 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
|
|
3E3R
| |
8KHU
| Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48 | Descriptor: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ... | Authors: | Zhou, Z, Xu, Z.H. | Deposit date: | 2023-08-22 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus. J.Med.Chem., 66, 2023
|
|
4I8B
| Crystal Structure of Thioredoxin from Schistosoma Japonicum | Descriptor: | Thioredoxin | Authors: | Wu, Q, Peng, Y, Zhao, J, Li, X, Fan, X, Zhou, X, Chen, J, Luo, Z, Shi, D. | Deposit date: | 2012-12-03 | Release date: | 2013-12-04 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Expression, characterization and crystal structure of thioredoxin from Schistosoma japonicum. Parasitology, 142, 2015
|
|
6IEV
| Crystal structure of a designed protein | Descriptor: | Designed protein | Authors: | Han, M, Liao, S, Chen, Q, Liu, H. | Deposit date: | 2018-09-17 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Selection and analyses of variants of a designed protein suggest importance of hydrophobicity of partially buried sidechains for protein stability at high temperatures. Protein Sci., 28, 2019
|
|
5GMZ
| Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | Descriptor: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2016-07-18 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors J.Med.Chem., 59, 2016
|
|
8W8D
| |
1SZK
| The structure of gamma-aminobutyrate aminotransferase mutant: E211S | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ... | Authors: | Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Fisher, A.J, Toney, M.D. | Deposit date: | 2004-04-05 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase. Biochemistry, 44, 2005
|
|
7YUI
| |
7YUJ
| Crystal structure of HOIL-1L(365-510) | Descriptor: | DI(HYDROXYETHYL)ETHER, RanBP-type and C3HC4-type zinc finger-containing protein 1, ZINC ION | Authors: | Xiao, L, Pan, L. | Deposit date: | 2022-08-17 | Release date: | 2023-08-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.865 Å) | Cite: | Mechanistic insights into the enzymatic activity of E3 ligase HOIL-1L and its regulation by the linear ubiquitin chain binding. Sci Adv, 9, 2023
|
|
3R9X
| Crystal structure of Era in complex with MgGDPNP, nucleotides 1506-1542 of 16S ribosomal RNA, and KsgA | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, GTPase Era, ... | Authors: | Tu, C, Ji, X. | Deposit date: | 2011-03-26 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Era GTPase recognizes the GAUCACCUCC sequence and binds helix 45 near the 3' end of 16S rRNA. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
3R9W
| |
8WZQ
| Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981 | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | Authors: | Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981. Biochem.Biophys.Res.Commun., 692, 2024
|
|
8WZP
| Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981 | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | Authors: | Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981. Biochem.Biophys.Res.Commun., 692, 2024
|
|
8WUL
| Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ... | Authors: | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | Deposit date: | 2023-10-20 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen. Commun Biol, 7, 2024
|
|
8WTE
| Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen (Fragment), ... | Authors: | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | Deposit date: | 2023-10-18 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen. Commun Biol, 7, 2024
|
|
6GWQ
| Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with an Inhibitory Nanobody (VHH-2g-42) | Descriptor: | Plasminogen Activator Inhibitor-1, VHH-2g-42 | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | Deposit date: | 2018-06-25 | Release date: | 2020-01-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction. J.Thromb.Haemost., 18, 2020
|
|
6GWP
| Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with Two Inhibitory Nanobodies (VHH-2g-42, VHH-2w-64) | Descriptor: | Plasminogen Activator Inhibitor-1, VHH-2g-42, VHH-2w-64 | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | Deposit date: | 2018-06-25 | Release date: | 2020-01-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction. J.Thromb.Haemost., 18, 2020
|
|
6GWN
| Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F) in Complex with Two Inhibitory Nanobodies (VHH-2g-42, VHH-2w-64) | Descriptor: | Plasminogen activator inhibitor 1, VHH-2g-42, VHH-2w-64 | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | Deposit date: | 2018-06-25 | Release date: | 2020-01-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction. J.Thromb.Haemost., 18, 2020
|
|
4XU6
| Crystal structure of cross-linked MvINS R77C trimer at 1.9A resolution | Descriptor: | N-TRIDECANOIC ACID, Uncharacterized protein, octyl beta-D-glucopyranoside | Authors: | Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N. | Deposit date: | 2015-01-25 | Release date: | 2015-10-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels Science, 349, 2015
|
|
5WTW
| |
5WRE
| Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | Descriptor: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | Authors: | Zhou, Z, Xu, Z.H. | Deposit date: | 2016-12-01 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms. Sci Rep, 7, 2017
|
|
7AMN
| Structure of LuxR with DNA (repression) | Descriptor: | DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR | Authors: | Liu, B, Reverter, D. | Deposit date: | 2020-10-09 | Release date: | 2021-03-31 | Last modified: | 2021-04-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
|
|
7AMT
| Structure of LuxR with DNA (activation) | Descriptor: | DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR | Authors: | Liu, B, Reverter, D. | Deposit date: | 2020-10-09 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
|
|