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3KXF
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BU of 3kxf by Molmil
Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
著者Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
登録日2009-12-03
公開日2010-06-09
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 107, 2010
7F45
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BU of 7f45 by Molmil
Structure of an Anti-CRISPR protein
分子名称: AcrIF5
著者Feng, Y.
登録日2021-06-17
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献AcrIF5 specifically targets DNA-bound CRISPR-Cas surveillance complex for inhibition.
Nat.Chem.Biol., 18, 2022
7EQG
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BU of 7eqg by Molmil
Structure of Csy-AcrIF5
分子名称: AcrIF5, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
著者Zhang, L, Feng, Y.
登録日2021-05-01
公開日2022-03-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献AcrIF5 specifically targets DNA-bound CRISPR-Cas surveillance complex for inhibition.
Nat.Chem.Biol., 18, 2022
7F3M
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BU of 7f3m by Molmil
Crystal structure of FGFR4 kinase domain with PRN1371
分子名称: 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Qu, L.Z, Dai, S.Y, Wei, H.D, Chen, Y.H.
登録日2021-06-16
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
6K1P
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BU of 6k1p by Molmil
The complex of ISWI-nucleosome in the ADP.BeF-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ...
著者Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C.
登録日2019-05-10
公開日2019-05-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat.Struct.Mol.Biol., 26, 2019
6JYL
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BU of 6jyl by Molmil
The crosslinked complex of ISWI-nucleosome in the ADP.BeF-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ...
著者Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C.
登録日2019-04-26
公開日2019-05-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat.Struct.Mol.Biol., 26, 2019
3MGT
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BU of 3mgt by Molmil
Crystal structure of a H5-specific CTL epitope variant derived from H5N1 influenza virus in complex with HLA-A*0201
分子名称: 10-meric peptide from Hemagglutinin, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Sun, Y, Liu, J, Yang, M, Gao, F, Zhou, J, Kitamura, Y.
登録日2010-04-07
公開日2010-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Identification and structural definition of H5-specific CTL epitopes restricted by HLA-A*0201 derived from the H5N1 subtype of influenza A viruses
J.Gen.Virol., 91, 2010
7ENN
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BU of 7enn by Molmil
The structure of ALC1 bound to the nucleosome
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chromodomain-helicase-DNA-binding protein 1-like, ...
著者Chen, Z.C, Chen, K.J, Wang, L.
登録日2021-04-18
公開日2021-07-14
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of ALC1/CHD1L autoinhibition and the mechanism of activation by the nucleosome.
Nat Commun, 12, 2021
5U17
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BU of 5u17 by Molmil
Structure of human MR1-DA-6-FP in complex with human MAIT A-F7 TCR
分子名称: 2,4-diaminopteridine-6-carbaldehyde, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-11-28
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U2V
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BU of 5u2v by Molmil
Structure of human MR1-HMB in complex with human MAIT A-F7 TCR
分子名称: 2-hydroxy-5-methoxybenzaldehyde, Beta-2-microglobulin, GLYCEROL, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-12-01
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U16
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BU of 5u16 by Molmil
Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR
分子名称: 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ...
著者Keller, A.N, Birkinshaw, R.W, Rossjohn, J.
登録日2016-11-27
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5W0E
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BU of 5w0e by Molmil
CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)
分子名称: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, CREB-binding protein
著者Murray, J.M.
登録日2017-05-30
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
7FIA
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BU of 7fia by Molmil
Structure of AcrIF23
分子名称: AcrIF23
著者Ren, J, Yue, F.
登録日2021-07-30
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural and mechanistic insights into the inhibition of type I-F CRISPR-Cas system by anti-CRISPR protein AcrIF23.
J.Biol.Chem., 298, 2022
7F61
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BU of 7f61 by Molmil
Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746
分子名称: CHOLESTEROL, Histamine H3 receptor, N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide, ...
著者Peng, X, Zhang, H.
登録日2021-06-23
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for recognition of antihistamine drug by human histamine receptor.
Nat Commun, 13, 2022
7FAS
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BU of 7fas by Molmil
VAR2CSA 3D7 ectodomain core region
分子名称: Erythrocyte membrane protein 1, PfEMP1
著者Wang, L, Zhaoning, W.
登録日2021-07-07
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The molecular mechanism of cytoadherence to placental or tumor cells through VAR2CSA from Plasmodium falciparum.
Cell Discov, 7, 2021
1BG0
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BU of 1bg0 by Molmil
TRANSITION STATE STRUCTURE OF ARGININE KINASE
分子名称: ADENOSINE-5'-DIPHOSPHATE, ARGININE KINASE, D-ARGININE, ...
著者Zhou, G, Somasundaram, T, Blanc, E, Parthasarathy, G, Ellington, W.R, Chapman, M.S.
登録日1998-06-03
公開日1998-10-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Transition state structure of arginine kinase: implications for catalysis of bimolecular reactions.
Proc.Natl.Acad.Sci.USA, 95, 1998
6K81
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BU of 6k81 by Molmil
Crystal structure of human VASH1-SVBP complex
分子名称: Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
著者Liu, X, Wang, H, Zhang, Y, Feng, Y.
登録日2019-06-11
公開日2020-02-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural insights into tubulin detyrosination by vasohibins-SVBP complex.
Cell Discov, 5, 2019
7C2J
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BU of 7c2j by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)
分子名称: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
著者Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
登録日2020-05-07
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
7C2I
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BU of 7c2i by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization)
分子名称: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
著者Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
登録日2020-05-07
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
5JFR
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BU of 5jfr by Molmil
Potent, Reversible MetAP2 Inhibitors via Fragment Based Drug Discovery
分子名称: 1,2-ETHANEDIOL, 7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole, DIMETHYL SULFOXIDE, ...
著者Dougan, D.R, Lawson, J.D.
登録日2016-04-19
公開日2016-05-25
最終更新日2016-06-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2.
Bioorg.Med.Chem.Lett., 26, 2016
7DIY
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BU of 7diy by Molmil
Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain
分子名称: MAGNESIUM ION, ZINC ION, nsp10 protein, ...
著者Lin, S, Chen, H, Chen, Z.M, Yang, F.L, Ye, F, Zheng, Y, Yang, J, Lin, X, Sun, H.L, Wang, L.L, Wen, A, Cao, Y, Lu, G.W.
登録日2020-11-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-ExoN domain reveals an exoribonuclease with both structural and functional integrity.
Nucleic Acids Res., 49, 2021
6KU8
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BU of 6ku8 by Molmil
structure of HRV-C 3C protein with rupintrivir
分子名称: 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, Genome polyprotein
著者Zhu, L, Yuan, S.
登録日2019-08-31
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of the HRV-C 3C-Rupintrivir Complex Provides New Insights for Inhibitor Design.
Virol Sin, 35, 2020
6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
分子名称: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Niu, Y, Wang, H, Zhang, Y, Feng, Y.
登録日2019-09-18
公開日2020-09-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
6KU7
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BU of 6ku7 by Molmil
structure of HRV-C 3C protein
分子名称: Genome polyprotein
著者Zhu, L, Yuan, S.
登録日2019-08-31
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the HRV-C 3C-Rupintrivir Complex Provides New Insights for Inhibitor Design.
Virol Sin, 35, 2020
6AOG
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BU of 6aog by Molmil
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (pyrimethamine)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ...
著者Thomas, S.B, Li, Y, Chen, Z, Lu, H.
登録日2017-08-16
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published

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