6GHS
 
 | | Modification dependent TagI restriction endonuclease | | 分子名称: | SODIUM ION, TagI restriction endonuclease, ZINC ION | | 著者 | Kisiala, M, Copelas, A, Czapinska, H, Xu, S, Bochtler, M. | | 登録日 | 2018-05-08 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Crystal structure of the modification-dependent SRA-HNH endonuclease TagI.
Nucleic Acids Res., 46, 2018
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6UKY
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12 | | 分子名称: | 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | 著者 | Lesburg, C.A. | | 登録日 | 2019-10-06 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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8W41
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8ACD
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | | 分子名称: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
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8ACL
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | | 分子名称: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
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8HQ3
 | | KL1 in complex with CRM1-Ran-RanBP1 | | 分子名称: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | | 著者 | Sun, Q, Jian, L. | | 登録日 | 2022-12-13 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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8HQ6
 | | KL2 in complex with CRM1-Ran-RanBP1 | | 分子名称: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | | 著者 | Sun, Q, Jian, L. | | 登録日 | 2022-12-13 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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4ZXD
 | | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD | | 分子名称: | Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | | 著者 | Liu, S, Su, T, Zhang, C, Gu, L. | | 登録日 | 2015-05-20 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.052 Å) | | 主引用文献 | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
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4ZXC
 | | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+ | | 分子名称: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | | 著者 | Liu, S, Su, T, Zhang, C, Gu, L. | | 登録日 | 2015-05-20 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
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7R7X
 | | Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, ... | | 著者 | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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7R7V
 | | Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 | | 分子名称: | Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ... | | 著者 | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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7R7W
 | | Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 S3T variant | | 分子名称: | Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, MHC class I antigen | | 著者 | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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7R80
 | | Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301 | | 分子名称: | Alpha chain of C3 TCR, Beta Chain of C3 TCR, Beta-2-microglobulin, ... | | 著者 | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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7R7Y
 | | Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 S3T variant | | 分子名称: | Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ... | | 著者 | Li, X.L, Ng, R, Tan, K.M, Walker, B.D, Wang, J.H. | | 登録日 | 2021-06-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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6OC1
 | | Crystal structure of human DHODH with TAK-632 | | 分子名称: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Durst, M.A, Lavie, A. | | 登録日 | 2019-03-21 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
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4ZXA
 | | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Cd2+ and 4-hydroxybenzonitrile | | 分子名称: | 4-hydroxybenzonitrile, CADMIUM ION, Hydroquinone dioxygenase large subunit, ... | | 著者 | Liu, S, Su, T, Zhang, C, Gu, L. | | 登録日 | 2015-05-20 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.488 Å) | | 主引用文献 | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
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3C45
 | | Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor | | 分子名称: | (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Scapin, G, Edmondson, S.D, Weber, A.E. | | 登録日 | 2008-01-29 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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1DC1
 | | RESTRICTION ENZYME BSOBI/DNA COMPLEX STRUCTURE: ENCIRCLEMENT OF THE DNA AND HISTIDINE-CATALYZED HYDROLYSIS WITHIN A CANONICAL RESTRICTION ENZYME FOLD | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, BSOBI RESTRICTION ENDONUCLEASE, DNA (5'-D(*T*AP*TP*AP*CP*TP*CP*GP*AP*GP*TP*AP*T)-3') | | 著者 | van der Woerd, M.J, Pelletier, J.J, Xu, S.-Y, Friedman, A.M. | | 登録日 | 1999-11-04 | | 公開日 | 2001-02-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Restriction enzyme BsoBI-DNA complex: a tunnel for recognition of degenerate DNA sequences and potential histidine catalysis.
Structure, 9, 2001
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6U2U
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8STY
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8STZ
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3LHJ
 | | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor. | | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide | | 著者 | Mohr, C, Jordan, S. | | 登録日 | 2010-01-22 | | 公開日 | 2010-04-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.
J.Med.Chem., 53, 2010
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8GWO
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | 分子名称: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWE
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP | | 分子名称: | Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ... | | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-16 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWB
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 | | 分子名称: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-16 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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