3VPO
 
 | | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | | 分子名称: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | | 著者 | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | | 登録日 | 2012-03-05 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Essential role of E106 in the proton-coupled electron transfer in human
to be published
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3VPN
 | | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | | 分子名称: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | | 著者 | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | | 登録日 | 2012-03-05 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Essential role of E106 in the proton-coupled electron transfer in human
to be published
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3VPM
 | | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | | 分子名称: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | | 著者 | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | | 登録日 | 2012-03-05 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit
To be Published
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7EXS
 | | Thermomicrobium roseum sarcosine oxidase mutant - S320R | | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Xin, Y, Shen, C, Tang, M.W, Shi, Y, Guo, Z.T, Gu, Z.H, Shao, J, Zhang, L. | | 登録日 | 2021-05-28 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Recreating the natural evolutionary trend in key microdomains provides an effective strategy for engineering of a thermomicrobial N-demethylase.
J.Biol.Chem., 298, 2022
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7QZ8
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7QZ7
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7QZ9
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7QZ6
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7QZ5
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3K3J
 | | P38alpha bound to novel DFG-out compound PF-00416121 | | 分子名称: | 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | 著者 | Kazmirski, S.L, DiNitto, J.P. | | 登録日 | 2009-10-02 | | 公開日 | 2009-11-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.995 Å) | | 主引用文献 | The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009
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5TH7
 | | Complex of SETD8 with MS453 | | 分子名称: | 1,2-ETHANEDIOL, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, N-lysine methyltransferase KMT5A, ... | | 著者 | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-29 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
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5V9L
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5V9O
 | | KRAS G12C inhibitor | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Westover, K, Lu, J. | | 登録日 | 2017-03-23 | | 公開日 | 2017-08-23 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
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3DY7
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | 分子名称: | (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Ohren, J.F, Pavlovsky, A, Zhang, E. | | 登録日 | 2008-07-25 | | 公開日 | 2009-06-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
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3DV3
 | | MEK1 with PF-04622664 Bound | | 分子名称: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Kazmirski, S.L, Kothe, M, Ding, Y.-H. | | 登録日 | 2008-07-18 | | 公開日 | 2009-07-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
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3K3I
 | | p38alpha bound to novel DGF-out compound PF-00215955 | | 分子名称: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | 著者 | Kazmirski, S.L, DiNitto, J.P. | | 登録日 | 2009-10-02 | | 公開日 | 2009-11-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
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7KIY
 | | Plasmodium falciparum RhopH complex in soluble form | | 分子名称: | Cytoadherence linked asexual protein 3, High molecular weight rhoptry protein 3, High molecular weight rhoptry protein-2 | | 著者 | Schureck, M.A, Darling, J.E, Merk, A, Subramaniam, S, Desai, S.A. | | 登録日 | 2020-10-25 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | | 主引用文献 | Malaria parasites use a soluble RhopH complex for erythrocyte invasion and an integral form for nutrient uptake.
Elife, 10, 2021
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5T5G
 | | human SETD8 in complex with MS2177 | | 分子名称: | 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | | 著者 | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-08-30 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
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3U6K
 | | Ef-tu (escherichia coli) in complex with nvp-ldk733 | | 分子名称: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Palestrant, D.J. | | 登録日 | 2011-10-12 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids.
J.Med.Chem., 54, 2011
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3U2Q
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3U6B
 | | Ef-tu (escherichia coli) in complex with nvp-ldi028 | | 分子名称: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Palestrant, D.J. | | 登録日 | 2011-10-12 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids.
J.Med.Chem., 54, 2011
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8UAC
 | | CATHEPSIN L IN COMPLEX WITH AC1115 | | 分子名称: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | 著者 | Chao, A, DuPrez, K.T, Han, F.Q. | | 登録日 | 2023-09-20 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
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8UAB
 | | SARS-CoV-2 main protease (Mpro) complex with AC1115 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | 著者 | DuPrez, K.T, Chao, A, Han, F.Q. | | 登録日 | 2023-09-20 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.781 Å) | | 主引用文献 | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19
Med, 5, 2024
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4I16
 | | Crystal structure of CARMA1 CARD | | 分子名称: | Caspase recruitment domain-containing protein 11, SULFATE ION | | 著者 | Li, S, Yang, X, Shen, Y. | | 登録日 | 2012-11-20 | | 公開日 | 2012-12-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | | 主引用文献 | Structural insights into the assembly of CARMA1 and BCL10
Plos One, 7, 2012
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7CWO
 | | SARS-CoV-2 spike protein RBD and P17 fab complex | | 分子名称: | Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab | | 著者 | Wang, X, Wang, N. | | 登録日 | 2020-08-29 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
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