6YF1
 
 | | FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution | | 分子名称: | (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A | | 著者 | Kallen, J. | | 登録日 | 2020-03-25 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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6YF2
 | | FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution | | 分子名称: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Kallen, J. | | 登録日 | 2020-03-25 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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6YF0
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6YF3
 | | FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | | 分子名称: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Kallen, J. | | 登録日 | 2020-03-25 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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3BE9
 | | Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities | | 分子名称: | 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one, Casein kinase II subunit alpha | | 著者 | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Lu, J, Averill, A, Almassy, R, Chu, S. | | 登録日 | 2007-11-16 | | 公開日 | 2008-11-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities.
Bioorg.Med.Chem.Lett., 18, 2008
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4JK6
 | | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Aba) | | 分子名称: | 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | 著者 | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | | 登録日 | 2013-03-09 | | 公開日 | 2013-07-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
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6G4C
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7QJU
 | | EED in complex with PRC2 allosteric inhibitor compound 7 | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | 登録日 | 2021-12-17 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QJG
 | | EED in complex with PRC2 allosteric inhibitor compound 6 | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | 登録日 | 2021-12-16 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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8UTX
 | | Solution structure of a 12-mer peptide bearing a bicyclic Asx motif mimic (BAMM) as a synthetic N-cap | | 分子名称: | 1,3,5-tris(bromomethyl)benzene, TRP-CYS-ASP-ALA-ALA-CYS-CYS-ALA-ALA-ALA-LYS-ALA-NH2 peptide | | 著者 | Mi, T.X, Burgess, K. | | 登録日 | 2023-10-31 | | 公開日 | 2024-06-05 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Bioinformatics leading to conveniently accessible, helix enforcing, bicyclic ASX motif mimics (BAMMs).
Nat Commun, 15, 2024
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7QK4
 | | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | 登録日 | 2021-12-17 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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6BQB
 | | MGG4 Fab in complex with peptide | | 分子名称: | GLYCEROL, MGG4 Fab heavy chain, MGG4 Fab light chain, ... | | 著者 | Oyen, D, Tan, J, Lanzavecchia, A, Wilson, I.A. | | 登録日 | 2017-11-27 | | 公開日 | 2018-03-07 | | 最終更新日 | 2018-04-25 | | 実験手法 | X-RAY DIFFRACTION (1.769 Å) | | 主引用文献 | A public antibody lineage that potently inhibits malaria infection through dual binding to the circumsporozoite protein.
Nat. Med., 24, 2018
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4YGV
 | | Reversal Agent for Dabigatran | | 分子名称: | GLYCEROL, aDabi-Fab2a heavy chain, aDabi-Fab2a light chain | | 著者 | Schiele, F, Nar, H. | | 登録日 | 2015-02-26 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
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7BSI
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6BYJ
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5JN3
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7BQT
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5HH4
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6XKP
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ... | | 著者 | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | 登録日 | 2020-06-26 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
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7BQX
 | | Epstein-Barr virus, C5 portal vertex | | 分子名称: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | 著者 | Li, Z, Yu, X. | | 登録日 | 2020-03-25 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
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6BYK
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5H6I
 | | Crystal Structure of GBS CAMP Factor | | 分子名称: | CHLORIDE ION, Protein B, SULFATE ION | | 著者 | Jin, T.C, Brefo-Mensah, E.K. | | 登録日 | 2016-11-13 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal structure of theStreptococcus agalactiaeCAMP factor provides insights into its membrane-permeabilizing activity.
J.Biol.Chem., 293, 2018
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8IT4
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2YHT
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1ZMI
 | | Crystal structure of human alpha_defensin-2 (variant GLY16->D-ALA), P 32 2 1 space group ) | | 分子名称: | GLYCEROL, Neutrophil defensin 2, SULFATE ION | | 著者 | Lubkowski, J, Prahl, A, Lu, W. | | 登録日 | 2005-05-10 | | 公開日 | 2005-08-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
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