7BZ8
 
 | | Template lasso peptide C24 mutant V3A | | 分子名称: | lasso peptide | | 著者 | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | | 登録日 | 2020-04-27 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
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7BZ9
 | | Template lasso peptide C24 mutant I4A | | 分子名称: | lasso peptide | | 著者 | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | | 登録日 | 2020-04-27 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
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4ZPE
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4ZPF
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3WD5
 | | Crystal structure of TNFalpha in complex with Adalimumab Fab fragment | | 分子名称: | Adalimumab Heavy Chain, Adalimumab Light Chain, Tumor necrosis factor | | 著者 | Hu, S, Liang, S.Y, Guo, Y.J, Lou, Z.Y. | | 登録日 | 2013-06-06 | | 公開日 | 2013-08-14 | | 最終更新日 | 2015-07-01 | | 実験手法 | X-RAY DIFFRACTION (3.101 Å) | | 主引用文献 | Comparison of the inhibition mechanisms of adalimumab and infliximab in treating tumor necrosis factor alpha-associated diseases from a molecular view
J.Biol.Chem., 288, 2013
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3G36
 | | Crystal structure of the human DPY-30-like C-terminal domain | | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | 著者 | Wang, X, Lou, Z, Bartlam, M, Rao, Z. | | 登録日 | 2009-02-02 | | 公開日 | 2009-06-30 | | 最終更新日 | 2021-11-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the C-terminal domain of human DPY-30-like protein: A component of the histone methyltransferase complex
J.Mol.Biol., 390, 2009
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3DBF
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562 | | 分子名称: | 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide, Polo-like kinase | | 著者 | Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J. | | 登録日 | 2008-05-31 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3LON
 | | HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir | | 分子名称: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ... | | 著者 | Prongay, A.J. | | 登録日 | 2010-02-04 | | 公開日 | 2011-01-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
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8F6R
 | | CryoEM structure of designed modular protein oligomer C6-79 | | 分子名称: | De novo designed oligomeric protein C6-79 | | 著者 | Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G. | | 登録日 | 2022-11-17 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies.
Cell, 2024
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7CU6
 | | lasso peptide C24 mutant - A11V2C | | 分子名称: | lasso peptide C24_A11V2C | | 著者 | Ma, M, Liu, X.H. | | 登録日 | 2020-08-21 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
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8FAR
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5Q0D
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0F
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0H
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0E
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0G
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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8J00
 | | Human KCNQ2-CaM in complex with CBD | | 分子名称: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol | | 著者 | Ma, D, Li, X, Guo, J. | | 登録日 | 2023-04-09 | | 公開日 | 2023-11-29 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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8J01
 | | Human KCNQ2-CaM in complex with CBD and PIP2 | | 分子名称: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | | 著者 | Ma, D, Li, X, Guo, J. | | 登録日 | 2023-04-09 | | 公開日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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8J02
 | | Human KCNQ2(F104A)-CaM-PIP2-CBD complex in state II | | 分子名称: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | | 著者 | Ma, D, Li, X, Guo, J. | | 登録日 | 2023-04-09 | | 公開日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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8JM9
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8JMI
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8JMA
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8JME
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8JMH
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8IZY
 | | Human KCNQ2-CaM in complex with HN37 | | 分子名称: | Potassium voltage-gated channel subfamily KQT member 2, methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate | | 著者 | Ma, D, Li, X, Guo, J. | | 登録日 | 2023-04-09 | | 公開日 | 2023-11-29 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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