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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4XML
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4XAO
 | | Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Delfosse, V, Huet, T, Bourguet, W. | | 登録日 | 2014-12-15 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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2F98
 | | Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity. | | 分子名称: | Aklanonic Acid methyl Ester Cyclase, AknH, METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE, ... | | 著者 | Kallio, P, Sultana, A, Neimi, J, Mantsala, P, Schneider, G. | | 登録日 | 2005-12-05 | | 公開日 | 2006-02-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity.
J.Mol.Biol., 357, 2006
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4YG1
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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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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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2F99
 | | Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity. | | 分子名称: | Aklanonic Acid methyl Ester Cyclase, AknH, SULFATE ION, ... | | 著者 | Kallio, P, Sultana, A, Neimi, J, Mantsala, P, Schneider, G. | | 登録日 | 2005-12-05 | | 公開日 | 2006-02-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity.
J.Mol.Biol., 357, 2006
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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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2K72
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4NQI
 | | Structure of the N-terminal I-BAR domain (1-259) of D.Discoideum IBARa | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, SH3 domain-containing protein | | 著者 | Witte, G, Faix, J, Runge-Wollmann, P. | | 登録日 | 2013-11-25 | | 公開日 | 2014-02-05 | | 最終更新日 | 2014-04-02 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | The inverse BAR domain protein IBARa drives membrane remodeling to control osmoregulation, phagocytosis and cytokinesis.
J.Cell.Sci., 127, 2014
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6CDL
 | | HIV-1 wild type protease with GRL-03214A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand | | 分子名称: | (2aR,4S,4aR,7aR,7bR)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | 登録日 | 2018-02-08 | | 公開日 | 2018-05-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis.
J. Med. Chem., 61, 2018
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2LOC
 | | Conotoxin analogue [D-Ala2]BuIIIB | | 分子名称: | Mu-conotoxin BuIIIB | | 著者 | Kuang, Z. | | 登録日 | 2012-01-21 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Mammalian neuronal sodium channel blocker mu-conotoxin BuIIIB has a structured N-terminus that influences potency.
Acs Chem.Biol., 8, 2013
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2LO9
 | | NMR solution structure of Mu-contoxin BuIIIB | | 分子名称: | Mu-conotoxin BuIIIB | | 著者 | Kuang, Z. | | 登録日 | 2012-01-20 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Mammalian neuronal sodium channel blocker mu-conotoxin BuIIIB has a structured N-terminus that influences potency.
Acs Chem.Biol., 8, 2013
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2M6F
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2XFV
 | | Structure of the amino-terminal domain from the cell-cycle regulator Swi6 | | 分子名称: | ACETATE ION, CACODYLATE ION, CALCIUM ION, ... | | 著者 | Smerdon, S.J, Goldstone, D.C, Taylor, I.A. | | 登録日 | 2010-05-27 | | 公開日 | 2010-06-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of the Amino-Terminal Domain from the Cell-Cycle Regulator Swi6S
Proteins, 78, 2010
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5LVK
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2M6H
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2M6G
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2M62
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2LXG
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6C3G
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7L6W
 | | SFX structure of the MyD88 TIR domain higher-order assembly | | 分子名称: | Myeloid differentiation primary response protein MyD88 | | 著者 | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Flueckiger, L, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Stacey, K.J, Darmanin, C, Kobe, B, Xu, H, Ve, T. | | 登録日 | 2020-12-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
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6C3F
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