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6TSD
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BU of 6tsd by Molmil
Crystal structure of human coxsackievirus A24v in complex with pentavalent inhibitor ME0752
分子名称: CALCIUM ION, CHLORIDE ION, Capsid protein VP1, ...
著者Zocher, G, Stehle, T.
登録日2019-12-20
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Pentavalent Sialic Acid Conjugates Block Coxsackievirus A24 Variant and Human Adenovirus Type 37-Viruses That Cause Highly Contagious Eye Infections.
Acs Chem.Biol., 15, 2020
4NUX
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BU of 4nux by Molmil
Structure of receptor A
分子名称: Interleukin-17 receptor A
著者Zhang, B, Han, Y, Deng, J.
登録日2013-12-04
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Structure of the unique SEFIR domain from human interleukin 17 receptor A reveals a composite ligand-binding site containing a conserved alpha-helix for Act1 binding and IL-17 signaling.
Acta Crystallogr.,Sect.D, 70, 2014
6WNY
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BU of 6wny by Molmil
Crystal structure of BACE1 in complex with (Z)-fluoro-olefin containing compound 15
分子名称: 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile, Beta-secretase 1, IODIDE ION
著者Whittington, D.A.
登録日2020-04-23
公開日2020-06-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The development of a structurally distinct series of BACE1 inhibitors via the (Z)-fluoro-olefin amide bioisosteric replacement.
Bioorg.Med.Chem.Lett., 30, 2020
4XKX
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BU of 4xkx by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28
分子名称: (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M.
登録日2015-01-12
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
3WLW
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BU of 3wlw by Molmil
Molecular Architecture of the ErbB2 Extracellular Domain Homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody H Chain, ...
著者Hu, S, Lou, Z.Y, Guo, Y.J.
登録日2013-11-15
公開日2015-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.088 Å)
主引用文献Molecular architecture of the ErbB2 extracellular domain homodimer.
Oncotarget, 6, 2015
3WD5
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BU of 3wd5 by Molmil
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
4XQA
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BU of 4xqa by Molmil
CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0462
分子名称: (1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ...
著者Stehle, T, Liaci, A.M.
登録日2015-01-19
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4072 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4XQB
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BU of 4xqb by Molmil
CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0461
分子名称: 2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ...
著者Stehle, T, Liaci, A.M.
登録日2015-01-19
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4WTU
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BU of 4wtu by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22
分子名称: (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M.
登録日2014-10-30
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015
4K6V
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BU of 4k6v by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0407
分子名称: 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol, 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ACETATE ION, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
3VBC
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BU of 3vbc by Molmil
Crystal Structure of iL-17 receptor B SEFIR domain
分子名称: Interleukin-17 receptor B
著者Zhang, B, Liu, C, Li, X, Deng, J.
登録日2012-01-02
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of IL-17 Receptor B SEFIR Domain.
J.Immunol., 190, 2013
3QND
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BU of 3qnd by Molmil
crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor
分子名称: Fiber protein, N-acetyl-alpha-neuraminic acid, ZINC ION
著者Stehle, T, Bauer, J, Elofsson, M.
登録日2011-02-08
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A potent trivalent sialic Acid inhibitor of adenovirus type 37 infection of human corneal cells.
Angew.Chem.Int.Ed.Engl., 50, 2011
4K6W
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BU of 4k6w by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0408
分子名称: 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4K6T
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BU of 4k6t by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0385
分子名称: 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, ACETATE ION, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4K6U
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BU of 4k6u by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0386
分子名称: 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol, ACETATE ION, Fiber protein, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
4PDO
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BU of 4pdo by Molmil
Structure of Ephrin type-A receptor 2
分子名称: Ephrin type-A receptor 2
著者Jimin, Z, Qiang, W, Zongchao, J.
登録日2014-04-19
公開日2014-05-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structure of Ephrin type-A receptor 2
To Be Published
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