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8Q61
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BU of 8q61 by Molmil
Co-crystal structure of human AKT2 with compound 3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one, GLYCEROL, ...
著者Harrison, T, Barker, O.
登録日2023-08-10
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification and development of a subtype-selective allosteric AKT inhibitor suitable for clinical development.
Sci Rep, 12, 2022
5N9T
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Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor
分子名称: 3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{R})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one, GLYCEROL, SULFATE ION, ...
著者Harrison, T, Gavory, G, O'Dowd, C, Helm, M, Flasz, J, Arkoudis, E, Dossang, A, Hughes, C, Cassidy, E, McClelland, K, Odrzywol, E, Page, N, Barker, O, Miel, H.
登録日2017-02-27
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery and characterization of highly potent and selective allosteric USP7 inhibitors.
Nat. Chem. Biol., 14, 2018
5N9R
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BU of 5n9r by Molmil
Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor
分子名称: 7-bromanyl-3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Harrison, T, Gavory, G, O'Dowd, C, Helm, M, Flasz, I, Arkoudis, E, Dossang, A, Hughes, C, Cassidy, E, McClelland, K, Odrzywol, E, Page, N, Barker, O, Miel, H.
登録日2017-02-27
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery and characterization of highly potent and selective allosteric USP7 inhibitors.
Nat. Chem. Biol., 14, 2018
6F5H
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BU of 6f5h by Molmil
Crystal structure of USP7 in complex with a 4-hydroxypiperidine based inhibitor
分子名称: 3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one, GLYCEROL, SULFATE ION, ...
著者Harrison, T, Gavory, G, O'Dowd, C, Helm, M, Flasz, J, Dossang, A, Hughes, C, Cassidy, E, McClelland, K, Odrzywol, E, Page, N, Barker, O, Miel, H, Feutron-Burton, S, Rountree, J.S.S.
登録日2017-12-01
公開日2018-04-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Identification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors.
ACS Med Chem Lett, 9, 2018
1Q2W
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BU of 1q2w by Molmil
X-Ray Crystal Structure of the SARS Coronavirus Main Protease
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like protease
著者Bonanno, J.B, Fowler, R, Gupta, S, Hendle, J, Lorimer, D, Romero, R, Sauder, J.M, Wei, C.L, Liu, E.T, Burley, S.K, Harris, T.
登録日2003-07-26
公開日2003-07-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Company Says It Mapped Part of SARS Virus
New York Times, 30 July, 2003
7LXP
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BU of 7lxp by Molmil
Collagen Mimetic Peptide with an Xaa-position Aza-proline
分子名称: Collagen mimetic peptide
著者Melton, S.D, Harris, T, Chenoweth, D.M.
登録日2021-03-04
公開日2022-03-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Collagen Mimetic Peptide with an Xaa-position Aza-proline
To Be Published
7LXQ
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BU of 7lxq by Molmil
Collagen Mimetic Peptide with a Yaa-position Aza-proline
分子名称: Collagen mimetic peptide
著者Melton, S.D, Harris, T, Chenoweth, D.M.
登録日2021-03-04
公開日2022-03-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Collagen Mimetic Peptide with a Yaa-position Aza-proline
To Be Published
1GWB
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BU of 1gwb by Molmil
STRUCTURE OF GLYCOPROTEIN 1B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
著者Emsley, J, Uff, S, Clemetson, K.J.M, Clemetson, J.M, Harrison, T.
登録日2002-03-14
公開日2003-02-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Platelet Glycoprotein Ib-Alpha N-Terminal Domain Reveals an Unmasking Mechanism of Receptor Activation
J.Biol.Chem., 277, 2002
2BM2
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BU of 2bm2 by Molmil
human beta-II tryptase in complex with 4-(3-Aminomethyl-phenyl)- piperidin-1-yl-(5-phenethyl- pyridin-3-yl)-methanone
分子名称: 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE
著者Maignan, S, Guilloteau, J.-P, Dupuy, A, Levell, J, Astles, P, Eastwood, P, Cairns, J, Houille, O, Aldous, S, Merriman, G, Whiteley, B, Pribish, J, Czekaj, M, Liang, G, Davidson, J, Harrison, T, Morley, A, Watson, S, Fenton, G, Mccarthy, C, Romano, J, Mathew, R, Engers, D, Gardyan, M, Sides, K, Kwong, J, Tsay, J, Rebello, S, Shen, L, Wang, J, Luo, Y, Giardino, O, Lim, H.-K, Smith, K, Pauls, H.
登録日2005-03-09
公開日2005-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase
Bioorg.Med.Chem., 13, 2005
6YBH
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BU of 6ybh by Molmil
Deoxyribonucleoside Kinase
分子名称: Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ...
著者Allouche-Arnon, H, Bar-Shir, A, Dym, O.
登録日2020-03-17
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression.
Nat.Biotechnol., 40, 2022
6M80
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BU of 6m80 by Molmil
Collagen peptide containing aza-proline and aza-glycine
分子名称: 1,2-ETHANEDIOL, Collagen peptide containing aza-proline and aza-glycine, SULFATE ION
著者Chenoweth, D.M, Kasznel, A.J, Porter, N.J.
登録日2018-08-21
公開日2019-07-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Aza-proline effectively mimics l-proline stereochemistry in triple helical collagen.
Chem Sci, 10, 2019
2I37
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BU of 2i37 by Molmil
Crystal structure of a photoactivated rhodopsin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Rhodopsin, ...
著者Lodowski, D.T, Stenkamp, R.E, Salom, D, Le Trong, I, Palczewski, K.
登録日2006-08-17
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4.15 Å)
主引用文献Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2I35
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BU of 2i35 by Molmil
Crystal structure of rhombohedral crystal form of ground-state rhodopsin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, RETINAL, ...
著者Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K.
登録日2006-08-17
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2I36
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BU of 2i36 by Molmil
Crystal structure of trigonal crystal form of ground-state rhodopsin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, Rhodopsin, ...
著者Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K.
登録日2006-08-17
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8RZ0
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BU of 8rz0 by Molmil
Synthetic immunogen RH5-34EM bound to monoclonal antibody R5.016
分子名称: GLYCEROL, R5.016 scFv, RH5-34EM
著者Farrell, B, Harrison, T, Higgins, M.K.
登録日2024-02-11
公開日2024-07-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Synthetic immunogen RH5-34EM bound to monoclonal antibody R5.016
To Be Published

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件を2024-07-17に公開中

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