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PDB: 10 results

6F5H
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BU of 6f5h by Molmil
Crystal structure of USP7 in complex with a 4-hydroxypiperidine based inhibitor
Descriptor: 3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one, GLYCEROL, SULFATE ION, ...
Authors: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.
Deposit date:2017-12-01
Release date:2018-04-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Identification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors.
ACS Med Chem Lett, 9, 2018
8Q61
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BU of 8q61 by Molmil
Co-crystal structure of human AKT2 with compound 3
Descriptor: 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, ...
Authors:Harrison, T, Barker, O.
Deposit date:2023-08-10
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification and development of a subtype-selective allosteric AKT inhibitor suitable for clinical development.
Sci Rep, 12, 2022
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
Descriptor: 7-bromanyl-3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors: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.
Deposit date:2017-02-27
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery and characterization of highly potent and selective allosteric USP7 inhibitors.
Nat. Chem. Biol., 14, 2018
5N9T
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BU of 5n9t by Molmil
Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor
Descriptor: 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, ...
Authors: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.
Deposit date:2017-02-27
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery and characterization of highly potent and selective allosteric USP7 inhibitors.
Nat. Chem. Biol., 14, 2018
7LXP
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BU of 7lxp by Molmil
Collagen Mimetic Peptide with an Xaa-position Aza-proline
Descriptor: Collagen mimetic peptide
Authors:Melton, S.D, Harris, T, Chenoweth, D.M.
Deposit date:2021-03-04
Release date:2022-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Collagen mimetic peptide
Authors:Melton, S.D, Harris, T, Chenoweth, D.M.
Deposit date:2021-03-04
Release date:2022-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Collagen Mimetic Peptide with a Yaa-position Aza-proline
To Be Published
1Q2W
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BU of 1q2w by Molmil
X-Ray Crystal Structure of the SARS Coronavirus Main Protease
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like protease
Authors: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.
Deposit date:2003-07-26
Release date:2003-07-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Company Says It Mapped Part of SARS Virus
New York Times, 30 July, 2003
8RZ0
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BU of 8rz0 by Molmil
Synthetic immunogen RH5-34EM bound to monoclonal antibody R5.016
Descriptor: GLYCEROL, R5.016 scFv, RH5-34EM
Authors:Farrell, B, Harrison, T, Higgins, M.K.
Deposit date:2024-02-11
Release date:2024-07-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Synthetic immunogen RH5-34EM bound to monoclonal antibody R5.016
To Be Published
1GWB
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BU of 1gwb by Molmil
STRUCTURE OF GLYCOPROTEIN 1B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
Authors:Emsley, J, Uff, S, Clemetson, K.J.M, Clemetson, J.M, Harrison, T.
Deposit date:2002-03-14
Release date:2003-02-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE
Authors: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.
Deposit date:2005-03-09
Release date:2005-03-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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

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