8Q61
 
 | | 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
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5N9T
 | | 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
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5N9R
 | | 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
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6F5H
 | | 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
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1Q2W
 | | 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
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7LXP
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7LXQ
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1GWB
 | | 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: | 2020-07-29 | | 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
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2BM2
 | | 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: | 2023-12-13 | | 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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6YBH
 | | Deoxyribonucleoside Kinase | | Descriptor: | Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ... | | Authors: | Allouche-Arnon, H, Bar-Shir, A, Dym, O. | | Deposit date: | 2020-03-17 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression.
Nat.Biotechnol., 40, 2022
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6M80
 | | Collagen peptide containing aza-proline and aza-glycine | | Descriptor: | 1,2-ETHANEDIOL, Collagen peptide containing aza-proline and aza-glycine, SULFATE ION | | Authors: | Chenoweth, D.M, Kasznel, A.J, Porter, N.J. | | Deposit date: | 2018-08-21 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Aza-proline effectively mimics l-proline stereochemistry in triple helical collagen.
Chem Sci, 10, 2019
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2I37
 | | Crystal structure of a photoactivated rhodopsin | | Descriptor: | 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, ... | | Authors: | Lodowski, D.T, Stenkamp, R.E, Salom, D, Le Trong, I, Palczewski, K. | | Deposit date: | 2006-08-17 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4.15 Å) | | Cite: | Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2I35
 | | Crystal structure of rhombohedral crystal form of ground-state rhodopsin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, RETINAL, ... | | Authors: | Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K. | | Deposit date: | 2006-08-17 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2I36
 | | Crystal structure of trigonal crystal form of ground-state rhodopsin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, Rhodopsin, ... | | Authors: | Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K. | | Deposit date: | 2006-08-17 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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8RZ0
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