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2JLE
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BU of 2jle by Molmil
Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays
Descriptor: 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile, REVERSE TRANSCRIPTASE/RNASEH
Authors:Jones, L.H, Allan, G, Barba, O, Burt, C, Corbau, R, Dupont, T, Irving, S, Mowbray, C.E, Phillips, C, Swain, N.A, Webster, R, Westby, M.
Deposit date:2008-09-08
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays.
J.Med.Chem., 52, 2009
5L8O
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BU of 5l8o by Molmil
crystal structure of human FABP6 in complex with cholate
Descriptor: CHOLIC ACID, DI(HYDROXYETHYL)ETHER, Gastrotropin
Authors:Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P.
Deposit date:2016-06-08
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
5L8I
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BU of 5l8i by Molmil
crystal structure of human FABP6 apo-protein
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, Gastrotropin, ...
Authors:Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P.
Deposit date:2016-06-08
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
5L8N
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BU of 5l8n by Molmil
crystal structure of human FABP6 protein with fragment 1
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 5,6-dimethyl-1~{H}-benzimidazol-2-amine, DI(HYDROXYETHYL)ETHER, ...
Authors:Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P.
Deposit date:2016-06-08
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
2LDC
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BU of 2ldc by Molmil
Solution structure of the estrogen receptor-binding stapled peptide SP1 (Ac-HXILHXLLQDS-NH2)
Descriptor: Estrogen receptor-binding stapled peptide SP1
Authors:Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S.
Deposit date:2011-05-20
Release date:2011-07-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Design and structure of stapled peptides binding to estrogen receptors.
J.Am.Chem.Soc., 133, 2011
2LDD
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BU of 2ldd by Molmil
Solution structure of the estrogen receptor-binding stapled peptide SP6 (Ac-EKHKILXRLLXDS-NH2)
Descriptor: Estrogen receptor-binding stapled peptide SP6
Authors:Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S.
Deposit date:2011-05-21
Release date:2011-07-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Design and structure of stapled peptides binding to estrogen receptors.
J.Am.Chem.Soc., 133, 2011
2LDA
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BU of 2lda by Molmil
Solution structure of the estrogen receptor-binding stapled peptide SP2 (Ac-HKXLHQXLQDS-NH2)
Descriptor: Estrogen receptor-binding stapled peptide SP2
Authors:Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S.
Deposit date:2011-05-20
Release date:2011-07-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Design and structure of stapled peptides binding to estrogen receptors.
J.Am.Chem.Soc., 133, 2011
2WOM
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BU of 2wom by Molmil
Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (K103N).
Descriptor: 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE
Authors:Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H.
Deposit date:2009-07-27
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Lersivirine, a nonnucleoside reverse transcriptase inhibitor with activity against drug-resistant human immunodeficiency virus type 1.
Antimicrob. Agents Chemother., 54, 2010

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