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PDB: 58 results

4K47
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BU of 4k47 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
Authors:Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
4K48
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BU of 4k48 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain
Descriptor: Leucine--tRNA ligase
Authors:Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
1GMY
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BU of 1gmy by Molmil
Cathepsin B complexed with dipeptidyl nitrile inhibitor
Descriptor: 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ...
Authors:Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K.
Deposit date:2001-09-25
Release date:2002-09-19
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design
J.Med.Chem., 44, 2001
6X5D
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BU of 6x5d by Molmil
Structure of Dickerson-Drew Dodecamer with 2'-MeSe-ara-T modification
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*(UWJ)P*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Chen, C, Fang, Z, Huang, Z.
Deposit date:2020-05-25
Release date:2021-06-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:2'-Beta-Selenium Atom on Thymidine to Control Beta-Form DNA Conformation and Large Crystal Formation
Cryst.Growth Des., 22, 2022
6W4E
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BU of 6w4e by Molmil
NMR-driven structure of KRAS4B-GTP homodimer on a lipid bilayer nanodisc
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, ...
Authors:Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
Deposit date:2020-03-10
Release date:2020-04-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement.
Angew.Chem.Int.Ed.Engl., 59, 2020
6W4F
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BU of 6w4f by Molmil
NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
Authors:Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
Deposit date:2020-03-10
Release date:2020-04-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement.
Angew.Chem.Int.Ed.Engl., 59, 2020
7KU4
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BU of 7ku4 by Molmil
DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
Descriptor: 1:(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION
Authors:Ogbonna, E, Fang, Z, Wilson, W.D.
Deposit date:2020-11-24
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
7KWK
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BU of 7kwk by Molmil
DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
Descriptor: 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E, Fang, Z, Wilson, D.W.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
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