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PDB: 16 件

2JLE
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Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays
分子名称: 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile, REVERSE TRANSCRIPTASE/RNASEH
著者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.
登録日2008-09-08
公開日2009-08-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays.
J.Med.Chem., 52, 2009
3ERY
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BU of 3ery by Molmil
Different thermodynamic binding mechanisms and peptide fine specificities associated with a panel of structurally similar high-affinity T cell receptors
分子名称: 2-oxoglutarate dehydrogenase E1 peptide, H-2 class I histocompatibility antigen
著者Huang, R.H, Jones, L.L.
登録日2008-10-03
公開日2008-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Different thermodynamic binding mechanisms and peptide fine specificities associated with a panel of structurally similar high-affinity T cell receptors
Biochemistry, 47, 2008
2WEG
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BU of 2weg by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
4WHW
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BU of 4whw by Molmil
Direct photocapture of bromodomains using tropolone chemical probes
分子名称: 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4
著者Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H.
登録日2014-09-23
公開日2015-10-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.345 Å)
主引用文献Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
5OES
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BU of 5oes by Molmil
The structure of a glutathione synthetase (StGSS1) from Solanum tuberosum in ADP and y-EC bound closed conformation.
分子名称: ADENOSINE-5'-DIPHOSPHATE, GAMMA-GLUTAMYLCYSTEINE, Glutathione synthetase, ...
著者Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
登録日2017-07-10
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
4KYT
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BU of 4kyt by Molmil
The structure of superinhibitory phospholamban bound to the calcium pump SERCA1a
分子名称: Cardiac phospholamban, POTASSIUM ION, SERCA1a, ...
著者Hurley, T.D, Akin, B.L, Jones, L.R.
登録日2013-05-29
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.833 Å)
主引用文献The structural basis for phospholamban inhibition of the calcium pump in sarcoplasmic reticulum.
J.Biol.Chem., 288, 2013
5OEV
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BU of 5oev by Molmil
The structure of a glutathione synthetase like-effector (GSS22) from Globodera pallida in apoform.
分子名称: Glutathione synthetase-like effector 22 (Gpa-GSS22-apo)
著者Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
登録日2017-07-10
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
5OEU
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BU of 5oeu by Molmil
The structure of a glutathione synthetase like-effector (GSS22) from Globodera pallida in ADP-bound closed conformation.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutathione synthetase-like effector 22 (Gpa-GSS22-closed), MAGNESIUM ION
著者Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
登録日2017-07-10
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
5OET
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BU of 5oet by Molmil
The structure of a glutathione synthetase like-effector (GSS30) from Globodera pallida in apoform.
分子名称: Glutathione synthetase-like effector 30 (Gpa-GSS30-apo), MAGNESIUM ION
著者Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
登録日2017-07-10
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
2M5S
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BU of 2m5s by Molmil
High-resolution NMR structure and cryo-EM imaging support multiple functional roles for the accessory I-domain of phage P22 coat protein
分子名称: Coat protein
著者Rizzo, A.A, Suhanovsky, M.M, Baker, M.L, Fraser, L.C.R, Jones, L.M, Rempel, D.L, Gross, M.L, Chiu, W, Alexandrescu, A.T, Teschke, C.M.
登録日2013-03-05
公開日2014-03-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Multiple Functional Roles of the Accessory I-Domain of Bacteriophage P22 Coat Protein Revealed by NMR Structure and CryoEM Modeling.
Structure, 22, 2014
2WEO
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BU of 2weo by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-04-01
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2WEJ
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BU of 2wej by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2WEH
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BU of 2weh by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
5CGP
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BU of 5cgp by Molmil
Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, CREB-binding protein
著者Chekler, E.L, Jones, L.H.
登録日2015-07-09
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015
5CFW
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BU of 5cfw by Molmil
Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4
著者Chekler, E.L, Jones, L.H.
登録日2015-07-08
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015
1T5K
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BU of 1t5k by Molmil
Crystal structure of amicyanin substituted with cobalt
分子名称: Amicyanin, COBALT (II) ION, PHOSPHATE ION
著者Carrell, C.J, Wang, X, Jones, L, Jarrett, W.L, Davidson, V.L, Mathews, F.S.
登録日2004-05-04
公開日2004-07-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallographic and NMR Investigation of Cobalt-Substituted Amicyanin.
Biochemistry, 43, 2004

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