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PDB: 37 件

5AQM
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BU of 5aqm by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQY
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BU of 5aqy by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 1,2-ETHANEDIOL, ADENOSINE, DIMETHYL SULFOXIDE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQH
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQX
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BU of 5aqx by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQL
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BU of 5aql by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
4EP6
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Crystal structure of the XplA heme domain in complex with imidazole and PEG
分子名称: Cytochrome P450-like protein XplA, IMIDAZOLE, PENTAETHYLENE GLYCOL, ...
著者Bui, S.H, McLean, K.J, Cheesman, M.R, Bradley, J.M, Rigby, S.E.J, Leys, D, Munro, A.W.
登録日2012-04-17
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unusual Spectroscopic and Ligand Binding Properties of the Cytochrome P450-Flavodoxin Fusion Enzyme XplA.
J.Biol.Chem., 287, 2012
4YPQ
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BU of 4ypq by Molmil
Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma
著者Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L.
登録日2015-03-13
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
1H31
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Oxidised SoxAX complex from Rhodovulum sulfidophilum
分子名称: CYTOCHROME C, DIHEME CYTOCHROME C, HEME C
著者Bamford, V.A, Bruno, S, Rasmussen, T, Appia-Ayme, C, Cheesman, M.R, Berks, B.C, Hemmings, A.M.
登録日2002-08-21
公開日2002-11-07
最終更新日2013-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for the Oxidation of Thiosulfate by a Sulfur Cycle Enzyme
Embo J., 21, 2002
1H32
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BU of 1h32 by Molmil
Reduced SoxAX complex from Rhodovulum sulfidophilum
分子名称: 1,2-ETHANEDIOL, CYTOCHROME C, DIHEME CYTOCHROME C, ...
著者Bamford, V.A, Bruno, S, Rasmussen, T, Appia-Ayme, C, Cheesman, M.R, Berks, B.C, Hemmings, A.M.
登録日2002-08-21
公開日2002-11-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for the Oxidation of Thiosulfate by a Sulfur Cycle Enzyme
Embo J., 21, 2002
1H33
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BU of 1h33 by Molmil
Oxidised SoxAX complex from Rhodovulum sulfidophilum
分子名称: CYTOCHROME C, DIHEME CYTOCHROME C, HEME C
著者Bamford, V.A, Bruno, S, Rasmussen, T, Appia-Ayme, C, Cheesman, M.R, Berks, B.C, Hemmings, A.M.
登録日2002-08-21
公開日2002-11-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for the Oxidation of Thiosulfate by a Sulfur Cycle Enzyme
Embo J., 21, 2002
5EC9
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BU of 5ec9 by Molmil
Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2
分子名称: 4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha
著者Leysen, S, Ottmann, C, Schafer, A, Scheepstra, M, Brunsveld, L, Sunden, R, Ma, J.N, Burnstein, E.S, Olsson, R.
登録日2015-10-20
公開日2016-03-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation.
J.Med.Chem., 59, 2016
4OC7
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BU of 4oc7 by Molmil
Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2
分子名称: (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C.
登録日2014-01-08
公開日2014-10-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A natural-product switch for a dynamic protein interface.
Angew.Chem.Int.Ed.Engl., 53, 2014
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