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7FBY
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BU of 7fby by Molmil
Crystal Structure of PH0140 from Pyrococcus horikosii OT3
Descriptor: 1,2-ETHANEDIOL, ISOLEUCINE, Transcriptional regulatory protein
Authors:Richard, M, Ahmad, M, Pal, R.K, Biswal, B.K, Jeyakanthan, J.
Deposit date:2021-07-13
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal Structure of PH0140 from Pyrococcus horikosii OT3
To Be Published
5OVY
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BU of 5ovy by Molmil
Crystal structure of MAB_4384 tetR
Descriptor: Putative transcriptional regulator, TetR family
Authors:Richard, M, Gutierrez, A.V, Viljoen, A, Ghigo, E, Blaise, M, Kremer, L.
Deposit date:2017-08-30
Release date:2018-03-28
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic and Structural Insights Into the Unique TetR-Dependent Regulation of a Drug Efflux Pump inMycobacterium abscessus.
Front Microbiol, 9, 2018
5OCJ
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BU of 5ocj by Molmil
Crystal structure of Ag85C bound to cyclophostin 8beta inhibitor
Descriptor: DIMETHYL SULFOXIDE, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Authors:Viljoen, A, Richard, M, Nguyen, P.C, Spilling, C.D, Canaan, S, Cavalier, J.F, Blaise, M, Kremer, L.
Deposit date:2017-07-03
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclipostins and cyclophostin analogs inhibit the antigen 85C from
J. Biol. Chem., 293, 2018
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
Descriptor: (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQF
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BU of 5aqf by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQT
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BU of 5aqt by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 5aqh by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ADENOSINE, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQN
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BU of 5aqn by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQG
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BU of 5aqg by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQJ
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BU of 5aqj by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9H-purine-6,8-diamine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQO
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BU of 5aqo by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-METHYLQUINAZOLIN-4-AMINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQP
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BU of 5aqp by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQI
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BU of 5aqi by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: ADENINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQR
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BU of 5aqr by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methoxyquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQQ
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BU of 5aqq by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQK
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BU of 5aqk by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQS
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BU of 5aqs by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, HEAT SHOCK COGNATE 71 KDA PROTEIN, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQW
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BU of 5aqw by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQV
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BU of 5aqv by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQU
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BU of 5aqu by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
Authors: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.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
3BOM
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BU of 3bom by Molmil
Crystal structure of trout hemoglobin at 1.35 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, Hemoglobin subunit alpha-4, Hemoglobin subunit beta-4, ...
Authors:Aranda IV, R, Bingman, C.A, Bitto, E, Wesenberg, G.E, Richards, M, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-12-17
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Trout Hemoglobin Crystal Structure at 1.35 Angstroms Resolution.
To be Published
4BDI
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BU of 4bdi by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
Descriptor: 1,2-ETHANEDIOL, 1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide, CHLORIDE ION, ...
Authors:Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013

 

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