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1GME
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BU of 1gme by Molmil
Crystal structure and assembly of an eukaryotic small heat shock protein
Descriptor: HEAT SHOCK PROTEIN 16.9B
Authors:Van Montfort, R.L.M, Basha, E, Friedrich, K.L, Slingsby, C, Vierling, E.
Deposit date:2001-09-13
Release date:2001-11-29
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure and Assembly of an Eukaryotic Small Heat Shock Protein
Nat.Struct.Biol., 8, 2001
1OKI
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BU of 1oki by Molmil
Crystal structure of truncated human beta-B1-crystallin
Descriptor: BETA CRYSTALLIN B1
Authors:van Montfort, R.L.M, Bateman, O.A, Lubsen, N.H, Slingsby, C.
Deposit date:2003-07-25
Release date:2004-01-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Truncated Human Beta-B1-Crystallin
Protein Sci., 12, 2003
8OIZ
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BU of 8oiz by Molmil
Crystal structure of human CRBN-DDB1 in complex with Pomalidomide
Descriptor: 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Le Bihan, Y.-V, Cabry, M.P, van Montfort, R.L.M.
Deposit date:2023-03-23
Release date:2023-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
8OJH
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BU of 8ojh by Molmil
Crystal structure of human CRBN-DDB1 in complex with compound 4
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione, DNA damage-binding protein 1, ...
Authors:Cabry, M.P, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2023-03-24
Release date:2023-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
7QK0
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BU of 7qk0 by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 12a
Descriptor: (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ...
Authors:Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2021-12-17
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
8C78
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BU of 8c78 by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound CCT374705
Descriptor: (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ...
Authors:Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2023-01-13
Release date:2023-04-26
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of an In Vivo Chemical Probe for BCL6 Inhibition by Optimization of Tricyclic Quinolinones.
J.Med.Chem., 66, 2023
7ZWO
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BU of 7zwo by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 2
Descriptor: (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine, 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWZ
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BU of 7zwz by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 22
Descriptor: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
Authors:Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWU
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BU of 7zwu by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 15
Descriptor: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
Authors:Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWS
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BU of 7zws by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 13
Descriptor: 1,2-ETHANEDIOL, 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWN
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BU of 7zwn by Molmil
Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide
Descriptor: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
Authors:Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWR
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BU of 7zwr by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 11
Descriptor: 1,2-ETHANEDIOL, 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWW
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BU of 7zww by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 18
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one, B-cell lymphoma 6 protein
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWP
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BU of 7zwp by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 7
Descriptor: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
Authors:Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWV
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BU of 7zwv by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 17
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWQ
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BU of 7zwq by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 10
Descriptor: 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ...
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWT
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BU of 7zwt by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 14
Descriptor: 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ...
Authors:Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWX
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BU of 7zwx by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 19
Descriptor: 1,2-ETHANEDIOL, 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWY
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BU of 7zwy by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 21
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
6TOG
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BU of 6tog by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 5
Descriptor: 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
Authors:Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2019-12-11
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOM
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BU of 6tom by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 1
Descriptor: 1,2-ETHANEDIOL, 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2019-12-11
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOH
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BU of 6toh by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 6
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Collie, G.W, Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2019-12-11
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOL
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BU of 6tol by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 25a
Descriptor: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein, ...
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2019-12-11
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOJ
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BU of 6toj by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 17a
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2019-12-11
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOF
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BU of 6tof by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 4
Descriptor: 1,2-ETHANEDIOL, 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2019-12-11
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020

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