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7AZB
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BU of 7azb by Molmil
Structure of DDR2 DS domain in complex with VHH
Descriptor: Discoidin domain-containing receptor 2, VHH
Authors:Talagas, A, Nawrotek, A, Arrial, A, Vuillard, L.M, Miallau, L.
Deposit date:2020-11-16
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of DDR2 DS domain in complex with VHH
To Be Published
5JUB
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BU of 5jub by Molmil
Crystal structure of ComR from S.thermophilus in complex with DNA and its signalling peptide ComS.
Descriptor: ComS, Transcriptional regulator, pComX-for, ...
Authors:Talagas, A, Fontaine, L, Ledesma-Garcia, L, Li de la Sierra-Gallay, I, Hols, P, Nessler, S.
Deposit date:2016-05-10
Release date:2016-10-26
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural Insights into Streptococcal Competence Regulation by the Cell-to-Cell Communication System ComRS.
PLoS Pathog., 12, 2016
5JUF
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BU of 5juf by Molmil
Crystal structure of the apo form of ComR from S. thermophilus.
Descriptor: SULFATE ION, Transcriptional regulator
Authors:Talagas, A, Fontaine, L, Ledesma, L, Li de la Sierra-Gallay, I, Hols, P, Nessler, S.
Deposit date:2016-05-10
Release date:2016-10-26
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (1.946 Å)
Cite:Structural Insights into Streptococcal Competence Regulation by the Cell-to-Cell Communication System ComRS.
PLoS Pathog., 12, 2016
5DBK
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BU of 5dbk by Molmil
apo form of the quorum sensor NprR from B. thuringiensis
Descriptor: Transcriptional regulator/TPR domain protein
Authors:Talagas, A, Perchat, S, Lereclus, D, Nessler, S.
Deposit date:2015-08-21
Release date:2016-07-13
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (3.241 Å)
Cite:How Quorum Sensing Connects Sporulation to Necrotrophism in Bacillus thuringiensis.
Plos Pathog., 12, 2016
7OTS
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BU of 7ots by Molmil
Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside
Descriptor: GLYCEROL, Monoacylglycerol lipase ABHD6, OLEIC ACID, ...
Authors:Nawrotek, A, Talagas, A, Vuillard, L, Miallau, L.
Deposit date:2021-06-10
Release date:2021-06-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside
To Be Published
7AYM
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BU of 7aym by Molmil
Structure of DDR2 Kinase domain in complex with IBZ3
Descriptor: Discoidin domain-containing receptor 2,Epithelial discoidin domain-containing receptor 1, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Authors:Nawrotek, A, Talagas, A, Vuillard, L.M, Miallau, L.
Deposit date:2020-11-12
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure of DDR2 Kinase domain in complex with IBZ3
To Be Published
6F22
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BU of 6f22 by Molmil
Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative)
Descriptor: (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F1X
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BU of 6f1x by Molmil
Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative)
Descriptor: 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F23
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BU of 6f23 by Molmil
Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative)
Descriptor: 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ...
Authors:Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F20
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BU of 6f20 by Molmil
Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative)
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ...
Authors:Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
5FD4
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BU of 5fd4 by Molmil
Crystal Structure of ComR from Streptococcus suis
Descriptor: ComR
Authors:Prehna, G, Shanker, E.B, Federle, M.J.
Deposit date:2015-12-15
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pheromone Recognition and Selectivity by ComR Proteins among Streptococcus Species.
PLoS Pathog., 12, 2016

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