Author results

1DXK
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METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 569/H/9 C168S MUTANT
Descriptor:CLASS B BETA-LACTAMASE, ZINC ION, BICARBONATE ION
Authors:Chantalat, L., Duee, E., Dideberg, O.
Deposit date:2000-01-10
Release date:2000-08-25
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Effects of the Active Site Mutation Cysteine to Serine in Bacillus Cereus Zinc-Beta-Lactamase
Protein Sci., 9, 2000
1E31
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SURVIVIN DIMER H. SAPIENS
Descriptor:APOPTOSIS INHIBITOR SURVIVIN, ZINC ION, COBALT (II) ION
Authors:Chantalat, L., Skoufias, D.A., Margolis, R.L., Dideberg, O.
Deposit date:2000-06-04
Release date:2001-01-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal Structure of Human Survivin Reveals a Bow Tie-Shaped Dimer with Two Unusual Alpha-Helical Extensions
Mol.Cell, 6, 2000
1HGU
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HUMAN GROWTH HORMONE
Descriptor:HUMAN GROWTH HORMONE
Authors:Chantalat, L., Jones, N., Korber, F., Navaza, J., Pavlovsky, A.G.
Deposit date:1995-05-11
Release date:1995-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:THE CRYSTAL-STRUCTURE OF WILD-TYPE GROWTH-HORMONE AT 2.5 ANGSTROM RESOLUTION.
Protein Pept.Lett., 2, 1995
1HQ3
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CRYSTAL STRUCTURE OF THE HISTONE-CORE-OCTAMER IN KCL/PHOSPHATE
Descriptor:HISTONE H2A-IV, HISTONE H2B, HISTONE H3, ...
Authors:Chantalat, L., Nicholson, J.M., Lambert, S.J., Reid, A.J., Donovan, M.J., Reynolds, C.D., Wood, C.M., Baldwin, J.P.
Deposit date:2000-12-14
Release date:2001-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of the histone-core octamer in KCl/phosphate crystals at 2.15 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
1QF8
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TRUNCATED FORM OF CASEIN KINASE II BETA SUBUNIT (2-182) FROM HOMO SAPIENS
Descriptor:CASEIN KINASE II, ZINC ION, MAGNESIUM ION
Authors:Chantalat, L., Leroy, D., Filhol, O., Nueda, A., Benitez, M.J., Chambaz, E., Cochet, C., Dideberg, O.
Deposit date:1999-04-07
Release date:2000-04-19
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of the human protein kinase CK2 regulatory subunit reveals its zinc finger-mediated dimerization.
EMBO J., 18, 1999
6FX0
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STRUCTURE-BASED DESIGN OF TRIFAROTENE (CD5789), A POTENT AND SELECTIVE RAR GAMMA AGONIST FOR THE TREATMENT OF ACNE
Descriptor:Retinoic acid receptor gamma, 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid, TETRAETHYLENE GLYCOL
Authors:Chantalat, L., Thoreau, E.
Deposit date:2018-03-08
Release date:2018-05-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne.
Bioorg. Med. Chem. Lett., 28, 2018
1EEH
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor:UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
Authors:Bertrand, J.A., Fanchon, E., Martin, L., Chantalat, L., Auger, G., Blanot, D., van Heijenoort, J., Dideberg, O.
Deposit date:2000-01-31
Release date:2001-01-17
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:"Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase.
J.Mol.Biol., 301, 2000
6F6R
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 WITH N-{3-[1-((S)-2-HYDROXY-5-OXO-TETRAHYDRO-FURAN-3-YLCARBAMOYL)-ETHYL]-1-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-PYRIMIDIN-5-YL}-4-(QUINOXALIN-2-YLAMINO)-BENZAMIDE
Descriptor:Caspase-1, (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, SULFATE ION
Authors:Fournier, J.F., Clary, L., Chambon, S., Dumais, L., Harris, C.S., Millois-Barbuis, C., Pierre, R., Talano, S., Thoreau, E., Aubert, J., Aurelly, M., Bouix-Peter, C., Brethon, A., Chantalat, L., Christin, O., Comino, C., El-Bazbouz, G., Ghilini, A.L., Isabet, T., Lardy, C., Luzy, A.P., Mathieu, C., Mebrouk, K., Orfila, D., Pascau, J., Reverse, K., Roche, D., Rodeschini, V., Hennequin, L.F.
Deposit date:2017-12-06
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
5MMV
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 WITH 2-((2-NAPHTHOYL)-L-VALYL)-4-HYDROXY-N-((3S)-2-HYDROXY-5-OXOTETRAHYDROFURAN-3-YL)-2-AZABICYCLO[2.2.2]OCTANE-3-CARBOXAMIDE (COMPOUND 1)
Descriptor:Caspase-1, (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
Authors:Brethon, A., Chantalat, L., Christin, O., Clary, L., Fournier, J.F., Gastreich, M., Harris, C., Pascau, J., Isabet, T., Rodeschin, V., Thoreau, E., Roche, D.
Deposit date:2016-12-12
Release date:2017-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
To Be Published
5MTK
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 WITH (3S,6S,10AS)-N-((2S,3S)-2-HYDROXY-5-OXOTETRAHYDROFURAN-3-YL)-6-(ISOQUINOLINE-1-CARBOXAMIDO)-5-OXODECAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE (PGE-3935199)
Descriptor:Caspase-1, (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
Authors:Brethon, A., Chantalat, L., Christin, O., Clary, L., Fournier, J.F., Gastreich, M., Harris, C., Pascau, J., Isabet, T., Rodeschin, V., Thoreau, E., Roche, D.
Deposit date:2017-01-09
Release date:2018-02-28
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
1E0D
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor:UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, SULFATE ION
Authors:Fanchon, E., Bertrand, J., Chantalat, L., Dideberg, O.
Deposit date:2000-03-24
Release date:2000-06-09
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:"Open" Structures of Murd: Domain Movements and Structural Similarities with Folylpolyglutamate Synthetase.
J.Mol.Biol., 301, 2000
5LWP
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DISCOVERY OF PHENOXYINDAZOLES AND PHENYLTHIOINDAZOLES AS RORG INVERSE AGONISTS
Descriptor:Nuclear receptor ROR-gamma, 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid
Authors:Ouvry, G., Bouix-Peter, C., Ciesielski, F., Chantalat, L., Christin, O., Comino, C., Duvert, D., Feret, C., Harris, C.S., Luzy, A.-P., Musicki, B., Orfila, D., Pascau, J., Parnet, V., Perrin, A., Pierre, R., Raffin, C., Rival, Y., Taquet, N., Thoreau, E., Hennequin, L.F.
Deposit date:2016-09-19
Release date:2016-11-16
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
6G3O
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CRYSTAL STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH (R)-6-[3,4-DIOXO-2-(4-TRIFLUOROMETHOXY-PHENYLAMINO)-CYCLOBUT-1-ENYLAMINO]-HEPTANOIC ACID HYDROXYAMIDE
Descriptor:Histone deacetylase 2, ZINC ION, CALCIUM ION, ...
Authors:Isabet, T., Aurelly, M., Chantalat, L., Thoreau, E.
Deposit date:2018-03-26
Release date:2018-06-27
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma.
Bioorg. Med. Chem. Lett., 28, 2018
1DYP
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1,3-ALPHA-1,4-BETA-D-GALACTOSE-4-SULFATE-3,6-ANHYDRO-D-GALACTOSE 4 GALACTOHYDROLASE
Descriptor:KAPPA-CARRAGEENASE, CADMIUM ION, CHLORIDE ION
Authors:Michel, G., Chantalat, L., Dideberg, O.
Deposit date:2000-02-04
Release date:2001-01-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The Kappa-Carrageenase of P. Carrageenovora Features a Tunnel-Shaped Active Site: A Novel Insight in the Evolution of Clan-B Glycoside Hydrolases
Structure, 9, 2001
1H80
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1,3-ALPHA-1,4-BETA-D-GALACTOSE-4-SULFATE- 3,6-ANHYDRO-D-GALACTOSE-2-SULFATE 4 GALACTOHYDROLASE
Descriptor:IOTA-CARRAGEENASE, CALCIUM ION, CHLORIDE ION, ...
Authors:Michel, G., Chantalat, L., Dideberg, O.
Deposit date:2001-01-22
Release date:2001-11-27
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Iota-Carrageenase of Alteromonas Fortis. A Beta-Helix Fold-Containing Enzyme for the Degradation of a Highly Polyanionic Polysaccharide
J.Biol.Chem., 276, 2001
1H87
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GADOLINIUM DERIVATIVE OF TETRAGONAL HEN EGG-WHITE LYSOZYME AT 1.7 A RESOLUTION
Descriptor:LYSOZYME C, 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, ...
Authors:Girard, E., Chantalat, L., Vicat, J., Kahn, R.
Deposit date:2001-01-25
Release date:2002-01-15
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Gd-Hp-Do3A, a Complex to Obtain High-Phasing-Power Heavy Atom Derivatives for Sad and MAD Experiments. Results with Tetragonal Hen Egg-White Lysozyme
Acta Crystallogr.,Sect.D, 58, 2001
1MQO
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METALLO-BETA-LACTAMASE BCII CD SUBSTITUTED FROM BACILLUS CEREUS AT 1.35 ANGSTROMS RESOLUTION
Descriptor:Beta-lactamase II, CADMIUM ION, CITRIC ACID
Authors:Garcia-Saez, I., Chantalat, L., Dideberg, O.
Deposit date:2002-09-17
Release date:2004-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High resolution structure of the Cd substituted BcII from Bacillus cereus
To be Published
1TZY
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CRYSTAL STRUCTURE OF THE CORE-HISTONE OCTAMER TO 1.90 ANGSTROM RESOLUTION
Descriptor:Histone H2A-IV, Histone H2B, HISTONE H3, ...
Authors:Wood, C.M., Nicholson, J.M., Chantalat, L., Reynolds, C.D., Lambert, S.J., Baldwin, J.P.
Deposit date:2004-07-12
Release date:2004-08-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution structure of the native histone octamer.
Acta Crystallogr.,Sect.F, 61, 2005
1I1N
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HUMAN PROTEIN L-ISOASPARTATE O-METHYLTRANSFERASE WITH S-ADENOSYL HOMOCYSTEINE
Descriptor:PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Smith, C.D., Chattopadhyay, D., Carson, M., Friedman, A.M., Skinner, M.M.
Deposit date:2001-02-02
Release date:2002-03-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human L-isoaspartyl-O-methyl-transferase with S-adenosyl homocysteine at 1.6-A resolution and modeling of an isoaspartyl-containing peptide at the active site.
Protein Sci., 11, 2002
1E8C
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STRUCTURE OF MURE THE UDP-N-ACETYLMURAMYL TRIPEPTIDE SYNTHETASE FROM E. COLI
Descriptor:UDP-N-ACETYLMURAMOYLALANYL-D-GLUTAMATE--2,6-DIAMINOPIMELATE LIGASE, CHLORIDE ION, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE, ...
Authors:Gordon, E.J., Chantala, L., Dideberg, O.
Deposit date:2000-09-19
Release date:2001-09-13
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Udp-N-Acetylmuramoyl-L-Alanyl-D-Glutamate: Meso-Diaminopimelate Ligase from Escherichia Coli
J.Biol.Chem., 276, 2001
4BAD
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HEN EGG-WHITE LYSOZYME STRUCTURE IN COMPLEX WITH THE EUROPIUM TRIS- HYDROXYMETHYLTRIAZOLEDIPICOLINATE COMPLEX AT 1.35 A RESOLUTION.
Descriptor:LYSOZYME C, 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, ...
Authors:Talon, R., Kahn, R., Gautier, A., Nauton, L., Girard, E.
Deposit date:2012-09-13
Release date:2012-11-14
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
4BAF
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HEN EGG-WHITE LYSOZYME STRUCTURE IN COMPLEX WITH THE EUROPIUM TRIS- HYDROXYETHYLTRIAZOLEDIPICOLINATE COMPLEX AT 1.51 A RESOLUTION.
Descriptor:LYSOZYME C, EUROPIUM (III) ION, 4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ...
Authors:Talon, R., Kahn, R., Gautier, A., Nauton, L., Girard, E.
Deposit date:2012-09-14
Release date:2012-11-14
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.507 Å)
Cite:Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
4BAL
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THAUMATIN FROM THAUMATOCOCCUS DANIELLII STRUCTURE IN COMPLEX WITH THE EUROPIUM TRIS-HYDROXYMETHYLTRIAZOLEDIPICOLINATE COMPLEX AT 1.30 A RESOLUTION.
Descriptor:THAUMATIN-1, 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, EUROPIUM (III) ION
Authors:Talon, R., Kahn, R., Gautier, A., Nauton, L., Girard, E.
Deposit date:2012-09-14
Release date:2012-11-14
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
4BAP
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HEN EGG-WHITE LYSOZYME STRUCTURE IN COMPLEX WITH THE EUROPIUM TRIS- HYDROXYETHYLCHOLINETRIAZOLEDIPICOLINATE COMPLEX AT 1.21 A RESOLUTION.
Descriptor:LYSOZYME C, N-((1-(2,6-DICARBOXYPYRIDIN-4-YL)-1H-1,2,3-TRIAZOL-4-YL)METHYL)-2-HYDROXY-N,N-DIMETHYLETHANAMINIUM, ACETATE ION, ...
Authors:Talon, R., Kahn, R., Gautier, A., Nauton, L., Girard, E.
Deposit date:2012-09-14
Release date:2012-11-14
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.207 Å)
Cite:Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
4BAR
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THAUMATIN FROM THAUMATOCOCCUS DANIELLII STRUCTURE IN COMPLEX WITH THE EUROPIUM TRIS-HYDROXYETHYLTRIAZOLEDIPICOLINATE COMPLEX AT 1.20 A RESOLUTION.
Descriptor:THAUMATIN-1, 4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, EUROPIUM (III) ION
Authors:Talon, R., Kahn, R., Gautier, A., Nauton, L., Girard, E.
Deposit date:2012-09-14
Release date:2012-11-14
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Clicked europium dipicolinate complexes for protein X-ray structure determination.
Chem. Commun. (Camb.), 48, 2012
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