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2FUM
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BU of 2fum by Molmil
Catalytic domain of protein kinase PknB from Mycobacterium tuberculosis in complex with mitoxantrone
Descriptor: 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Probable serine/threonine-protein kinase pknB
Authors:Wehenkel, A, Alzari, P.M.
Deposit date:2006-01-27
Release date:2006-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The structure of PknB in complex with mitoxantrone, an ATP-competitive inhibitor, suggests a mode of protein kinase regulation in mycobacteria
Febs Lett., 580, 2006
4XLD
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BU of 4xld by Molmil
Crystal structure of the human PPARg-LBD/rosiglitazone complex obtained by dry co-crystallization and in situ diffraction
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), FORMIC ACID, ...
Authors:Delfosse, V, Guichou, J.-F.
Deposit date:2015-01-13
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
3RDC
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BU of 3rdc by Molmil
Human Cyclophilin D Complexed with an Inhibitor
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
Authors:Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
Deposit date:2011-04-01
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
6HJ2
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BU of 6hj2 by Molmil
Crystal structure of hPXR in complex with dabrafenib
Descriptor: Dabrafenib, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
Authors:Granell, M, Delfosse, V, Bourguet, W.
Deposit date:2018-08-31
Release date:2020-03-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.
J.Med.Chem., 65, 2022
3UU7
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BU of 3uu7 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A
Descriptor: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen receptor, Nuclear receptor coactivator 1
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2011-11-28
Release date:2012-08-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UUC
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BU of 3uuc by Molmil
Crystal structure of hERa-LBD (wt) in complex with bisphenol-C
Descriptor: 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol, Estrogen receptor
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2011-11-28
Release date:2012-08-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
2M9K
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BU of 2m9k by Molmil
RBPMS2-Nter
Descriptor: RNA-binding protein with multiple splicing 2
Authors:Yang, Y.
Deposit date:2013-06-12
Release date:2014-10-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Homodimerization of RBPMS2 through a new RRM-interaction motif is necessary to control smooth muscle plasticity.
Nucleic Acids Res., 42, 2014
3UUA
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BU of 3uua by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF
Descriptor: 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 1
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2011-11-28
Release date:2012-08-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UUD
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BU of 3uud by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with estradiol
Descriptor: 1,2-ETHANEDIOL, ESTRADIOL, Estrogen receptor, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2011-11-28
Release date:2012-08-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
3H0F
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BU of 3h0f by Molmil
Crystal structure of the human Fyn SH3 R96W mutant
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Proto-oncogene tyrosine-protein kinase Fyn
Authors:Ponchon, L, Hoh, F, Labesse, G, Dumas, C, Arold, S.T.
Deposit date:2009-04-09
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
1G3U
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BU of 1g3u by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP)
Descriptor: MAGNESIUM ION, SULFATE ION, THYMIDINE-5'-PHOSPHATE, ...
Authors:Li de la Sierra, I, Munier-Lehmann, H, Gilles, A.M, Barzu, O, Delarue, M.
Deposit date:2000-10-25
Release date:2001-10-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray structure of TMP kinase from Mycobacterium tuberculosis complexed with TMP at 1.95 A resolution.
J.Mol.Biol., 311, 2001
1QJV
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BU of 1qjv by Molmil
Pectin methylesterase PemA from Erwinia chrysanthemi
Descriptor: CHLORIDE ION, PECTIN METHYLESTERASE
Authors:Jenkins, J, Mayans, O, Smith, D, Worboys, K, Pickersgill, R.
Deposit date:1999-07-05
Release date:2000-07-14
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Three-Dimensional Structure of Erwinia Chrysanthemi Pectin Methylesterase Reveals a Novel Esterase Active Site
J.Mol.Biol., 305, 2001
6QTL
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BU of 6qtl by Molmil
Caffeine recognizing nanobody
Descriptor: CAFFEINE, VHH
Authors:Lesne, J, Guichou, J.F, Labesse, G, Cohen-Gonsaud, M.
Deposit date:2019-02-25
Release date:2019-04-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for chemically-induced homodimerization of a single domain antibody
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