4ANV
 
 | | Complexes of PI3Kgamma with isoform selective inhibitors. | | Descriptor: | 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | Authors: | Foster, P.G, Lougheed, J.C. | | Deposit date: | 2012-03-22 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
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4ANW
 | | Complexes of PI3Kgamma with isoform selective inhibitors. | | Descriptor: | 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | Authors: | Foster, P.G, Lougheed, J.C. | | Deposit date: | 2012-03-22 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
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4ANX
 | | Complexes of PI3Kgamma with isoform selective inhibitors. | | Descriptor: | 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | Authors: | Foster, P.G, Lougheed, J.C. | | Deposit date: | 2012-03-22 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
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4ANU
 | | Complexes of PI3Kgamma with isoform selective inhibitors. | | Descriptor: | 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | Authors: | Foster, P.G, Lougheed, J.C. | | Deposit date: | 2012-03-22 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
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7RG6
 | | Importin alpha2 in complex with ORF4B Bat coronavirus HKU5 | | Descriptor: | Importin subunit alpha-1, Non-structural protein ORF4b | | Authors: | Foster, J.K, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | | Deposit date: | 2021-07-14 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
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9FZH
 | | Crystal structure of the hPXR-LBD in complex with compound JMV6995 | | Descriptor: | 2-(1-adamantyl)-~{N}-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptyl]ethanamide, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Delfosse, V, Bourguet, W. | | Deposit date: | 2024-07-05 | | Release date: | 2025-02-19 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A two-in-one expression construct for biophysical and structural studies of the human pregnane X receptor ligand-binding domain, a pharmaceutical and environmental target.
Acta Crystallogr.,Sect.F, 81, 2025
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9FZG
 | | Crystal structure of the hPXR-LBD in complex with compound JMV7035 | | Descriptor: | 2-(1-adamantyl)-~{N}-[2-[2-[2-oxidanylidene-2-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptylamino]ethoxy]ethoxy]ethyl]ethanamide, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Delfosse, V, Bourguet, W. | | Deposit date: | 2024-07-05 | | Release date: | 2025-02-19 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A two-in-one expression construct for biophysical and structural studies of the human pregnane X receptor ligand-binding domain, a pharmaceutical and environmental target.
Acta Crystallogr.,Sect.F, 81, 2025
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5VXB
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3SPW
 | | Structure of Osh4p/Kes1p in complex with phosphatidylinositol 4-phosphate | | Descriptor: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, Protein KES1 | | Authors: | Delfosse, V, de Saint-Jean, M, Douguet, D, Antonny, B, Drin, G, Bourguet, W. | | Deposit date: | 2011-07-04 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Osh4p exchanges sterols for phosphatidylinositol 4-phosphate between lipid bilayers.
J.Cell Biol., 195, 2011
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4XLD
 | | 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
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9EX4
 | | CryoEM structure of sTeLIC nanodisc in complex with fluorinated fos-choline-8 in open state | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cys-loop ligand-gated ion channel, HEXANE, ... | | Authors: | Fan, C, Howard, R.J, Lindahl, E. | | Deposit date: | 2024-04-05 | | Release date: | 2025-03-26 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Vestibular modulation by stimulant derivatives in a pentameric ligand-gated ion channel.
Br.J.Pharmacol., 182, 2025
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1BC7
 | | SERUM RESPONSE FACTOR ACCESSORY PROTEIN 1A (SAP-1)/DNA COMPLEX | | Descriptor: | DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*TP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*AP*GP*GP*AP*TP*GP*TP*G)-3'), PROTEIN (ETS-DOMAIN PROTEIN) | | Authors: | Mo, Y, Vaessen, B, Johnston, K, Marmorstein, R. | | Deposit date: | 1998-05-05 | | Release date: | 1999-01-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structures of SAP-1 bound to DNA targets from the E74 and c-fos promoters: insights into DNA sequence discrimination by Ets proteins.
Mol.Cell, 2, 1998
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3K19
 | | OmpF porin | | Descriptor: | Outer membrane protein F | | Authors: | Kefala, G, Ahn, C, Krupa, M, Maslennikov, I, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2009-09-26 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | Structures of the OmpF porin crystallized in the presence of foscholine-12.
Protein Sci., 19, 2010
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3K1B
 | | Structure of OmpF porin | | Descriptor: | Outer membrane protein F | | Authors: | Kefala, G, Ahn, C, Krupa, M, Maslennikov, I, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2009-09-26 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (4.39 Å) | | Cite: | Structures of the OmpF porin crystallized in the presence of foscholine-12.
Protein Sci., 19, 2010
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3SCH
 | | Co(II)-HppE with R-HPP | | Descriptor: | COBALT (II) ION, Epoxidase, [(2R)-2-hydroxypropyl]phosphonic acid | | Authors: | Drennan, C.L. | | Deposit date: | 2011-06-07 | | Release date: | 2011-07-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of regiospecificity of a mononuclear iron enzyme in antibiotic fosfomycin biosynthesis.
J.Am.Chem.Soc., 133, 2011
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3LTH
 | | E. cloacae MurA dead-end complex with UNAG and fosfomycin | | Descriptor: | UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | | Authors: | Schonbrunn, E. | | Deposit date: | 2010-02-15 | | Release date: | 2010-05-05 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) .
Biochemistry, 49, 2010
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3KR6
 | | MurA dead-end complex with fosfomycin | | Descriptor: | UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | | Authors: | Schonbrunn, E. | | Deposit date: | 2009-11-17 | | Release date: | 2010-04-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) .
Biochemistry, 49, 2010
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1WV0
 | | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site | | Descriptor: | 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ... | | Authors: | Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E. | | Deposit date: | 2004-12-10 | | Release date: | 2005-12-10 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
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9KP9
 | | PfDXR - Mn2+ - NADPH - TAKK443 quaternary complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, MANGANESE (II) ION, ... | | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | | Deposit date: | 2024-11-22 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Expanding the Chemical Space of Reverse Fosmidomycin Analogs.
Acs Med.Chem.Lett., 16, 2025
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1JVI
 | | THE 2.2 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/RIBOSILHOMOCYSTEINE COMPLEX | | Descriptor: | (2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ... | | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2001-08-30 | | Release date: | 2001-10-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS
J.Mol.Biol., 313, 2001
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1WUT
 | | Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes | | Descriptor: | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form | | Authors: | Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.-J, Herling, A.W, Oikonomakos, N.G, Kosmopoulou, M.N, Schmoll, D, Sarubbi, E, von Roedern, E, Schonafinger, K, Defossa, E. | | Deposit date: | 2004-12-08 | | Release date: | 2005-12-08 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
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7RTY
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6MH5
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1JQW
 | | THE 2.3 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/HOMOCYSTEINE COMPLEX | | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ZINC ION | | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2001-08-09 | | Release date: | 2001-10-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS
J.Mol.Biol., 313, 2001
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6B2Z
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