4I7R
 
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2XAC
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7KIA
 | | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | | Descriptor: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | | Deposit date: | 2020-10-23 | | Release date: | 2021-02-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
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1PPK
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2WUF
 | | Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with 4,9DSHA | | Descriptor: | (3E,5R)-8-[(1S,3AR,4R,7AS)-1-HYDROXY-7A-METHYL-5-OXOOCTAHYDRO-1H-INDEN-4-YL]-5-METHYL-2,6-DIOXOOCT-3-ENOATE, 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, ... | | Authors: | Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R, Sim, E, Eltis, L.D. | | Deposit date: | 2009-10-02 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
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4HZG
 | | Structure of haloalkane dehalogenase DhaA from Rhodococcus rhodochrous | | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Stsiapanava, A, Weiss, M.S, Mesters, J.R, Kuta Smatanova, I. | | Deposit date: | 2012-11-15 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Acta Crystallogr.,Sect.D, 70, 2014
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3FOQ
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5AWD
 | | Crystal structure of human TLR8 in complex with N1-4-aminomethylbenzyl (IMDQ) | | Descriptor: | 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2015-07-03 | | Release date: | 2015-09-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Based Design of Human TLR8-Specific Agonists with Augmented Potency and Adjuvanticity.
J.Med.Chem., 58, 2015
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3F88
 | | glycogen synthase Kinase 3beta inhibitor complex | | Descriptor: | 3-methylbenzonitrile, 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione, Glycogen synthase kinase-3 beta | | Authors: | Mol, C.D, Dougan, D.R. | | Deposit date: | 2008-11-11 | | Release date: | 2009-03-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17, 2009
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4LL5
 | | Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002 | | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, GLYCEROL, ... | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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1BAY
 | | GLUTATHIONE S-TRANSFERASE YFYF CYS 47-CARBOXYMETHYLATED CLASS PI, FREE ENZYME | | Descriptor: | GLUTATHIONE S-TRANSFERASE CLASS PI | | Authors: | Vega, M.C, Coll, M. | | Deposit date: | 1996-11-02 | | Release date: | 1997-11-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The three-dimensional structure of Cys-47-modified mouse liver glutathione S-transferase P1-1. Carboxymethylation dramatically decreases the affinity for glutathione and is associated with a loss of electron density in the alphaB-310B region.
J.Biol.Chem., 273, 1998
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2PHN
 | | Crystal structure of an amide bond forming F420-gamma glutamyl ligase from Archaeoglobus fulgidus | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, F420-0:gamma-glutamyl ligase, ... | | Authors: | Nocek, B, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-04-11 | | Release date: | 2007-05-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of an Amide Bond Forming F(420):gammagamma-glutamyl Ligase from Archaeoglobus Fulgidus - A Member of a New Family of Non-ribosomal Peptide Synthases.
J.Mol.Biol., 372, 2007
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3RHT
 | | Crystal structure of type 1 glutamine amidotransferase (GATase1)-like protein from Planctomyces limnophilus | | Descriptor: | (GATase1)-like protein, ACETATE ION, CALCIUM ION, ... | | Authors: | Michalska, K, Li, H, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-04-12 | | Release date: | 2011-04-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of type 1 glutamine amidotransferase (GATase1)-like protein from Planctomyces limnophilus
To be Published
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2QZS
 | | Crystal Structure of Wild-type E.coli GS in complex with ADP and Glucose(wtGSb) | | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, ADENOSINE-5'-DIPHOSPHATE, alpha-D-glucopyranose, ... | | Authors: | Sheng, F, Geiger, J. | | Deposit date: | 2007-08-17 | | Release date: | 2008-09-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase.
J.Biol.Chem., 284, 2009
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1PXK
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide | | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2003-07-04 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
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1W1H
 | | Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION | | Authors: | Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2004-06-21 | | Release date: | 2004-11-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
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7EW0
 | | Cryo-EM structure of ozanimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | | Descriptor: | 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yuan, Y, Jia, G.W, Su, Z.M, Shao, Z.H. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-29 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
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3FSJ
 | | Crystal structure of benzoylformate decarboxylase in complex with the inhibitor MBP | | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CALCIUM ION | | Authors: | Brandt, G.S, Kenyon, G.L, McLeish, M.J, Jordan, F, Petsko, G.A, Ringe, D. | | Deposit date: | 2009-01-09 | | Release date: | 2009-01-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor.
Biochemistry, 48, 2009
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4LNG
 | | Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and tipifarnib | | Descriptor: | 1,2-ETHANEDIOL, 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, CaaX farnesyltransferase alpha subunit Ram2, ... | | Authors: | Mabanglo, M.F, Hast, M.A, Beese, L.S. | | Deposit date: | 2013-07-11 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
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4LNT
 | | Crystal Structure of tRNA Proline (CGG) Bound to Codon CCC-U on the Ribosome | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | | Deposit date: | 2013-07-12 | | Release date: | 2014-08-06 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7JV1
 | | Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ... | | Authors: | Khan, Z.M, Dar, A.C, Scopton, A.P. | | Deposit date: | 2020-08-20 | | Release date: | 2020-09-30 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
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1IF8
 | | Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide | | Descriptor: | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | | Deposit date: | 2001-04-12 | | Release date: | 2001-05-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002
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3BWV
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4OKG
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1PXL
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine | | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2003-07-04 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
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