1VC4
 
 | | Crystal Structure of Indole-3-Glycerol Phosphate Synthase (TrpC) from Thermus Thermophilus At 1.8 A Resolution | | Descriptor: | ACETIC ACID, GLYCEROL, Indole-3-Glycerol Phosphate Synthase, ... | | Authors: | Bagautdinov, B, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-03-04 | | Release date: | 2004-03-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of indole-3-glycerol phosphate synthase from Thermus thermophilus HB8: implications for thermal stability.
Acta Crystallogr.,Sect.D, 67, 2011
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4F66
 | | The crystal structure of 6-phospho-beta-glucosidase from Streptococcus mutans UA159 in complex with beta-D-glucose-6-phosphate. | | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, FORMIC ACID, ... | | Authors: | Tan, K, Michalska, K, Hatzos-Skintges, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-05-14 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.479 Å) | | Cite: | GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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7KXZ
 | | Active conformation of EGFR kinase in complex with BI-4020 | | Descriptor: | (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one, CHLORIDE ION, Epidermal growth factor receptor | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2020-12-06 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Analysis of the Macrocyclic Inhibitor BI-4020 Binding to EGFR Kinase.
Chemmedchem, 2024
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3R1I
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2B7U
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4F7F
 | | Structure of Anopheles gambiae odorant binding protein 20 | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, AGAP005208-PA, NONAETHYLENE GLYCOL | | Authors: | Jones, D.N, Ziemba, B.P. | | Deposit date: | 2012-05-16 | | Release date: | 2012-10-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel mechanism of ligand binding and release in the odorant binding protein 20 from the malaria mosquito Anopheles gambiae.
Protein Sci., 22, 2013
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7KY0
 | | Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020 | | Descriptor: | (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one, Epidermal growth factor receptor | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2020-12-06 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Analysis of the Macrocyclic Inhibitor BI-4020 Binding to EGFR Kinase.
Chemmedchem, 2024
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3CEM
 | | Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423 | | Descriptor: | 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Glycogen phosphorylase, liver form, ... | | Authors: | Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. | | Deposit date: | 2008-02-29 | | Release date: | 2008-05-27 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
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4QMM
 | | MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM | | Descriptor: | 1,2-ETHANEDIOL, 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, ACETATE ION, ... | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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1JE0
 | | CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH PHOSPHATE AND TRIS MOLECULE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-METHYLTHIOADENOSINE PHOSPHORYLASE, PHOSPHATE ION | | Authors: | Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | | Deposit date: | 2001-06-15 | | Release date: | 2001-10-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
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7L5C
 | | Structure of copper bound MEMO1 | | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, GLYCEROL, ... | | Authors: | Boniecki, M.T, Uhlemann, E.E, Dmitriev, O.Y. | | Deposit date: | 2020-12-21 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | MEMO1 binds iron and modulates iron homeostasis in cancer cells.
Elife, 13, 2024
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1M8L
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2YK4
 | | Structure of Neisseria LOS-specific sialyltransferase (NST). | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, ... | | Authors: | Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2011-05-25 | | Release date: | 2011-08-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis
J.Biol.Chem., 286, 2011
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3EFW
 | | Structure of AuroraA with pyridyl-pyrimidine urea inhibitor | | Descriptor: | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6 | | Authors: | Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D. | | Deposit date: | 2008-09-10 | | Release date: | 2008-12-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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3RL4
 | | Rat metallophosphodiesterase MPPED2 G252H Mutant | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, ... | | Authors: | Podobnik, M, Dermol, U. | | Deposit date: | 2011-04-19 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
J.Mol.Biol., 412, 2011
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4DGE
 | | TRIMCyp cyclophilin domain from Macaca mulatta: H70C mutant, HIV-1 CA(O-loop) complex | | Descriptor: | TRIMCyp, capsid protein | | Authors: | Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C. | | Deposit date: | 2012-01-25 | | Release date: | 2012-02-08 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
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4QJ0
 | | Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2014-06-03 | | Release date: | 2015-04-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
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5TAP
 | | Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, all particles) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-10 | | Release date: | 2016-10-12 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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1PZ4
 | | The structural determination of an insect (mosquito) Sterol Carrier Protein-2 with a ligand bound C16 Fatty Acid at 1.35 A resolution | | Descriptor: | PALMITIC ACID, sterol carrier protein 2 | | Authors: | Dyer, D.H, Lovell, S, Thoden, J.B, Holden, H.M, Rayment, I, Lan, Q. | | Deposit date: | 2003-07-09 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Structural Determination of an Insect Sterol Carrier Protein-2 with a Ligand-bound C16 Fatty Acid at 1.35A Resolution
J.Biol.Chem., 278, 2003
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4A35
 | | Crystal structure of human Mitochondrial enolase superfamily member 1 (ENOSF1) | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MITOCHONDRIAL ENOLASE SUPERFAMILY MEMBER 1 | | Authors: | Muniz, J.R.C, Froese, D.S, Krojer, T, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Yue, W.W. | | Deposit date: | 2011-09-30 | | Release date: | 2011-10-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Enzymatic and structural characterization of rTS gamma provides insights into the function of rTS beta.
Biochemistry, 53, 2014
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4FAI
 | | Crystal structure of mitochondrial isoform of glutaminyl cyclase from Drosophila melanogaster | | Descriptor: | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, CG5976, isoform B, ... | | Authors: | Kolenko, P, Koch, B, Ruiz-Carilo, D, Stubbs, M.T. | | Deposit date: | 2012-05-22 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs.
Biochemistry, 51, 2012
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3P1D
 | | Crystal structure of the bromodomain of human CREBBP in complex with N-Methyl-2-pyrrolidone (NMP) | | Descriptor: | 1-methylpyrrolidin-2-one, CREB-binding protein, POTASSIUM ION, ... | | Authors: | Filippakopoulos, P, Picaud, S, Feletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-30 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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7LEO
 | | C1B domain of Protein kinase C in complex with diacylglycerol-lactone (AJH-836) and 1,2-diheptanoyl-sn-glycero-3-phosphocholine | | Descriptor: | (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ... | | Authors: | Katti, S.S, Krieger, I. | | Deposit date: | 2021-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
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2YL8
 | | Inhibition of the pneumococcal virulence factor StrH and molecular insights into N-glycan recognition and hydrolysis | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, BETA-N-ACETYLHEXOSAMINIDASE, ... | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-05-31 | | Release date: | 2011-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
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3CJY
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