1OJO
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5UY0
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1HEW
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6BOR
| Human APE1 substrate complex with an G/G mismatch adjacent the THF | Descriptor: | 1,2-ETHANEDIOL, 21-mer DNA, CHLORIDE ION, ... | Authors: | Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S. | Deposit date: | 2017-11-20 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches. Acta Crystallogr D Struct Biol, 74, 2018
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5UQK
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4NLD
| Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | Descriptor: | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... | Authors: | Sheriff, S. | Deposit date: | 2013-11-14 | Release date: | 2014-03-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase. J.Med.Chem., 57, 2014
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4ARA
| Mus musculus Acetylcholinesterase in complex with (R)-C5685 at 2.5 A resolution. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ... | Authors: | Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A. | Deposit date: | 2012-04-23 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase. Angew.Chem.Int.Ed.Engl., 51, 2012
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428D
| STRUCTURE OF THE POTASSIUM FORM OF CGCGAATTCGCG: DNA DEFORMATION BY ELECTROSTATIC COLLAPSE AROUND SMALL CATIONS | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE | Authors: | Shui, X, Sines, C.C, McFail-Isom, L, VanDerveer, D, Williams, L.D. | Deposit date: | 1998-09-28 | Release date: | 1998-10-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the potassium form of CGCGAATTCGCG: DNA deformation by electrostatic collapse around inorganic cations. Biochemistry, 37, 1998
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1CVU
| CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, ... | Authors: | Kiefer, J.R, Pawlitz, J.L, Moreland, K.T, Stegeman, R.A, Gierse, J.K, Stevens, A.M, Goodwin, D.C, Rowlinson, S.W, Marnett, L.J, Stallings, W.C, Kurumbail, R.G. | Deposit date: | 1999-08-24 | Release date: | 2000-05-16 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the stereochemistry of the cyclooxygenase reaction. Nature, 405, 2000
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1R64
| The 2.2 A crystal structure of Kex2 protease in complex with Ac-Arg-Glu-Lys-boroArg peptidyl boronic acid inhibitor | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Holyoak, T, Kettner, C.A, Petsko, G.A, Fuller, R.S, Ringe, D. | Deposit date: | 2003-10-14 | Release date: | 2004-03-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Differences in Substrate Selectivity in Kex2 and Furin Protein Convertases Biochemistry, 43, 2004
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7Z3J
| Structure of crystallisable rat Phospholipase C gamma 1 in complex with inositol 1,4,5-trisphosphate | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ... | Authors: | Pinotsis, N, Bunney, T.D, Katan, M. | Deposit date: | 2022-03-02 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of the membrane interactions of phospholipase C gamma reveals key features of the active enzyme. Sci Adv, 8, 2022
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3GAL
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425D
| 5'-D(*AP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*T)-3' | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*T)-3') | Authors: | Rozenberg, H, Rabinovich, D, Frolow, F, Hegde, R.S, Shakked, Z. | Deposit date: | 1998-09-14 | Release date: | 1999-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural code for DNA recognition revealed in crystal structures of papillomavirus E2-DNA targets. Proc.Natl.Acad.Sci.USA, 95, 1998
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3KL0
| Crystal structure of the glucuronoxylan xylanohydrolase XynC from Bacillus subtilis | Descriptor: | D(-)-TARTARIC ACID, Glucuronoxylanase xynC, HISTIDINE, ... | Authors: | St John, F.J, Hurlbert, J.C, Pozharski, E. | Deposit date: | 2009-11-06 | Release date: | 2010-12-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase. J.Mol.Biol., 407, 2011
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4N6P
| Crystal Structure of C-lobe of Bovine lactoferrin complexed with meclofenamic acid at 1.4 A resolution | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gautam, L, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-10-14 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structre of C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH MECLOFENAMIC ACID AT 1.4 A RESOLUTION TO BE PUBLISHED
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4C2O
| Crystal structure of human testis angiotensin-I converting enzyme mutant D465T | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | Authors: | Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2013-08-19 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace) J.Biol.Chem., 289, 2014
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1FH8
| CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED ISOFAGOMINE INHIBITOR | Descriptor: | BETA-1,4-XYLANASE, PIPERIDINE-3,4-DIOL, beta-D-xylopyranose | Authors: | Notenboom, V, Williams, S.J, Hoos, R, Withers, S.G, Rose, D.R. | Deposit date: | 2000-07-31 | Release date: | 2000-08-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Detailed structural analysis of glycosidase/inhibitor interactions: complexes of Cex from Cellulomonas fimi with xylobiose-derived aza-sugars. Biochemistry, 39, 2000
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3KVY
| Trapping of an oxocarbenium ion intermediate in UP crystals | Descriptor: | 1,4-anhydro-D-erythro-pent-1-enitol, SULFATE ION, URACIL, ... | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Glycal formation in crystals of uridine phosphorylase. Biochemistry, 49, 2010
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5F5C
| Crystal Structure of human JMJD2D complexed with KDOPP7 | Descriptor: | 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ... | Authors: | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-04 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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1W1A
| Structure of Bacillus subtilis PdaA in complex with NAG, a family 4 Carbohydrate esterase. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, CADMIUM ION, GLYCEROL, ... | Authors: | Blair, D.E, van Aalten, D.M.F. | Deposit date: | 2004-06-18 | Release date: | 2005-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine. FEBS Lett., 570, 2004
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4BZR
| Human testis angiotensin converting enzyme in complex with K-26 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | Authors: | Kramer, G.J, Mohd, A, Schwager, S.L.U, Masuyer, G, Acharya, K.R, Sturrock, E.D, Bachmann, B.O. | Deposit date: | 2013-07-29 | Release date: | 2014-02-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Interkingdom Pharmacology of Angiotensin-I Converting Enzyme Inhibitor Phosphonates Produced by Actinomycetes Acs Med.Chem.Lett., 5, 2014
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1OJN
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3JTC
| Importance of Mg2+ in the Ca2+-Dependent Folding of the gamma-Carboxyglutamic Acid Domains of Vitamin K-Dependent clotting and anticlotting Proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endothelial protein C receptor, ... | Authors: | Bajaj, S.P, Vadivel, K, Agah, S, Cascio, D, Krishnaswamy, S, Esmon, C, Padmanabhan, K. | Deposit date: | 2009-09-11 | Release date: | 2011-04-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Functional Studies of gamma-Carboxyglutamic Acid Domains of Factor VIIa and Activated Protein C: Role of Magnesium at Physiological Calcium. J.Mol.Biol., 425, 2013
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6J8H
| Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
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1OJP
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