1UUB
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4ZJ1
| Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, DI(HYDROXYETHYL)ETHER, ... | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2015-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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1UUA
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2Y4Z
| Structure of the amino-terminal capsid restriction escape mutation N- MLV L10W | Descriptor: | CAPSID PROTEIN P30, GLYCEROL | Authors: | Goldstone, D.C, Holden-Dye, K, Ohkura, S, Stoye, J.P, Taylor, I.A. | Deposit date: | 2011-01-11 | Release date: | 2011-11-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Novel Escape Mutants Suggest an Extensive Trim5Alpha Binding Site Spanning the Entire Outer Surface of the Murine Leukemia Virus Capsid Protein. Plos Pathog., 7, 2011
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6L5G
| Crystal structure of yak lactoperoxidase with disordered heme moiety at 2.50 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Singh, P.K, Rani, C, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2019-10-23 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution. J.Biol.Inorg.Chem., 26, 2021
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6I46
| Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Descriptor: | (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | Deposit date: | 2018-11-09 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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4PFM
| SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, CITRATE ANION, GLYCEROL, ... | Authors: | Wubben, J.M, Paxman, J.J, Dogovski, C, Panjikar, S, Perugini, M.A. | Deposit date: | 2014-04-30 | Release date: | 2015-05-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.327 Å) | Cite: | Defining a Molecular Determinant of Lysine-Mediated Allosteric Inhibition of DHDPS. To Be Published
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5G3T
| The structure of the L-tryptophan oxidase VioA from Chromobacterium violaceum | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Krausze, J, Rabe, J, Moser, J. | Deposit date: | 2016-05-01 | Release date: | 2016-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biosynthesis of Violacein: Structure and Function of L-Tryptophan Oxidase Vioa Chromobacterium Violaceum J.Biol.Chem., 291, 2016
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1YNU
| Crystal structure of apple ACC synthase in complex with L-vinylglycine | Descriptor: | 1-aminocyclopropane-1-carboxylate synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID, ... | Authors: | Capitani, G, Tschopp, M, Eliot, A.C, Kirsch, J.F, Grutter, M.G. | Deposit date: | 2005-01-25 | Release date: | 2005-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of ACC synthase inactivated by the mechanism-based inhibitor L-vinylglycine. Febs Lett., 579, 2005
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1PPI
| THE ACTIVE CENTER OF A MAMMALIAN ALPHA-AMYLASE. THE STRUCTURE OF THE COMPLEX OF A PANCREATIC ALPHA-AMYLASE WITH A CARBOHYDRATE INHIBITOR REFINED TO 2.2 ANGSTROMS RESOLUTION | Descriptor: | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-beta-D-glucopyranose, ALPHA-AMYLASE, CALCIUM ION, ... | Authors: | Qian, M, Haser, R, Payan, F. | Deposit date: | 1994-02-22 | Release date: | 1995-05-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The active center of a mammalian alpha-amylase. Structure of the complex of a pancreatic alpha-amylase with a carbohydrate inhibitor refined to 2.2-A resolution. Biochemistry, 33, 1994
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7UZN
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP | Descriptor: | 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | Authors: | Sheriff, S. | Deposit date: | 2022-05-09 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.685 Å) | Cite: | Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties. Acs Med.Chem.Lett., 13, 2022
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1JFH
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1QIX
| Porcine pancreatic elastase complexed with human beta-casomorphin-7 | Descriptor: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE, ... | Authors: | Wilmouth, R.C, Clifton, I.J, Hajdu, J, Schofield, C.J. | Deposit date: | 1999-06-18 | Release date: | 1999-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Specific Acyl-Enzyme Complex Formed between Beta-Casomorphin-7 and Porcine Pancreatic Elastase Nat.Struct.Biol., 4, 1997
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4LRA
| Phosphopentomutase S154G variant | Descriptor: | GLYCEROL, MANGANESE (II) ION, Phosphopentomutase | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | Deposit date: | 2013-07-19 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
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4ZXX
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4HKW
| Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with Substrate and Products | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endo-1,4-beta-xylanase 2, ... | Authors: | Kovalevsky, A.Y, Wan, Q, Langan, P, Coates, L. | Deposit date: | 2012-10-15 | Release date: | 2014-01-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4LT4
| Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, GLYCEROL, ... | Authors: | Yamini, S, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-07-23 | Release date: | 2013-08-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution To be Published
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4LRC
| Phosphopentomutase V158L variant | Descriptor: | ACETATE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | Deposit date: | 2013-07-19 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
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4LR7
| Phosphopentomutase S154A variant | Descriptor: | GLYCEROL, MANGANESE (II) ION, Phosphopentomutase | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | Deposit date: | 2013-07-19 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
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4LGY
| Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight from Xenon Trapping and Statistical Coupling Analysis | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R. | Deposit date: | 2013-06-30 | Release date: | 2013-12-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis Plos One, 8, 2013
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6Y2F
| Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | Zhang, L, Lin, D, Sun, X, Hilgenfeld, R. | Deposit date: | 2020-02-15 | Release date: | 2020-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors. Science, 368, 2020
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4LRB
| Phosphopentomutase S154G variant soaked with 2,3-dideoxyribose 5-phosphate | Descriptor: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, GLYCEROL, ... | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | Deposit date: | 2013-07-19 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
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4LRO
| Crystal structure of spermidine inhibited Ribosome inactivating protein from Momordica balsamina | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SPERMIDINE, ... | Authors: | Yamini, S, Pandey, S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-07-20 | Release date: | 2013-08-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of spermidine inhibited Ribosome inactivating protein from Momordica balsamina To be Published
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4LWX
| Crystal structure of the complex of Ribosome inactivating protein from Momordica Balsamina with peptidoglycan fragment at 1.78 A resolution | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALANINE, ... | Authors: | Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-07-29 | Release date: | 2013-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of the complex of Ribosome inactivating protein from Momordica Balsamina with peptidoglycan fragment at 1.78 A resolution To be Published
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1G4I
| Crystal structure of the bovine pancreatic phospholipase A2 at 0.97A | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Steiner, R.A, Rozeboom, H.J, de Vries, A, Kalk, K.H, Murshudov, G.N, Wilson, K.S, Dijkstra, B.W. | Deposit date: | 2000-10-27 | Release date: | 2001-04-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | X-ray structure of bovine pancreatic phospholipase A2 at atomic resolution. Acta Crystallogr.,Sect.D, 57, 2001
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