6Y5C
 
 | | The crystal structure of glycogen phosphorylase in complex with 52 | | Descriptor: | 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | | Authors: | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2020-02-25 | | Release date: | 2020-08-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
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6D6G
 | | Triclinic lysozyme (295 K) in the presence of 47% MPD | | Descriptor: | Lysozyme C, NITRATE ION | | Authors: | Juers, D.H. | | Deposit date: | 2018-04-20 | | Release date: | 2018-09-19 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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2IPG
 | | Crystal structure of 17alpha-hydroxysteroid dehydrogenase mutant K31A in complex with NADP+ and epi-testosterone | | Descriptor: | (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, 1,2-ETHANEDIOL, 3(17)alpha-hydroxysteroid dehydrogenase, ... | | Authors: | Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Lemieux, M, Luu-the, V, Labrie, F, Breton, R. | | Deposit date: | 2006-10-12 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.
J.Mol.Biol., 369, 2007
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3IAP
 | | E. coli (lacZ) beta-galactosidase (E416Q) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E. | | Deposit date: | 2009-07-14 | | Release date: | 2009-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry
Protein J., 29, 2010
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6DBE
 | | Crystal Structure of VHH R330 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, nanobody VHH R303 | | Authors: | Brooks, C.L, Toride King, M, Huh, I. | | Deposit date: | 2018-05-03 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
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8B1T
 | | RecBCD-DNA in complex with the phage protein Abc2 | | Descriptor: | Anti-RecBCD protein 2, DNA (70-MER), MAGNESIUM ION, ... | | Authors: | Wilkinson, M, Wilkinson, O.J, Feyerherm, C, Fletcher, E.E, Wigley, D.B, Dillingham, M.S. | | Deposit date: | 2022-09-12 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of RecBCD in complex with phage-encoded inhibitor proteins reveal distinctive strategies for evasion of a bacterial immunity hub.
Elife, 11, 2022
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2IUK
 | | Crystal structure of Soybean Lipoxygenase-D | | Descriptor: | FE (III) ION, SEED LIPOXYGENASE | | Authors: | Youn, B, Sellhorn, G.E, Mirchel, R.J, Gaffney, B.J, Grimes, H.D, Kang, C. | | Deposit date: | 2006-06-05 | | Release date: | 2006-10-11 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Vegetative Soybean Lipoxygenase Vlx-B and Vlx-D, and Comparisons with Seed Isoforms Lox-1 and Lox-3.
Proteins, 65, 2006
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6Y8S
 | | Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate gamma-butyrobetaine | | Descriptor: | 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | | Deposit date: | 2020-03-05 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.629 Å) | | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
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2J13
 | | Structure of a family 4 carbohydrate esterase from Bacillus anthracis | | Descriptor: | ACETATE ION, CACODYLATE ION, POLYSACCHARIDE DEACETYLASE, ... | | Authors: | Gloster, T.M, Oberbarnscheidt, L, Taylor, E.J, Davies, G.J. | | Deposit date: | 2006-08-08 | | Release date: | 2006-10-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of a Carbohydrate Esterase from Bacillus Anthracis.
Proteins: Struct., Funct., Bioinf., 66, 2007
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2ID2
 | | GAPN T244S mutant X-ray structure at 2.5 A | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | | Authors: | Pailot, A, D'Ambrosio, K, Corbier, C, Talfournier, F, Branlant, G. | | Deposit date: | 2006-09-14 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Invariant Thr(244) is essential for the efficient acylation step of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase from Streptococcus mutans.
Biochem.J., 400, 2006
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6DDT
 | | mouse beta-mannosidase (MANBA) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gytz, H, Liang, J, Liang, Y, Gorelik, A, Illes, K, Nagar, B. | | Deposit date: | 2018-05-10 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of mammalian beta-mannosidase provides insight into beta-mannosidosis and nystagmus.
FEBS J., 286, 2019
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8AAZ
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2MQ1
 | | Phosphotyrosine binding domain | | Descriptor: | E3 ubiquitin-protein ligase Hakai, ZINC ION | | Authors: | Mukherjee, M, Jing-Song, F, Sivaraman, J. | | Deposit date: | 2014-06-11 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Dimeric switch of Hakai-truncated monomers during substrate recognition: insights from solution studies and NMR structure.
J.Biol.Chem., 289, 2014
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2IJ3
 | | Structure of the A264H mutant of cytochrome P450 BM3 | | Descriptor: | Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Toogood, H.S, Leys, D. | | Deposit date: | 2006-09-29 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
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3IJI
 | | Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Ala-D-Glu; nonproductive substrate binding. | | Descriptor: | ALANINE, D-GLUTAMIC ACID, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-08-04 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3II9
 | | Crystal structure of glutaryl-coa dehydrogenase from Burkholderia pseudomallei at 1.73 Angstrom | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glutaryl-CoA dehydrogenase, ... | | Authors: | Ismagilov, R.F, Li, L, Du, W.B, Staker, B, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-07-31 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | User-loaded SlipChip for equipment-free multiplexed nanoliter-scale experiments.
J.Am.Chem.Soc., 132, 2010
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3IK4
 | | CRYSTAL STRUCTURE OF mandelate racemase/muconate lactonizing protein from Herpetosiphon aurantiacus | | Descriptor: | GLYCEROL, Mandelate racemase/muconate lactonizing protein, POTASSIUM ION | | Authors: | Patskovsky, Y, Toro, R, Dickey, M, Iizuka, M, Sauder, J.M, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-08-05 | | Release date: | 2009-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3IJ8
 | | Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase | | Descriptor: | (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 5-fluoro-alpha-L-idopyranose, CALCIUM ION, ... | | Authors: | Li, C, Zhang, R, Withers, S.G, Brayer, G.D. | | Deposit date: | 2009-08-04 | | Release date: | 2009-10-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
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3IJU
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8AG6
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3IMF
 | | 1.99 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' | | Descriptor: | ACETATE ION, Short chain dehydrogenase | | Authors: | Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Gordon, E, Peterson, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-08-10 | | Release date: | 2009-08-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 1.99 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor'
To be Published
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8AI7
 | | Structure of carbamoylated human butyrylcholinesterase upon reaction with 3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl N,N-dimethylcarbamate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol, ... | | Authors: | Brazzolotto, X, Meden, A, Knez, D, Gobec, S, Nachon, F. | | Deposit date: | 2022-07-25 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead.
Eur.J.Med.Chem., 247, 2023
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5P9Z
 | | humanized rat COMT in complex with 6-(4-fluorophenyl)quinazolin-8-ol | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 6-(4-fluorophenyl)quinazolin-8-ol, CHLORIDE ION, ... | | Authors: | Ehler, A, Lerner, C, Rudolph, M.G. | | Deposit date: | 2016-10-19 | | Release date: | 2017-11-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of a COMT complex
To be published
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2IEM
 | | Solution structure of an oxidized form (Cys51-Cys198) of E. coli Methionine Sulfoxide Reductase A (MsrA) | | Descriptor: | Peptide methionine sulfoxide reductase msrA | | Authors: | Coudevylle, N, Antoine, M, Bouguet-Bonnet, S, Mutzenhardt, P, Boschi-Muller, S, Branlant, G, Cung, M.T. | | Deposit date: | 2006-09-19 | | Release date: | 2007-02-13 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Backbone Dynamics of the Reduced Form and an Oxidized Form of E. coli Methionine Sulfoxide Reductase A (MsrA): Structural Insight of the MsrA Catalytic Cycle.
J.Mol.Biol., 366, 2007
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2MYY
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