5T7M
| LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-TRP | Descriptor: | ACETATE ION, Chemotaxis protein, SODIUM ION, ... | Authors: | Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | Deposit date: | 2016-09-05 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities Mbio, 2020
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5F2D
| Crystal structure of Staphylococcal nuclease variant Delta+PHS I92N/V99T at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Skerritt, L.A, Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B. | Deposit date: | 2015-12-01 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92N/V99T at cryogenic temperature To be Published
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3I7R
| Dihydrodipicolinate synthase - K161R | Descriptor: | CHLORIDE ION, Dihydrodipicolinate synthase, GLYCEROL, ... | Authors: | Dobson, R.C.J, Jameson, G.B, Gerrard, J.A, Soares da Costa, T.P. | Deposit date: | 2009-07-08 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | How essential is the 'essential' active-site lysine in dihydrodipicolinate synthase? Biochimie, 92, 2010
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3IU1
| Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA | Descriptor: | Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-29 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA To be Published
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3I7S
| Dihydrodipicolinate synthase mutant - K161A - with the substrate pyruvate bound in the active site. | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ... | Authors: | Dobson, R.C.J, Jameson, G.B, Gerrard, J.A, Soares da Costa, T.P. | Deposit date: | 2009-07-08 | Release date: | 2010-04-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | How essential is the 'essential' active-site lysine in dihydrodipicolinate synthase? Biochimie, 92, 2010
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3KB9
| Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W. | Deposit date: | 2009-10-20 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates Biochemistry, 49, 2010
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3KB7
| Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor | Descriptor: | 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, L(+)-TARTARIC ACID, Serine/threonine-protein kinase PLK1, ... | Authors: | Bossi, R.T, Bertrand, J.A. | Deposit date: | 2009-10-20 | Release date: | 2010-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors J.Med.Chem., 53, 2010
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3KFK
| Crystal structures of a group II chaperonin from Methanococcus maripaludis | Descriptor: | Chaperonin, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | Deposit date: | 2009-10-27 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (6.003 Å) | Cite: | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle. J.Biol.Chem., 285, 2010
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3L3P
| Crystal structure of the C-terminal domain of Shigella type III effector IpaH9.8, with a novel domain swap | Descriptor: | IpaH9.8 | Authors: | Seyedarabi, A, Sullivan, J.A, Sasakawa, C, Pickersgill, R.W. | Deposit date: | 2009-12-17 | Release date: | 2010-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A disulfide driven domain swap switches off the activity of Shigella IpaH9.8 E3 ligase Febs Lett., 584, 2010
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3L41
| Crystal Structure of S. pombe Brc1 BRCT5-BRCT6 domains in complex with phosphorylated H2A | Descriptor: | BRCT-containing protein 1, phosphorylated H2A tail | Authors: | Williams, R.S, Williams, J.S, Guenther, G, Tainer, J.A. | Deposit date: | 2009-12-18 | Release date: | 2010-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | gammaH2A binds Brc1 to maintain genome integrity during S-phase. Embo J., 29, 2010
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3KCG
| Crystal structure of the antithrombin-factor IXa-pentasaccharide complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, Antithrombin-III, ... | Authors: | Huntington, J.A, Johnson, D.J.D. | Deposit date: | 2009-10-21 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of factor IXa recognition by heparin-activated antithrombin revealed by a 1.7-A structure of the ternary complex. Proc.Natl.Acad.Sci.USA, 107, 2010
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5FUQ
| CRYSTAL STRUCTURE OF THE H80R VARIANT OF NQO1 BOUND TO DICOUMAROL | Descriptor: | ACETATE ION, BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Gavira, J.A, Medina-Carmona, E, Pey, A.L. | Deposit date: | 2016-01-29 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Enhanced vulnerability of human proteins towards disease-associated inactivation through divergent evolution. Hum.Mol.Genet., 26, 2017
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5FOZ
| De novo structure of the binary mosquito larvicide BinAB at pH 10 | Descriptor: | LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | Deposit date: | 2015-11-26 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure. Nature, 539, 2016
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3L2P
| Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching Between Two DNA Bound States | Descriptor: | 5'-D(*GP*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*CP*CP*G)-3', 5'-D(*GP*TP*CP*GP*GP*AP*CP*TP*G)-3', 5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*C)-3', ... | Authors: | Cotner-Gohara, E.A, Kim, I.K, Hammel, M, Tainer, J.A, Tomkinson, A, Ellenberger, T. | Deposit date: | 2009-12-15 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching between Two DNA-Bound States. Biochemistry, 49, 2010
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5G0U
| InhA in complex with a DNA encoded library hit | Descriptor: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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3KFB
| Crystal structure of a group II chaperonin from Methanococcus maripaludis | Descriptor: | Chaperonin, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | Deposit date: | 2009-10-27 | Release date: | 2010-06-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle. J.Biol.Chem., 285, 2010
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5FQQ
| Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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3KFE
| Crystal structures of a group II chaperonin from Methanococcus maripaludis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperonin, MAGNESIUM ION, ... | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | Deposit date: | 2009-10-27 | Release date: | 2010-06-23 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle. J.Biol.Chem., 285, 2010
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3K1G
| Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ser-L-Tyr | Descriptor: | Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-09-27 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 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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3JZT
| Structure of a cubic crystal form of X (ADRP) domain from FCoV with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, SODIUM ION, ... | Authors: | Wojdyla, J.A, Manolaridis, I, Tucker, P.A. | Deposit date: | 2009-09-24 | Release date: | 2010-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.91 Å) | Cite: | Structure of the X (ADRP) domain of nsp3 from feline coronavirus Acta Crystallogr.,Sect.D, 65, 2009
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3K8Z
| Crystal Structure of Gudb1 a decryptified secondary glutamate dehydrogenase from B. subtilis | Descriptor: | NAD-specific glutamate dehydrogenase | Authors: | Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J. | Deposit date: | 2009-10-15 | Release date: | 2010-06-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties J.Mol.Biol., 400, 2010
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3K92
| Crystal structure of a E93K mutant of the majour Bacillus subtilis glutamate dehydrogenase RocG | Descriptor: | DI(HYDROXYETHYL)ETHER, NAD-specific glutamate dehydrogenase | Authors: | Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J. | Deposit date: | 2009-10-15 | Release date: | 2010-06-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties J.Mol.Biol., 400, 2010
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5G3R
| Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc | Descriptor: | 2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, ... | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-04-30 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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3JW7
| Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ile-L-Tyr | Descriptor: | Dipeptide Epimerase, GLYCEROL, ISOLEUCINE, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-09-18 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 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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5FQK
| W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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