4XQW
 
 | | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | Deposit date: | 2015-01-20 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4XRL
 | | Crystal structure at room temperature of Erk2 in complex with an inhibitor | | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-21 | | Release date: | 2016-03-23 | | Last modified: | 2016-03-30 | | Method: | X-RAY DIFFRACTION (2.554 Å) | | Cite: | Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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6BU7
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD130 1-[2-(Piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | | Descriptor: | 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | Deposit date: | 2017-12-08 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
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4XVQ
 | | H-Ras Y137E | | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Johnson, C.W, Mattos, C. | | Deposit date: | 2015-01-27 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.887 Å) | | Cite: | Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding.
Faseb J., 29, 2015
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6BRD
 | | Crystal structure of rifampin monooxygenase from Streptomyces venezuelae, complexed with rifampin and FAD | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Cox, G, Kelso, J, Stogios, P.J, Savchenko, A, Anderson, W.F, Wright, G.D, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-11-30 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Rox, a Rifamycin Resistance Enzyme with an Unprecedented Mechanism of Action.
Cell Chem Biol, 25, 2018
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6BSS
 | | JAK2 JH2 in complex with NU6102 | | Descriptor: | GLYCEROL, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, Tyrosine-protein kinase JAK2 | | Authors: | Puleo, D.E, Schlessinger, J. | | Deposit date: | 2017-12-04 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | JAK2 JH2 Binders
To Be Published
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4XPV
 | | Neutron and X-ray structure analysis of xylanase: N44D at pH6 | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | Deposit date: | 2015-01-18 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-27 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6BOU
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6BRE
 | | Hen Egg-White Lysozyme cocrystallized with Cadmium sulphate using CuKalpha source. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Sakon, J, Caviness, P, Jack, T, Pickens, J.B, Reed, P, Ruth, C. | | Deposit date: | 2017-11-30 | | Release date: | 2018-01-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Hen Egg-White Lysozyme (HEWL) cocrystallized with Cadmium sulphate.
To Be Published
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4XW7
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7BDZ
 | | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (1) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | | Authors: | Loreto, D, Merlino, A, Ferraro, G. | | Deposit date: | 2020-12-22 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
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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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7BE0
 | | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (2) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | | Authors: | Loreto, D, Merlino, A, Ferraro, G. | | Deposit date: | 2020-12-22 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
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4XMI
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5B0A
 | | Polyketide cyclase OAC from Cannabis sativa, H5Q mutant | | Descriptor: | Olivetolic acid cyclase | | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | | Deposit date: | 2015-10-28 | | Release date: | 2016-01-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
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2CCK
 | | CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDYLATE KINASE | | Authors: | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | | Deposit date: | 2006-01-16 | | Release date: | 2006-03-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding
Protein Sci., 15, 2006
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7A15
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5F9X
 | | X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN UPON 24 HOURS OF INCUBATION AT 55 DEGREES | | Descriptor: | Cisplatin, GLYCEROL, Lysozyme C | | Authors: | Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A. | | Deposit date: | 2015-12-10 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
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5AVP
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4XZL
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0049 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XW4
 | | X-ray structure of PKAc with AMPPNP, SP20, calcium ions | | Descriptor: | CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | | Deposit date: | 2015-01-28 | | Release date: | 2015-05-06 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
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4XQ4
 | | X-ray structure analysis of xylanase - N44D | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | Deposit date: | 2015-01-19 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5F9U
 | | X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN UPON 24 HOURS OF INCUBATION AT 20 DEGREES | | Descriptor: | Cisplatin, GLYCEROL, Lysozyme C | | Authors: | Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A. | | Deposit date: | 2015-12-10 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
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4XVR
 | | H-Ras Y137F | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Johnson, C.W, Mattos, C. | | Deposit date: | 2015-01-27 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.031 Å) | | Cite: | Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding.
Faseb J., 29, 2015
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5FD0
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