5ANS
 
 | | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | | Authors: | Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L. | | Deposit date: | 2015-09-08 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
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5C17
 | | Crystal structure of the mercury-bound form of MerB2 | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, MERCURY (II) ION, ... | | Authors: | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | Deposit date: | 2015-06-13 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
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5DSF
 | | Crystal structure of the mercury-bound form of MerB mutant D99S | | Descriptor: | Alkylmercury lyase, BROMIDE ION, MERCURY (II) ION | | Authors: | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | Deposit date: | 2015-09-17 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
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3ZJ6
 | | Crystal of Raucaffricine Glucosidase in complex with inhibitor | | Descriptor: | (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | | Authors: | Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J. | | Deposit date: | 2013-01-17 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
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1PDC
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3BCM
 | | Crystal Structure of The Unswapped Form of P19A/L28Q/N67D BS-RNase | | Descriptor: | PHOSPHATE ION, Seminal ribonuclease | | Authors: | Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F. | | Deposit date: | 2007-11-13 | | Release date: | 2008-02-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme
J.Mol.Biol., 376, 2008
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3ZHM
 | | N-terminal domain of the CI repressor from bacteriophage TP901-1 in complex with the OL2 operator half-site | | Descriptor: | 5'-D(*AP*CP*GP*TP*GP*AP*AP*CP*TP*TP*GP*CP*AP*CP *TP*TP*GP*A)-3', 5'-D(*AP*GP*TP*TP*CP*AP*CP*GP*TP*TP*CP*AP*AP*GP *TP*GP*CP*A)-3', CI | | Authors: | Frandsen, K.H, Rasmussen, K.K, Poulsen, J.N, Lo Leggio, L. | | Deposit date: | 2012-12-22 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Binding of the N-Terminal Domain of the Lactococcal Bacteriophage Tp901-1 Ci Repressor to its Target DNA: A Crystallography, Small Angle Scattering, and Nuclear Magnetic Resonance Study.
Biochemistry, 52, 2013
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3ZOQ
 | | Structure of BsUDG-p56 complex | | Descriptor: | CHLORIDE ION, GLYCEROL, P56, ... | | Authors: | Banos-Sanz, J.I, Mojardin, L, Sanz-Aparicio, J, Gonzalez, B, Salas, M. | | Deposit date: | 2013-02-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure and Functional Insights Into Uracil-DNA Glycosylase Inhibition by Phage Phi29 DNA Mimic Protein P56
Nucleic Acids Res., 41, 2013
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3WRO
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4DGX
 | | LEOPARD Syndrome-Associated SHP2/Y279C mutant | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y. | | Deposit date: | 2012-01-27 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
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4IYC
 | | Structure of the T244A mutant of the PANTON-VALENTINE LEUCOCIDIN component from STAPHYLOCOCCUS AUREUS | | Descriptor: | LukS-PV | | Authors: | Maveyraud, L, Guerin, F, Lavnetie, B.J, Prevost, G, Mourey, L. | | Deposit date: | 2013-01-28 | | Release date: | 2014-01-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Residues essential for panton-valentine leukocidin s component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface
Plos One, 9, 2014
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3ZOR
 | | Structure of BsUDG | | Descriptor: | URACIL-DNA GLYCOSYLASE | | Authors: | Banos-Sanz, J.I, Mojardin, L, Sanz-Aparicio, J, Gonzalez, B, Salas, M. | | Deposit date: | 2013-02-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal Structure and Functional Insights Into Uracil-DNA Glycosylase Inhibition by Phage Phi29 DNA Mimic Protein P56
Nucleic Acids Res., 41, 2013
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3ZHI
 | | N-terminal domain of the CI repressor from bacteriophage TP901-1 | | Descriptor: | CI | | Authors: | Frandsen, K.H, Rasmussen, K.K, Poulsen, J.N, Lo Leggio, L. | | Deposit date: | 2012-12-21 | | Release date: | 2013-12-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Binding of the N-Terminal Domain of the Lactococcal Bacteriophage Tp901-1 Ci Repressor to its Target DNA: A Crystallography, Small Angle Scattering, and Nuclear Magnetic Resonance Study.
Biochemistry, 52, 2013
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4J0O
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4AC7
 | | The crystal structure of Sporosarcina pasteurii urease in complex with citrate | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, HYDROXIDE ION, ... | | Authors: | Benini, S, Kosikowska, P, Cianci, M, Gonzalez Vara, A, Berlicki, L, Ciurli, S. | | Deposit date: | 2011-12-14 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Crystal Structure of Sporosarcina Pasteurii Urease in a Complex with Citrate Provides New Hints for Inhibitor Design.
J.Biol.Inorg.Chem., 18, 2013
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4IYT
 | | Structure Of The Y184A Mutant Of The PANTON-VALENTINE LEUCOCIDIN S Component From STAPHYLOCOCCUS AUREUS | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LukS-PV | | Authors: | Guerin, F, Laventie, B.J, Prevost, G, Mourey, L, Maveyraud, L. | | Deposit date: | 2013-01-29 | | Release date: | 2014-01-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Residues essential for panton-valentine leukocidin s component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface
Plos One, 9, 2014
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4IYA
 | | Structure of the Y250A mutant of the PANTON-VALENTINE LEUCOCIDIN S component from STAPHYLOCOCCUS AUREUS | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, LukS-PV | | Authors: | Maveyraud, L, Guerin, F, Laventie, B.J, Prevost, G, Mourey, L. | | Deposit date: | 2013-01-28 | | Release date: | 2014-01-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Residues essential for panton-valentine leukocidin s component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface
Plos One, 9, 2014
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4ESA
 | | X-ray structure of carbonmonoxy hemoglobin of Eleginops maclovinus | | Descriptor: | CARBON MONOXIDE, GLYCEROL, Hemoglobin alpha chain, ... | | Authors: | Merlino, A, Vitagliano, L, Mazzarella, L, Vergara, A. | | Deposit date: | 2012-04-23 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | ATP regulation of the ligand-binding properties in temperate and cold-adapted haemoglobins. X-ray structure and ligand-binding kinetics in the sub-Antarctic fish Eleginops maclovinus.
Mol Biosyst, 8, 2012
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4AOC
 | | crystal structure of BC2L-A Lectin from Burkolderia cenocepacia in complex with methyl-heptoside | | Descriptor: | BC2L-A LECTIN, CALCIUM ION, SULFATE ION, ... | | Authors: | Marchetti, R, Malinovska, L, Lameignere, E, deCastro, C, Cioci, G, Kosma, P, Wimmerova, M, Molinaro, A, Imberty, A, Silipo, A. | | Deposit date: | 2012-03-26 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Burkholderia Cenocepacia Lectin a Binding to Heptoses from the Bacterial Lipopolysaccharide.
Glycobiology, 22, 2012
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7ROR
 | | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with tyrosine-AMP | | Descriptor: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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7ROS
 | | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML901-Tyr | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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7ROU
 | | Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr | | Descriptor: | SULFATE ION, Tyrosine--tRNA ligase, cytoplasmic, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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7ROT
 | | Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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2PQ6
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1LRT
 | | CRYSTAL STRUCTURE OF TERNARY COMPLEX OF TRITRICHOMONAS FOETUS INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE: STRUCTURAL CHARACTERIZATION OF NAD+ SITE IN MICROBIAL ENZYME | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, ... | | Authors: | Gan, L, Petsko, G.A, Hedstrom, L. | | Deposit date: | 2002-05-15 | | Release date: | 2003-07-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a ternary complex of Tritrichomonas foetus inosine
5'-monophosphate dehydrogenase: NAD+ orients the active site loop for catalysis
Biochemistry, 41, 2003
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