6U4V
 
 | | Non-crosslinked wild type cysteine dioxygenase | | Descriptor: | Cysteine dioxygenase type 1, FE (III) ION | | Authors: | Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L. | | Deposit date: | 2019-08-26 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase.
Biochemistry, 59, 2020
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3KZ4
 | | Crystal Structure of the Rotavirus Double Layered Particle | | Descriptor: | Inner capsid protein VP2, Intermediate capsid protein VP6, ZINC ION | | Authors: | Mcclain, B, Settembre, E.C, Bellamy, A.R, Harrison, S.C. | | Deposit date: | 2009-12-07 | | Release date: | 2010-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | X-ray crystal structure of the rotavirus inner capsid particle at 3.8 A resolution.
J.Mol.Biol., 397, 2010
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6RIA
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8FO0
 | | The structure of a crystallizable variant of E. coli pyruvate formate-lyase activating enzyme bound to a partially cleaved SAM molecule | | Descriptor: | IRON/SULFUR CLUSTER, POTASSIUM ION, Pyruvate formate-lyase 1-activating enzyme, ... | | Authors: | Moody, J.D, Saxton, A.J, Galambas, A, Lawrence, C.M, Broderick, J.B. | | Deposit date: | 2022-12-29 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Computational engineering of previously crystallized pyruvate formate-lyase activating enzyme reveals insights into SAM binding and reductive cleavage.
J.Biol.Chem., 299, 2023
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7L5P
 | | Crystal structure of the covalently bonded complex of rilzabrutinib with BTK | | Descriptor: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M. | | Deposit date: | 2020-12-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases
To Be Published
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6HZV
 | | HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND | | Descriptor: | 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile, Tyrosine-protein kinase JAK3 | | Authors: | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
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6HZU
 | | HUMAN JAK1 IN COMPLEX WITH LASW1393 | | Descriptor: | 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | | Authors: | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-23 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
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8FOL
 | | The structure of a crystallizable variant of E. coli pyruvate formate-lyase activating enzyme bound to SAM, alternate crystal form | | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, POTASSIUM ION, ... | | Authors: | Moody, J.D, Saxton, A.J, Galambas, A, Lawrence, C.M, Broderick, J.B. | | Deposit date: | 2022-12-31 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Computational engineering of previously crystallized pyruvate formate-lyase activating enzyme reveals insights into SAM binding and reductive cleavage.
J.Biol.Chem., 299, 2023
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8FSI
 | | The structure of a crystallizable variant of E. coli pyruvate formate-lyase activating enzyme bound to SAM | | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, POTASSIUM ION, ... | | Authors: | Moody, J.D, Galambas, A, Lawrence, C.M, Broderick, J.B. | | Deposit date: | 2023-01-10 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Computational engineering of previously crystallized pyruvate formate-lyase activating enzyme reveals insights into SAM binding and reductive cleavage.
J.Biol.Chem., 299, 2023
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3I5X
 | | Structure of Mss116p bound to ssRNA and AMP-PNP | | Descriptor: | 5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3', ATP-dependent RNA helicase MSS116, MAGNESIUM ION, ... | | Authors: | Del Campo, M, Lambowitz, A.M. | | Deposit date: | 2009-07-06 | | Release date: | 2009-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Yeast DEAD box protein Mss116p reveals two wedges that crimp RNA
Mol.Cell, 35, 2009
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3I5Y
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3I61
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3I62
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8FWY
 | | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to the dead-end complex xanthine and pyrophosphate | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, XANTHINE | | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | | Deposit date: | 2023-01-23 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
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8FX3
 | | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-GP, showing the structure of the complete active site in its open conformation | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER | | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | | Deposit date: | 2023-01-23 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
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8FX1
 | | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (R)-SerMe-ImmH Phosphonate | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid | | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | | Deposit date: | 2023-01-23 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
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8FX0
 | | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (S)-SerMe-ImmH Phosphonate | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid | | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | | Deposit date: | 2023-01-23 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
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8FX2
 | | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-HP | | Descriptor: | (1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase | | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | | Deposit date: | 2023-01-23 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
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8FWZ
 | | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Hydroxypropyl-Lin-ImmH Phosphonate | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, [(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid | | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | | Deposit date: | 2023-01-23 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
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3H80
 | | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213 | | Descriptor: | 1,2-ETHANEDIOL, Heat shock protein 83-1, MAGNESIUM ION, ... | | Authors: | Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, Mackenzie, F, Fairlamb, A, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-28 | | Release date: | 2009-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213
To be Published
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3H5Z
 | | Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA | | Descriptor: | 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | | Authors: | Qiu, W, Hutchinson, A, Lin, Y.-H, Wernimont, A, Mackenzie, F, Ravichandran, M, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Fairlamb, A.H, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-22 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | N-myristoyltransferase inhibitors as new leads to treat sleeping sickness.
Nature, 464, 2010
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3E86
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2WOI
 | | Trypanothione reductase from Trypanosoma brucei | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ... | | Authors: | Alphey, M.S, Fairlamb, A.H. | | Deposit date: | 2009-07-24 | | Release date: | 2010-08-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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3TCO
 | | Crystallographic and spectroscopic characterization of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability | | Descriptor: | 1,2-ETHANEDIOL, Thioredoxin (TrxA-1) | | Authors: | Esposito, L, Ruggiero, A, Masullo, M, Ruocco, M.R, Lamberti, A, Arcari, P, Zagari, A, Vitagliano, L. | | Deposit date: | 2011-08-09 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic and spectroscopic characterizations of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability.
J.Struct.Biol., 177, 2012
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2VZ0
 | | Pteridine Reductase 1 (PTR1) from Trypanosoma Brucei in complex with NADP and DDD00066641 | | Descriptor: | 6-(4-methylphenyl)quinazoline-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | | Authors: | Robinson, D.A, Thompson, S, Sienkiewicz, N, Fairlamb, A.H. | | Deposit date: | 2008-07-29 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development and Validation of a Cytochrome C Coupled Assay for Pteridine Reductase 1 and Dihydrofolate Reductase.
Anal.Biochem., 396, 2010
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