6NRJ
 
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93 | | Descriptor: | (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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6NRG
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57 | | Descriptor: | 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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6NRF
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103 | | Descriptor: | 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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6NRI
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83 | | Descriptor: | (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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1HB7
 | | quasi-atomic resolution model of bacteriophage PRD1 sus1 mutant, obtained by combined cryo-EM and X-ray crystallography. | | Descriptor: | BACTERIOPHAGE PRD1 SUS1 MUTANT CAPSID | | Authors: | San Martin, C, Burnett, R.M, De Haas, F, Heinkel, R, Rutten, T, Fuller, S.D, Butcher, S.J, Bamford, D.H. | | Deposit date: | 2001-04-12 | | Release date: | 2001-12-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (14 Å) | | Cite: | Combined Em/X-Ray Imaging Yields a Quasi-Atomic Model of the Adenovirus-Related Bacteriophage Prd1 and Shows Key Capsid and Membrane Interactions.
Structure, 9, 2001
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9FE6
 | | Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae | | Descriptor: | MAGNESIUM ION, SDR family oxidoreductase | | Authors: | Kapur, B, Nar, H. | | Deposit date: | 2024-05-17 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.875 Å) | | Cite: | In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
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9FEB
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7AHO
 | | RUVBL1-RUVBL2 heterohexameric ring after binding of RNA helicase DHX34 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2 | | Authors: | Lopez-Perrote, A, Rodriguez, C.F, Llorca, O. | | Deposit date: | 2020-09-25 | | Release date: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (4.18 Å) | | Cite: | Regulation of RUVBL1-RUVBL2 AAA-ATPases by the nonsense-mediated mRNA decay factor DHX34, as evidenced by Cryo-EM.
Elife, 9, 2020
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5JWK
 | | Factor Inhibiting HIF D201E in Complex with Fe, and Alpha-Ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | | Authors: | Taabazuing, C.Y, Garman, S.C, Knapp, M.J, Eron, S. | | Deposit date: | 2016-05-12 | | Release date: | 2017-05-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Factor Inhibiting HIF D201E in Complex with Fe, and Alpha-Ketoglutarate
To Be Published
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5JWL
 | | Factor Inhibiting HIF D201E in Complex with Zn, and Alpha-Ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Taabazuing, C.Y, Garman, S.C, Eron, S, Knapp, M.J. | | Deposit date: | 2016-05-12 | | Release date: | 2017-05-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Factor Inhibiting HIF D201E in Complex with Zn, and Alpha-Ketoglutarate
To Be Published
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8BFR
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8BFT
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5G5N
 | | Structure of the snake adenovirus 1 hexon-interlacing LH3 protein, methylmercury chloride derivative | | Descriptor: | CHLORIDE ION, GLYCEROL, LH3 HEXON-INTERLACING CAPSID PROTEIN, ... | | Authors: | Nguyen, T.H, Singh, A.K, Albala-Perez, B, van Raaij, M.J. | | Deposit date: | 2016-05-26 | | Release date: | 2017-06-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a Reptilian Adenovirus Reveals a Phage Tailspike Fold Stabilizing a Vertebrate Virus Capsid.
Structure, 25, 2017
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5G5O
 | | Structure of the snake adenovirus 1 hexon-interlacing LH3 protein, native | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nguyen, T.H, Singh, A.K, Albala-Perez, B, van Raaij, M.J. | | Deposit date: | 2016-05-26 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a Reptilian Adenovirus Reveals a Phage Tailspike Fold Stabilizing a Vertebrate Virus Capsid.
Structure, 25, 2017
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4KCG
 | | Human dCK C4S-S74E mutant in complex with UDP and the DI-39 inhibitor | | Descriptor: | Deoxycytidine kinase, N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2013-04-24 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Co-targeting of convergent nucleotide biosynthetic pathways for leukemia eradication.
J.Exp.Med., 211, 2014
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6GY2
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7OOK
 | | Bacteriophage PRD1 Major Capsid Protein P3 in complex with CPZ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CHLORIDE ION, ... | | Authors: | Duyvesteyn, H.M.E, Peccati, F, Martinez-Castillo, A, Jimenez-Oses, G, Oksanen, H.M, Stuart, D.I, Abrescia, N.G.A. | | Deposit date: | 2021-05-27 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Bacteriophage PRD1 as a nanoscaffold for drug loading
Nanoscale, 13, 2021
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4D1G
 | | Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, native, second P212121 crystal form | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FIBER PROTEIN, SULFATE ION | | Authors: | Singh, A.K, van Raaij, M.J. | | Deposit date: | 2014-05-01 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1.
PLoS ONE, 9, 2014
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4D0U
 | | Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, selenomethionine-derivative | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FIBER PROTEIN, SULFATE ION | | Authors: | Singh, A.K, van Raaij, M.J. | | Deposit date: | 2014-04-30 | | Release date: | 2014-12-17 | | Last modified: | 2018-12-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1.
PLoS ONE, 9, 2014
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4D0V
 | | Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, native, I213 crystal form | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FIBER PROTEIN, SULFATE ION | | Authors: | Singh, A.K, van Raaij, M.J. | | Deposit date: | 2014-04-30 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1.
PLoS ONE, 9, 2014
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4D1F
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5KL0
 | | Crystal Structure of Phosphoglucomutase from Xanthomonas citri citri complexed with Glucose-1,6-biphosphate | | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, Phosphoglucomutase | | Authors: | Goto, L.S, Pereira, H.M, Novo Mansur, M.T.M. | | Deposit date: | 2016-06-23 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Structural and functional characterization of the phosphoglucomutase from Xanthomonas citri subsp. citri.
Biochim.Biophys.Acta, 1864, 2016
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1ETH
 | | TRIACYLGLYCEROL LIPASE/COLIPASE COMPLEX | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | | Authors: | Hermoso, J, Pignol, D, Kerfelec, B, Crenon, I, Chapus, C, Fontecilla-Camps, J.C. | | Deposit date: | 1995-09-13 | | Release date: | 1996-12-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lipase activation by nonionic detergents. The crystal structure of the porcine lipase-colipase-tetraethylene glycol monooctyl ether complex.
J.Biol.Chem., 271, 1996
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5BMN
 | | Crystal Structure of APO form of Phosphoglucomutase from Xanthomonas citri | | Descriptor: | MAGNESIUM ION, Phosphoglucomutase | | Authors: | Goto, L.S, Pereira, H.M, Novo Mansur, M.T.M, Brandao-Neto, J. | | Deposit date: | 2015-05-22 | | Release date: | 2016-06-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Structural and functional characterization of the phosphoglucomutase from Xanthomonas citri subsp. citri.
Biochim.Biophys.Acta, 1864, 2016
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5BMP
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