7LYX
 
 | | Crystal structure of human CYP8B1 in complex with (S)-tioconazole | | Descriptor: | (S)-Tioconazole, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, GLYCEROL, ... | | Authors: | Liu, J, Scott, E.E. | | Deposit date: | 2021-03-08 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes.
J.Biol.Chem., 298, 2022
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6FCO
 | | Structural and functional characterisation of Frataxin (FXN) like protein from Chaetomium thermophilum | | Descriptor: | MALONIC ACID, Mitochondrial frataxin-like protein | | Authors: | Jamshidiha, M, Rasheed, M, Pastore, A, Cota, E. | | Deposit date: | 2017-12-20 | | Release date: | 2019-01-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural and functional characterization of a frataxin from a thermophilic organism.
FEBS J., 286, 2019
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5FUA
 | | Cryo-EM of BK polyomavirus | | Descriptor: | MAJOR CAPSID PROTEIN VP1 | | Authors: | Hurdiss, D.L, Morgan, E.L, Thompson, R.F, Prescott, E.L, Panou, M.M, Macdonald, A, Ranson, N.A. | | Deposit date: | 2016-01-22 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | New Structural Insights Into the Genome and Minor Capsid Proteins of Bk Polyomavirus Using Cryo-Electron Microscopy.
Structure, 24, 2016
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8TID
 | | Combined linker domain of N-DRC and associated proteins Tetrahymena | | Descriptor: | AAA family ATPase CDC48 subfamily protein, CFAP20, Calmodulin 7-2, ... | | Authors: | Ghanaeian, A.G, Majhi, S.M, McCaffrey, C.M, Nami, B.N, Black, C.B, Yang, S.K, Legal, T.L, Papoulas, O.P, Janowska, M.J, Valente-Paterno, M.V, Marcotte, E.M, Wloga, D.W, Bui, K.H. | | Deposit date: | 2023-07-19 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Integrated modeling of the Nexin-dynein regulatory complex reveals its regulatory mechanism.
Nat Commun, 14, 2023
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7S6M
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7S68
 | | Structure of human PARP1 domains (Zn1, Zn3, WGR and HD) bound to a DNA double strand break. | | Descriptor: | DNA (5'-D(*GP*CP*CP*TP*GP*CP*AP*GP*GP*C)-3'), Fusion of PARP1 zinc fingers 1 and 3 (Zn1, Zn3), ... | | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | | Deposit date: | 2021-09-13 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
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8GK3
 | | Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate | | Descriptor: | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Liu, J, Scott, E.E. | | Deposit date: | 2023-03-16 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human cytochrome P450 3A7 binding four copies of its native substrate dehydroepiandrosterone 3-sulfate.
J.Biol.Chem., 299, 2023
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8FDA
 | | Human Cytochrome P450 17A1 in complex with steroidal isonitrile inhibitor | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium | | Authors: | Richard, A.M, Scott, E.E. | | Deposit date: | 2022-12-02 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Selective steroidogenic cytochrome P450 haem iron ligation by steroid-derived isonitriles.
Commun Chem, 6, 2023
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2MPV
 | | Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli | | Descriptor: | Major fimbrial subunit of aggregative adherence fimbria II AafA | | Authors: | Matthews, S.J, Yang, Y, Berry, A.A, Pakharukova, N, Garnett, J.A, Lee, W, Cota, E, Liu, B, Roy, S, Tuittila, M, Marchant, J, Inman, K.G, Ruiz-Perez, F, Mandomando, I, Nataro, J.P, Zavialov, A.V. | | Deposit date: | 2014-06-04 | | Release date: | 2014-10-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
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6HUF
 | | Coping with strong translational non-crystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-27A | | Authors: | Jamshidiha, M, Perez-Dorado, I, Murray, J.W, Tate, E.W, Cota, E, Read, R.J. | | Deposit date: | 2018-10-08 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Coping with strong translational noncrystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a.
Acta Crystallogr D Struct Biol, 75, 2019
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6UDL
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6UDM
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8EOH
 | | crystal structure of human Cytochrome P450 8B1 in complex with a C12-Pyridine Containing Steroid | | Descriptor: | 12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Liu, J, Scott, E.E. | | Deposit date: | 2022-10-03 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Pyridine-containing substrate analogs are restricted from accessing the human cytochrome P450 8B1 active site by tryptophan 281.
J.Biol.Chem., 299, 2023
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8FYZ
 | | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT10 (compound 13) | | Descriptor: | (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide, CITRIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | | Deposit date: | 2023-01-27 | | Release date: | 2024-02-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
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8FYY
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8G0H
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8FZ1
 | | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14) | | Descriptor: | (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ... | | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | | Deposit date: | 2023-01-27 | | Release date: | 2024-02-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
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2VER
 | | Structural model for the complex between the Dr adhesins and carcinoembryonic antigen (CEA) | | Descriptor: | AFIMBRIAL ADHESIN AFA-III, ARCINOEMBRYONIC ANTIGEN-RELATED CELL ADHESION MOLECULE 5, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Korotkova, N, Yang, Y, Le Trong, I, Cota, E, Demeler, B, Marchant, J, Thomas, W.E, Stenkamp, R.E, Moseley, S.L, Matthews, S. | | Deposit date: | 2007-10-26 | | Release date: | 2008-01-08 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Binding of Dr Adhesins of Escherichia Coli to Carcinoembryonic Antigen Triggers Receptor Dissociation.
Mol.Microbiol., 67, 2008
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3GPH
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3ITQ
 | | Crystal Structure of a Prolyl 4-Hydroxylase from Bacillus anthracis | | Descriptor: | GLYCEROL, PHOSPHATE ION, Prolyl 4-hydroxylase, ... | | Authors: | Culpepper, M.A, Scott, E.E, Limburg, J. | | Deposit date: | 2009-08-28 | | Release date: | 2009-12-15 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of prolyl 4-hydroxylase from Bacillus anthracis.
Biochemistry, 49, 2010
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2Y2T
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2Y2Y
 | | Oxidised form of E. coli CsgC | | Descriptor: | ACETATE ION, CURLI PRODUCTION PROTEIN CSGC | | Authors: | Taylor, J.D, Salgado, P.S, Constable, S.C, Cota, E, Mathews, S.J. | | Deposit date: | 2010-12-16 | | Release date: | 2011-09-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Atomic Resolution Insights Into Curli Fiber Biogenesis.
Structure, 19, 2011
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2XSK
 | | E. coli curli protein CsgC - SeCys | | Descriptor: | ACETATE ION, CSGC | | Authors: | Salgado, P.S, Taylor, J.D, Cota, E, Matthews, S.J. | | Deposit date: | 2010-09-29 | | Release date: | 2010-12-29 | | Last modified: | 2014-01-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Extending the Usability of the Phasing Power of Diselenide Bonds: Secys Sad Phasing of Csgc Using a Non-Auxotrophic Strain.
Acta Crystallogr.,Sect.D, 67, 2011
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3MI3
 | | Homocitrate Synthase Lys4 bound to Lysine | | Descriptor: | Homocitrate synthase, mitochondrial, LYSINE, ... | | Authors: | Bulfer, S.L, Scott, E.M, Pillus, L, Trievel, R.C. | | Deposit date: | 2010-04-09 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural Basis for L-lysine Feedback Inhibition of Homocitrate Synthase
J.Biol.Chem., 285, 2010
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3IVS
 | | Homocitrate Synthase Lys4 | | Descriptor: | COBALT (II) ION, Homocitrate synthase, mitochondrial, ... | | Authors: | Bulfer, S.L, Scott, E.M, Couture, J.-F, Pillus, L, Trievel, R.C. | | Deposit date: | 2009-09-01 | | Release date: | 2009-09-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal structure and functional analysis of homocitrate synthase, an essential enzyme in lysine biosynthesis.
J.Biol.Chem., 284, 2009
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