7QR7
 
 | | SpCas9 bound to AAVS1 off-target2 DNA substrate | | Descriptor: | AAVS1 off-target2 non-target strand, AAVS1 off-target2 target strand, AAVS1 sgRNA, ... | | Authors: | Pacesa, M, JInek, M. | | Deposit date: | 2022-01-10 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for Cas9 off-target activity.
Cell, 185, 2022
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6G52
 | | CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4 | | Descriptor: | Metal transporter CNNM4 | | Authors: | Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A. | | Deposit date: | 2018-03-28 | | Release date: | 2019-04-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.691 Å) | | Cite: | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
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6G87
 | | Flavonoid-responsive Regulator FrrA | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TetR/AcrR family transcriptional regulator | | Authors: | Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W. | | Deposit date: | 2018-04-07 | | Release date: | 2019-04-24 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | The induction mechanism of the flavonoid-responsive regulator FrrA.
Febs J., 2021
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4OGI
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor BI-2536 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Jose, B, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-01-16 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.
Nat.Chem.Biol., 10, 2014
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8S9U
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8S9T
 | | CRISPR-Cas type III-D effector complex | | Descriptor: | CRISPR RNA, Cas10, Cas7-2x, ... | | Authors: | Schwartz, E.A, Taylor, D.W. | | Deposit date: | 2023-03-30 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | RNA targeting and cleavage by the type III-Dv CRISPR effector complex.
Nat Commun, 15, 2024
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8S9V
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8S9X
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5CP6
 | | Nucleosome Core Particle with Adducts from the Anticancer Compound, [(eta6-5,8,9,10-tetrahydroanthracene)Ru(ethylenediamine)Cl][PF6] | | Descriptor: | (ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl, DNA (145-MER), Histone H2A, ... | | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | | Deposit date: | 2015-07-21 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode.
Angew.Chem.Int.Ed.Engl., 55, 2016
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4OGJ
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor TG-101348 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide | | Authors: | Filippakopoulos, P, Picaud, S, Jose, B, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-01-16 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.
Nat.Chem.Biol., 10, 2014
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4R97
 | | Crystal structure of the Fab fragment of KKO | | Descriptor: | GLYCEROL, ZINC ION, platelet factor 4 antibody KKO heavy chain, ... | | Authors: | Cai, Z, Zhu, Z, Liu, Q, Greene, M.I. | | Deposit date: | 2014-09-03 | | Release date: | 2015-12-16 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
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4R9W
 | | Crystal structure of platelet factor 4 complexed with fondaparinux | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Platelet factor 4 | | Authors: | Cai, Z, Zhu, Z, Liu, Q, Greene, M.I. | | Deposit date: | 2014-09-08 | | Release date: | 2015-12-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
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4R9Y
 | | Crystal structure of KKOFab in complex with platelet factor 4 | | Descriptor: | Platelet factor 4, Platelet factor 4 antibody KKO heavy chain, Platelet factor 4 antibody KKO light chain | | Authors: | Cai, Z, Zhu, Z, Liu, Q, Greene, M.I. | | Deposit date: | 2014-09-08 | | Release date: | 2015-12-16 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (4.11 Å) | | Cite: | Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
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2VPR
 | | Tet repressor class H in complex with 5a,6- anhydrotetracycline-Mg | | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Schuldt, L, Palm, G, Hinrichs, W. | | Deposit date: | 2008-03-03 | | Release date: | 2008-03-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Tet Repressor Induction by Tetracycline: A Molecular Dynamics, Continuum Electrostatics, and Crystallographic Study
J.Mol.Biol., 378, 2008
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5VOF
 | | DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban | | Descriptor: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, CALCIUM ION, Coagulation factor X, ... | | Authors: | Krishnaswamy, S, Kumar, S. | | Deposit date: | 2017-05-02 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
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5DNN
 | | Nucleosome core particle containing adducts of gold(I)-triethylphosphane and ruthenium(II)-toluene PTA complexes | | Descriptor: | DNA (145-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Adhireksan, Z, Ma, Z, Davey, C.A. | | Deposit date: | 2015-09-10 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Allosteric cross-talk in chromatin can mediate drug-drug synergy
Nat Commun, 8, 2017
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5DNM
 | | Nucleosome core particle containing adducts of ruthenium(II)-toluene PTA complex | | Descriptor: | DNA (145-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Adhireksan, Z, Muhammad, R, Davey, C.A. | | Deposit date: | 2015-09-10 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Allosteric cross-talk in chromatin can mediate drug-drug synergy
Nat Commun, 8, 2017
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7ZO1
 | | SpCas9 bound to CD34 off-target9 DNA substrate | | Descriptor: | CD34 off-target9 DNA non-target strand, CD34 off-target9 DNA target strand, CD34 sgRNA, ... | | Authors: | Pacesa, M, Jinek, M. | | Deposit date: | 2022-04-23 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for Cas9 off-target activity.
Cell, 185, 2022
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