1F30
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![BU of 1f30 by Molmil](/molmil-images/mine/1f30) | THE STRUCTURAL BASIS FOR DNA PROTECTION BY E. COLI DPS PROTEIN | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN, ZINC ION | Authors: | Luo, J, Liu, D, White, M.A, Fox, R.O. | Deposit date: | 2000-05-31 | Release date: | 2003-06-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The Structural Basis for DNA Protection by E. coli Dps Protein To be Published
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5LNX
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![BU of 5lnx by Molmil](/molmil-images/mine/5lnx) | |
3N4O
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![BU of 3n4o by Molmil](/molmil-images/mine/3n4o) | Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*(B7C)P*CP*GP*CP*G)-3' | Authors: | Takenaka, A, Juan, E.C.M, Shimizu, S. | Deposit date: | 2010-05-22 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one. Nucleic Acids Res., 2010
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7A4S
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![BU of 7a4s by Molmil](/molmil-images/mine/7a4s) | Structure of DYRK1A in complex with compound 2 | Descriptor: | 7-chlorothieno[3,2-c]pyridin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A4Z
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![BU of 7a4z by Molmil](/molmil-images/mine/7a4z) | Structure of DYRK1A in complex with compound 4 | Descriptor: | 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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5M5C
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![BU of 5m5c by Molmil](/molmil-images/mine/5m5c) | Mechanism of microtubule minus-end recognition and protection by CAMSAP proteins | Descriptor: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Akhmanova, A, Moores, C.A, Baldus, M, Steinmetz, M.O, Topf, M, Roberts, A.J, Grant, B.J, Scarabelli, G, Joseph, A.-P, van Hooff, J.J.E, Houben, K, Hua, S, Luo, Y, Stangier, M.M, Jiang, K, Atherton, J. | Deposit date: | 2016-10-21 | Release date: | 2017-10-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | A structural model for microtubule minus-end recognition and protection by CAMSAP proteins. Nat. Struct. Mol. Biol., 24, 2017
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4XHC
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![BU of 4xhc by Molmil](/molmil-images/mine/4xhc) | rhamnosidase from Klebsiella oxytoca with rhamnose bound | Descriptor: | Alpha-L-rhamnosidase, SULFATE ION, alpha-L-rhamnopyranose | Authors: | O'Neill, E.O, Stevenson, C.E.M, Patterson, M.J, Rejzek, M, Chauvin, A, Lawson, D.M, Field, R.A. | Deposit date: | 2015-01-05 | Release date: | 2015-04-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a novel two domain GH78 family alpha-rhamnosidase from Klebsiella oxytoca with rhamnose bound. Proteins, 83, 2015
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7A51
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![BU of 7a51 by Molmil](/molmil-images/mine/7a51) | Structure of DYRK1A in complex with compound 5 | Descriptor: | 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A5L
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![BU of 7a5l by Molmil](/molmil-images/mine/7a5l) | tructure of DYRK1A in complex with compound 24 | Descriptor: | 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-21 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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5M50
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![BU of 5m50 by Molmil](/molmil-images/mine/5m50) | Mechanism of microtubule minus-end recognition and protection by CAMSAP proteins | Descriptor: | Calmodulin-regulated spectrin-associated protein 3, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Akhmanova, A, Moores, C.A, Baldus, M, Steinmetz, M.O, Topf, M, Roberts, A.J, Grant, B.J, Scarabelli, G, Joseph, A.-P, van Hooff, J.J.E, Houben, K, Hua, S, Luo, Y, Stangier, M.M, Jiang, K, Atherton, J. | Deposit date: | 2016-10-20 | Release date: | 2017-10-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.3 Å) | Cite: | A structural model for microtubule minus-end recognition and protection by CAMSAP proteins. Nat. Struct. Mol. Biol., 24, 2017
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8C6Z
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![BU of 8c6z by Molmil](/molmil-images/mine/8c6z) | necrotic enteritis associated Clostridium p. chitinase F8UNI4 in complex with inhibitor bisdionin C | Descriptor: | 1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CADMIUM ION, COBALT (II) ION, ... | Authors: | Bloch, Y, Savvides, S.N. | Deposit date: | 2023-01-12 | Release date: | 2023-05-31 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Contribution and structural characterization of Chitinases to Clostridium perfringens Pathogenesis in Broilers To Be Published
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8IG0
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![BU of 8ig0 by Molmil](/molmil-images/mine/8ig0) | Crystal structure of menin in complex with DS-1594b | Descriptor: | (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ... | Authors: | Suzuki, M, Yoneyama, T, Imai, E. | Deposit date: | 2023-02-20 | Release date: | 2023-03-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1. Cancer Cell Int, 23, 2023
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3N51
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![BU of 3n51 by Molmil](/molmil-images/mine/3n51) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor RM-1-95 | Descriptor: | 1,2-ETHANEDIOL, 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2010-05-24 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii. ACS Med Chem Lett, 1, 2010
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6ZLQ
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![BU of 6zlq by Molmil](/molmil-images/mine/6zlq) | Folding of an iron binding peptide in response to sedimentation is resolved using ferritin as a nano-reactor | Descriptor: | FE (III) ION, Ferritin | Authors: | Davidov, G, Abelya, G, Zalk, R, Izbicki, B, Shaibi, S, Spektor, L, Meyron Holtz, E.G, Zarivach, R, Frank, G.A. | Deposit date: | 2020-07-01 | Release date: | 2021-07-14 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Folding of an Intrinsically Disordered Iron-Binding Peptide in Response to Sedimentation Revealed by Cryo-EM. J.Am.Chem.Soc., 142, 2020
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8EUF
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![BU of 8euf by Molmil](/molmil-images/mine/8euf) | Class2 of the INO80-Nucleosome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F. | Deposit date: | 2022-10-18 | Release date: | 2023-07-12 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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6IA5
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![BU of 6ia5 by Molmil](/molmil-images/mine/6ia5) | Crystal Structure Analysis of Bacillus subtilis 168 XepA | Descriptor: | ACETATE ION, GLYCEROL, Phage-like element PBSX protein XepA | Authors: | Freitag-Pohl, S, Pohl, E. | Deposit date: | 2018-11-26 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS. Acta Crystallogr D Struct Biol, 75, 2019
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5XDT
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![BU of 5xdt by Molmil](/molmil-images/mine/5xdt) | Staphylococcus aureus FtsZ 12-316 complexed with TXA707 | Descriptor: | 1-methylpyrrolidin-2-one, 2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide, CALCIUM ION, ... | Authors: | Fujita, J, Maeda, Y, Mizohata, E, Inoue, T, Kaul, M, Parhi, A.K, LaVoie, E.J, Pilch, D.S, Matsumura, H. | Deposit date: | 2017-03-30 | Release date: | 2017-08-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ ACS Chem. Biol., 12, 2017
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5XF3
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![BU of 5xf3 by Molmil](/molmil-images/mine/5xf3) | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,R-configuration) | Descriptor: | (1R,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | Deposit date: | 2017-04-07 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation Nat Commun, 8, 2017
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5XDV
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![BU of 5xdv by Molmil](/molmil-images/mine/5xdv) | Staphylococcus aureus FtsZ 12-316 G196S complexed with TXA6101 | Descriptor: | 3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ... | Authors: | Fujita, J, Maeda, Y, Mizohata, E, Inoue, T, Kaul, M, Parhi, A.K, LaVoie, E.J, Pilch, D.S, Matsumura, H. | Deposit date: | 2017-03-30 | Release date: | 2017-08-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ ACS Chem. Biol., 12, 2017
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6KVP
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![BU of 6kvp by Molmil](/molmil-images/mine/6kvp) | S. aureus FtsZ in complex with 3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxazol-2-yl)ethoxy)-2,6-difluorobenzamide (compound 2) | Descriptor: | 3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ... | Authors: | Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S. | Deposit date: | 2019-09-05 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens. Sci Rep, 9, 2019
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8F3C
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![BU of 8f3c by Molmil](/molmil-images/mine/8f3c) | Cryo-EM consensus structure of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand | Descriptor: | DNA (38-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G. | Deposit date: | 2022-11-09 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand. Nat.Struct.Mol.Biol., 30, 2023
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8EU9
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![BU of 8eu9 by Molmil](/molmil-images/mine/8eu9) | Class1 of the INO80-Nucleosome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | Deposit date: | 2022-10-18 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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6S0W
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![BU of 6s0w by Molmil](/molmil-images/mine/6s0w) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and kanamycin B sulfate | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, Kanamycin B dioxygenase, ... | Authors: | Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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8ETS
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![BU of 8ets by Molmil](/molmil-images/mine/8ets) | Class1 of the INO80-Hexasome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | Deposit date: | 2022-10-17 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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8ETU
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![BU of 8etu by Molmil](/molmil-images/mine/8etu) | Class2 of the INO80-Hexasome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | Deposit date: | 2022-10-17 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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