3UDE
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![BU of 3ude by Molmil](/molmil-images/mine/3ude) | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | Authors: | Shaw, G, Shi, G, Ji, X. | Deposit date: | 2011-10-28 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties. Bioorg.Med.Chem., 20, 2012
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3UD5
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![BU of 3ud5 by Molmil](/molmil-images/mine/3ud5) | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | Authors: | Shaw, G, Shi, G, Ji, X. | Deposit date: | 2011-10-27 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties. Bioorg.Med.Chem., 20, 2012
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3UDV
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![BU of 3udv by Molmil](/molmil-images/mine/3udv) | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | Authors: | Shaw, G, Shi, G, Ji, X. | Deposit date: | 2011-10-28 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties. Bioorg.Med.Chem., 20, 2012
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4PZV
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![BU of 4pzv by Molmil](/molmil-images/mine/4pzv) | Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2014-03-31 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis. Febs J., 281, 2014
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4F7V
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![BU of 4f7v by Molmil](/molmil-images/mine/4f7v) | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1D (HP26) | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | Authors: | Shaw, G, Shi, G, Ji, X. | Deposit date: | 2012-05-16 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New lead exhibits a distinct binding mode. Bioorg.Med.Chem., 20, 2012
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8SL9
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![BU of 8sl9 by Molmil](/molmil-images/mine/8sl9) | Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73 | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine, ... | Authors: | Shaw, G.X, Shi, G, Cherry, S, Needle, D, Tropea, J.E, Waugh, D.S, Ji, X. | Deposit date: | 2023-04-21 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73 To be published
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8SK1
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![BU of 8sk1 by Molmil](/molmil-images/mine/8sk1) | Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73 | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | Authors: | Shaw, G.X, Tropea, J.E, Shi, G, Waugh, D.S, Ji, X. | Deposit date: | 2023-04-18 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73 To be published
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8SIF
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![BU of 8sif by Molmil](/molmil-images/mine/8sif) | |
8T0S
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![BU of 8t0s by Molmil](/molmil-images/mine/8t0s) | Crystal structure of UBE2G2 adduct with phenethyl isothiocyanate (PEITC) at the Cys48 position | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase AMFR, Ubiquitin-conjugating enzyme E2 G2 | Authors: | Wang, C, Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2023-06-01 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of UBE2G2 adduct with phenethyl isothiocyanate (PEITC) at the Cys48 position To be published
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6AN4
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![BU of 6an4 by Molmil](/molmil-images/mine/6an4) | Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F) | Descriptor: | ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2017-08-12 | Release date: | 2018-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Bisubstrate analog inhibitors of HPPK: Transition state mimetics to be published
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6AN6
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![BU of 6an6 by Molmil](/molmil-images/mine/6an6) | Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72 | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2017-08-12 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Bisubstrate analogue inhibitors of HPPK: Transition state mimetics to be published
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7KDO
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![BU of 7kdo by Molmil](/molmil-images/mine/7kdo) | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73 | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2020-10-09 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding. Bioorg.Med.Chem., 29, 2021
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7KDR
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![BU of 7kdr by Molmil](/molmil-images/mine/7kdr) | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75 | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ... | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2020-10-09 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.488 Å) | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding. Bioorg.Med.Chem., 29, 2021
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1HKA
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![BU of 1hka by Molmil](/molmil-images/mine/1hka) | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE | Descriptor: | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE | Authors: | Xiao, B, Shi, G, Chen, X, Yan, H, Ji, X. | Deposit date: | 1998-09-29 | Release date: | 1999-06-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, a potential target for the development of novel antimicrobial agents. Structure Fold.Des., 7, 1999
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5H6K
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![BU of 5h6k by Molmil](/molmil-images/mine/5h6k) | DNA targeting ADP-ribosyltransferase Pierisin-1 | Descriptor: | 1,2-ETHANEDIOL, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5H6N
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![BU of 5h6n by Molmil](/molmil-images/mine/5h6n) | DNA targeting ADP-ribosyltransferase Pierisin-1, autoinhibitory form | Descriptor: | Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5H6L
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![BU of 5h6l by Molmil](/molmil-images/mine/5h6l) | DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+ | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5H6M
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![BU of 5h6m by Molmil](/molmil-images/mine/5h6m) | DNA targeting ADP-ribosyltransferase Pierisin-1 | Descriptor: | 1,2-ETHANEDIOL, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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1TMM
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![BU of 1tmm by Molmil](/molmil-images/mine/1tmm) | Crystal structure of ternary complex of E.coli HPPK(W89A) with MGAMPCPP and 6-Hydroxymethylpterin | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN, ACETATE ION, ... | Authors: | Blaszczyk, J, Li, Y, Wu, Y, Shi, G, Ji, X, Yan, H. | Deposit date: | 2004-06-10 | Release date: | 2005-06-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Is the Critical Role of Loop 3 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies. Biochemistry, 44, 2005
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1U7V
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![BU of 1u7v by Molmil](/molmil-images/mine/1u7v) | Crystal Structure of the phosphorylated Smad2/Smad4 heterotrimeric complex | Descriptor: | Mothers against decapentaplegic homolog 2, Mothers against decapentaplegic homolog 4 | Authors: | Chacko, B.M, Qin, B.Y, Tiwari, A, Shi, G, Lam, S, Hayward, L.J, de Caestecker, M, Lin, K. | Deposit date: | 2004-08-04 | Release date: | 2004-09-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of heteromeric smad protein assembly in tgf-Beta signaling Mol.Cell, 15, 2004
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1U7F
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![BU of 1u7f by Molmil](/molmil-images/mine/1u7f) | Crystal Structure of the phosphorylated Smad3/Smad4 heterotrimeric complex | Descriptor: | Mothers against decapentaplegic homolog 3, Mothers against decapentaplegic homolog 4 | Authors: | Chacko, B.M, Qin, B.Y, Tiwari, A, Shi, G, Lam, S, Hayward, L.J, de Caestecker, M, Lin, K. | Deposit date: | 2004-08-03 | Release date: | 2004-09-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of heteromeric smad protein assembly in tgf-Beta signaling Mol.Cell, 15, 2004
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7R94
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![BU of 7r94 by Molmil](/molmil-images/mine/7r94) | T-Plastin-F-actin complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Mei, L, Alushin, G.M. | Deposit date: | 2021-06-28 | Release date: | 2022-07-06 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural mechanism for bidirectional actin cross-linking by T-plastin. Proc.Natl.Acad.Sci.USA, 119, 2022
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5H6J
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![BU of 5h6j by Molmil](/molmil-images/mine/5h6j) | DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+ | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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7R8V
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![BU of 7r8v by Molmil](/molmil-images/mine/7r8v) | Cryo-EM structure of the ADP state actin filament | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Gong, R, Espinosa de los Reyes, S, Reynolds, M.J, Gurel, P, Alushin, G.M. | Deposit date: | 2021-06-27 | Release date: | 2021-07-28 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia. Sci Adv, 8, 2022
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7RB9
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![BU of 7rb9 by Molmil](/molmil-images/mine/7rb9) | Cryo-EM structure of the rigor state Jordan myosin-15-F-actin complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Gong, R, Reynolds, M.J, Gurel, P, Alushin, G.M. | Deposit date: | 2021-07-05 | Release date: | 2021-07-28 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia. Sci Adv, 8, 2022
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