1P99
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![BU of 1p99 by Molmil](/molmil-images/mine/1p99) | 1.7A crystal structure of protein PG110 from Staphylococcus aureus | 分子名称: | GLYCINE, Hypothetical protein PG110, METHIONINE | 著者 | Zhang, R, Zhou, M, Joachimiak, G, Schneewind, O, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2003-05-09 | 公開日 | 2004-01-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The membrane-associated lipoprotein-9 GmpC from Staphylococcus aureus binds the dipeptide GlyMet via side chain interactions. Biochemistry, 43, 2004
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1YWQ
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6CZN
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![BU of 6czn by Molmil](/molmil-images/mine/6czn) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Z2OHTPE and a glucocorticoid receptor-interacting protein 1 NR box II peptide | 分子名称: | 4,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol, Estrogen receptor, GRIP Peptide | 著者 | Fanning, S.W, Han, R, Maximov, P, Jordan, V.C, Greene, G.L. | 登録日 | 2018-04-09 | 公開日 | 2019-03-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Z2OHTPE and a glucocorticoid receptor-interacting protein 1 NR box II peptide To Be Published
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7ZSD
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![BU of 7zsd by Molmil](/molmil-images/mine/7zsd) | cryo-EM structure of omicron spike in complex with de novo designed binder, local | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | 登録日 | 2022-05-06 | 公開日 | 2023-03-01 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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7ZSS
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![BU of 7zss by Molmil](/molmil-images/mine/7zss) | cryo-EM structure of D614 spike in complex with de novo designed binder | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | 登録日 | 2022-05-08 | 公開日 | 2023-03-01 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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7ZRV
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![BU of 7zrv by Molmil](/molmil-images/mine/7zrv) | cryo-EM structure of omicron spike in complex with de novo designed binder, full map | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ... | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | 登録日 | 2022-05-05 | 公開日 | 2023-03-08 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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4UVD
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![BU of 4uvd by Molmil](/molmil-images/mine/4uvd) | Discovery of pyrimidine isoxazoles InhA in complex with compound 6 | 分子名称: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVE
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![BU of 4uve by Molmil](/molmil-images/mine/4uve) | Discovery of pyrimidine isoxazoles InhA in complex with compound 9 | 分子名称: | 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVG
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![BU of 4uvg by Molmil](/molmil-images/mine/4uvg) | Discovery of pyrimidine isoxazoles InhA in complex with compound 15 | 分子名称: | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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8USR
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![BU of 8usr by Molmil](/molmil-images/mine/8usr) | IL17A homodimer complexed to Compound 23 | 分子名称: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | 著者 | Argiriadi, M.A, Ramos, A.L. | 登録日 | 2023-10-29 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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8USS
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![BU of 8uss by Molmil](/molmil-images/mine/8uss) | IL17A complexed to Compound 7 | 分子名称: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | 著者 | Argiriadi, M.A, Ramos, A.L. | 登録日 | 2023-10-29 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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8XJK
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![BU of 8xjk by Molmil](/molmil-images/mine/8xjk) | Cloprosetnol bound Prostaglandin F2-alpha receptor-Gq Protein Complex | 分子名称: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ... | 著者 | Zhang, X, Li, X, Liu, G, Gong, W. | 登録日 | 2023-12-21 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | 主引用文献 | Structural basis for ligand recognition and activation of the prostanoid receptors. Cell Rep, 43, 2024
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8XJO
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![BU of 8xjo by Molmil](/molmil-images/mine/8xjo) | U46619 bound Thromboxane A2 receptor-Gq Protein Complex | 分子名称: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ... | 著者 | Zhang, X, Li, X, Liu, G, Gong, W. | 登録日 | 2023-12-21 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.11 Å) | 主引用文献 | Structural basis for ligand recognition and activation of the prostanoid receptors. Cell Rep, 43, 2024
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8XJN
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![BU of 8xjn by Molmil](/molmil-images/mine/8xjn) | Cloprosetnol bound Thromboxane A2 receptor-Gq Protein Complex | 分子名称: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ... | 著者 | Zhang, X, Li, X, Liu, G, Gong, W. | 登録日 | 2023-12-21 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | 主引用文献 | Structural basis for ligand recognition and activation of the prostanoid receptors. Cell Rep, 43, 2024
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8XJL
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![BU of 8xjl by Molmil](/molmil-images/mine/8xjl) | PGF2-alpha bound Prostaglandin F2-alpha receptor-Gq Protein Complex | 分子名称: | (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ... | 著者 | Zhang, X, Li, X, Liu, G, Gong, W. | 登録日 | 2023-12-21 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | 主引用文献 | Structural basis for ligand recognition and activation of the prostanoid receptors. Cell Rep, 43, 2024
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8XJM
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![BU of 8xjm by Molmil](/molmil-images/mine/8xjm) | Latanoprost acid bound Prostaglandin F2-alpha receptor-Gq Protein Complex | 分子名称: | Antibody fragment scFv16, Engineered miniGq, Fusion tag,Prostaglandin F2-alpha receptor,LgBiT, ... | 著者 | Zhang, X, Li, X, Liu, G, Gong, W. | 登録日 | 2023-12-21 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | 主引用文献 | Structural basis for ligand recognition and activation of the prostanoid receptors. Cell Rep, 43, 2024
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8XSF
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![BU of 8xsf by Molmil](/molmil-images/mine/8xsf) | SARS-CoV-2 RBD + IMCAS-364 + hACE2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, IMCAS-364 H chain, ... | 著者 | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | 登録日 | 2024-01-09 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.16 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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8XSI
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![BU of 8xsi by Molmil](/molmil-images/mine/8xsi) | SARS-CoV-2 RBD + IMCAS-364 (Local Refinement) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-364 H chain, IMCAS-364 L chain, ... | 著者 | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | 登録日 | 2024-01-09 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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8XSE
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![BU of 8xse by Molmil](/molmil-images/mine/8xse) | SARS-CoV-2 RBD + IMCAS-123 + IMCAS-72 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-123 H chain, IMCAS-123 L chain, ... | 著者 | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | 登録日 | 2024-01-09 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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8Y0Y
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![BU of 8y0y by Molmil](/molmil-images/mine/8y0y) | Cryo-EM structure of the 123-316 scDb/PT-RBD complex | 分子名称: | 123-316 scDb, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Jia, G.W, Tong, Z, Tong, J.Y, Su, Z.M. | 登録日 | 2024-01-23 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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8XSJ
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![BU of 8xsj by Molmil](/molmil-images/mine/8xsj) | SARS-CoV-2 Omicron BA.4 RBD + IMCAS-316 + ACE2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | 著者 | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | 登録日 | 2024-01-09 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.61 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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8XSL
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![BU of 8xsl by Molmil](/molmil-images/mine/8xsl) | SARS-CoV-2 spike + IMCAS-123 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-123 heavy chain, ... | 著者 | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | 登録日 | 2024-01-09 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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5UOI
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![BU of 5uoi by Molmil](/molmil-images/mine/5uoi) | Solution structure of the de novo mini protein HHH_rd1_0142 | 分子名称: | HHH_rd1_0142 | 著者 | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | 登録日 | 2017-01-31 | 公開日 | 2017-07-26 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Global analysis of protein folding using massively parallel design, synthesis, and testing. Science, 357, 2017
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4QQX
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![BU of 4qqx by Molmil](/molmil-images/mine/4qqx) | Crystal structure of T. fusca Cas3-ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ... | 著者 | Ke, A, Huo, Y, Nam, K.H. | 登録日 | 2014-06-30 | 公開日 | 2014-08-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | 主引用文献 | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol., 21, 2014
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4QQW
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![BU of 4qqw by Molmil](/molmil-images/mine/4qqw) | Crystal structure of T. fusca Cas3 | 分子名称: | CRISPR-associated helicase, Cas3 family, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ... | 著者 | Ke, A, Huo, Y, Nam, K.H. | 登録日 | 2014-06-30 | 公開日 | 2014-08-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.664 Å) | 主引用文献 | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol., 21, 2014
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