4DVO
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![BU of 4dvo by Molmil](/molmil-images/mine/4dvo) | Room-temperature joint X-ray/neutron structure of D-xylose isomerase in complex with 2Ni2+ and per-deuterated D-sorbitol at pH 5.9 | 分子名称: | NICKEL (II) ION, Xylose isomerase, sorbitol | 著者 | Kovalevsky, A.Y, Hanson, L, Langan, P. | 登録日 | 2012-02-23 | 公開日 | 2012-08-29 | 最終更新日 | 2024-02-28 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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4DH8
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![BU of 4dh8 by Molmil](/molmil-images/mine/4dh8) | Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, AMP-PNP and IP20 | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | 著者 | Kovalevsky, A.Y, Langan, P. | 登録日 | 2012-01-27 | 公開日 | 2012-06-27 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012
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4O21
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![BU of 4o21 by Molmil](/molmil-images/mine/4o21) | Product complex of metal-free PKAc, ATP-gamma-S and SP20. | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Thio-phosphorylated peptide pSP20, cAMP-dependent protein kinase catalytic subunit alpha | 著者 | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S. | 登録日 | 2013-12-16 | 公開日 | 2014-05-28 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer. Biochemistry, 53, 2014
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4PDJ
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![BU of 4pdj by Molmil](/molmil-images/mine/4pdj) | Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ | 分子名称: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | 著者 | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | 登録日 | 2014-04-18 | 公開日 | 2015-04-15 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | 主引用文献 | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA, 111, 2014
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4O22
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![BU of 4o22 by Molmil](/molmil-images/mine/4o22) | Binary complex of metal-free PKAc with SP20. | 分子名称: | Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha. | 著者 | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S. | 登録日 | 2013-12-16 | 公開日 | 2014-05-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer. Biochemistry, 53, 2014
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4BIE
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![BU of 4bie by Molmil](/molmil-images/mine/4bie) | Crystal Structures of Ask1-inhibitor Complexes | 分子名称: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide | 著者 | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | 登録日 | 2013-04-10 | 公開日 | 2013-07-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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4BIB
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![BU of 4bib by Molmil](/molmil-images/mine/4bib) | Crystal Structures of Ask1-inhibitor Complexes | 分子名称: | 3-cyano-4-(piperidin-4-yloxy)-1H-indole-7-carboxamide, ACETATE ION, GLYCEROL, ... | 著者 | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | 登録日 | 2013-04-10 | 公開日 | 2013-07-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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4HKW
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![BU of 4hkw by Molmil](/molmil-images/mine/4hkw) | Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with Substrate and Products | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endo-1,4-beta-xylanase 2, ... | 著者 | Kovalevsky, A.Y, Wan, Q, Langan, P, Coates, L. | 登録日 | 2012-10-15 | 公開日 | 2014-01-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4XW4
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![BU of 4xw4 by Molmil](/molmil-images/mine/4xw4) | X-ray structure of PKAc with AMPPNP, SP20, calcium ions | 分子名称: | CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | 著者 | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | 登録日 | 2015-01-28 | 公開日 | 2015-05-06 | 最終更新日 | 2015-07-01 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT. J.Biol.Chem., 290, 2015
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4BHN
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![BU of 4bhn by Molmil](/molmil-images/mine/4bhn) | Crystal Structures of Ask1-inhibitor Complexes | 分子名称: | 4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5 | 著者 | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | 登録日 | 2013-04-04 | 公開日 | 2013-07-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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4BIC
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![BU of 4bic by Molmil](/molmil-images/mine/4bic) | Crystal Structures of Ask1-inhibitor Complexes | 分子名称: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide | 著者 | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | 登録日 | 2013-04-10 | 公開日 | 2013-07-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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5NGJ
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![BU of 5ngj by Molmil](/molmil-images/mine/5ngj) | Crystal structure of pb6, major tail tube protein of bacteriophage T5 | 分子名称: | CHLORIDE ION, Tail tube protein | 著者 | Arnaud, C.-A, Effantin, G, Vives, C, Engilberge, S, Bacia, M, Boulanger, P, Girard, E, Schoehn, G, Breyton, C. | 登録日 | 2017-03-17 | 公開日 | 2018-01-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Bacteriophage T5 tail tube structure suggests a trigger mechanism for Siphoviridae DNA ejection. Nat Commun, 8, 2017
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3X2V
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![BU of 3x2v by Molmil](/molmil-images/mine/3x2v) | Michaelis-like complex of cAMP-dependent Protein Kinase Catalytic Subunit | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | 著者 | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | 登録日 | 2015-01-02 | 公開日 | 2015-12-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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3X2U
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![BU of 3x2u by Molmil](/molmil-images/mine/3x2u) | Michaelis-like initial complex of cAMP-dependent Protein Kinase Catalytic Subunit. | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Substrate Peptide, ... | 著者 | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | 登録日 | 2015-01-02 | 公開日 | 2015-12-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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4A56
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![BU of 4a56 by Molmil](/molmil-images/mine/4a56) | Crystal structure of the type 2 secretion system pilotin from Klebsiella Oxytoca | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, PULLULANASE SECRETION PROTEIN PULS | 著者 | Tosi, T, Nickerson, N.N, Mollica, L, RingkjobingJensen, M, Blackledge, M, Baron, B, England, P, Pugsley, A.P, Dessen, A. | 登録日 | 2011-10-24 | 公開日 | 2011-12-07 | 最終更新日 | 2011-12-28 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Pilotin-Secretin Recognition in the Type II Secretion System of Klebsiella Oxytoca. Mol.Microbiol, 82, 2011
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4DH5
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![BU of 4dh5 by Molmil](/molmil-images/mine/4dh5) | Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ADP, Phosphate, and IP20 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Kovalevsky, A.Y, Langan, P. | 登録日 | 2012-01-27 | 公開日 | 2012-06-27 | 最終更新日 | 2013-01-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012
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4QYT
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![BU of 4qyt by Molmil](/molmil-images/mine/4qyt) | Schizosaccharomyces pombe DJ-1 | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein C22E12.03c | 著者 | Wilson, M.A. | 登録日 | 2014-07-25 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Influence of peptide dipoles and hydrogen bonds on reactive cysteine pK(a) values in fission yeast DJ-1. Febs J., 279, 2012
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1H3J
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![BU of 1h3j by Molmil](/molmil-images/mine/1h3j) | STRUCTURE OF RECOMBINANT COPRINUS CINEREUS PEROXIDASE DETERMINED TO 2.0 A | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MAGNESIUM ION, ... | 著者 | Petersen, J.F.W, Houborg, K, Harris, P, Larsen, S. | 登録日 | 2002-09-05 | 公開日 | 2003-06-12 | 最終更新日 | 2023-02-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Impact of the Physical and Chemical Environment on the Molecular Structure of Coprinus Cinereus Peroxidase Acta Crystallogr.,Sect.D, 59, 2003
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7SVM
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![BU of 7svm by Molmil](/molmil-images/mine/7svm) | DPP8 IN COMPLEX WITH LIGAND ICeD-2 | 分子名称: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | 登録日 | 2021-11-19 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVN
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![BU of 7svn by Molmil](/molmil-images/mine/7svn) | DPP9 IN COMPLEX WITH LIGAND ICeD-1 | 分子名称: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | 登録日 | 2021-11-19 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVO
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![BU of 7svo by Molmil](/molmil-images/mine/7svo) | DPP8 IN COMPLEX WITH LIGAND ICeD-1 | 分子名称: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | 登録日 | 2021-11-19 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVL
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![BU of 7svl by Molmil](/molmil-images/mine/7svl) | DPP9 IN COMPLEX WITH LIGAND ICeD-2 | 分子名称: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | 登録日 | 2021-11-19 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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3BYO
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![BU of 3byo by Molmil](/molmil-images/mine/3byo) | X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck | 分子名称: | 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | 著者 | Huang, X. | 登録日 | 2008-01-16 | 公開日 | 2008-12-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J.Med.Chem., 51, 2008
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7V99
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![BU of 7v99 by Molmil](/molmil-images/mine/7v99) | catalytic core of human telomerase holoenzyme | 分子名称: | Histone H2A type 1-B/E, Histone H2B type 1-K, Primer DNA, ... | 著者 | Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M. | 登録日 | 2021-08-24 | 公開日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | 主引用文献 | Zipper head mechanism of telomere synthesis by human telomerase. Cell Res., 31, 2021
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7V9A
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![BU of 7v9a by Molmil](/molmil-images/mine/7v9a) | biogenesis module of human telomerase holoenzyme | 分子名称: | H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ... | 著者 | Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M. | 登録日 | 2021-08-24 | 公開日 | 2022-03-30 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.94 Å) | 主引用文献 | Zipper head mechanism of telomere synthesis by human telomerase. Cell Res., 31, 2021
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