6OPS
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![BU of 6ops by Molmil](/molmil-images/mine/6ops) | HIV-1 Protease NL4-3 WT in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPW
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![BU of 6opw by Molmil](/molmil-images/mine/6opw) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, V82F, I84V Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3, SULFATE ION | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPU
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![BU of 6opu by Molmil](/molmil-images/mine/6opu) | HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPY
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![BU of 6opy by Molmil](/molmil-images/mine/6opy) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPT
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![BU of 6opt by Molmil](/molmil-images/mine/6opt) | HIV-1 Protease NL4-3 V82F, I84V Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3, SULFATE ION | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPX
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![BU of 6opx by Molmil](/molmil-images/mine/6opx) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, L76V, V82F, I84V Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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3OCI
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![BU of 3oci by Molmil](/molmil-images/mine/3oci) | Crystal structure of TBP (TATA box binding protein) | 分子名称: | 1,2-ETHANEDIOL, TRANSCRIPTION INITIATION FACTOR TFIID (TFIID-1) | 著者 | Cui, S, Wollmann, P, Moldt, M, Hopfner, K.-P. | 登録日 | 2010-08-10 | 公開日 | 2011-07-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | 主引用文献 | Structure and mechanism of the Swi2/Snf2 remodeller Mot1 in complex with its substrate TBP. Nature, 475, 2011
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4HOZ
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![BU of 4hoz by Molmil](/molmil-images/mine/4hoz) | The crystal structure of isomaltulose synthase mutant D241A from Erwinia rhapontici NX5 in complex with D-glucose | 分子名称: | CALCIUM ION, GLYCEROL, Sucrose isomerase, ... | 著者 | Xu, Z, Li, S, Xu, H, Zhou, J. | 登録日 | 2012-10-23 | 公開日 | 2013-10-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Structural Basis of Erwinia rhapontici Isomaltulose Synthase Plos One, 8, 2013
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4HJW
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6JI0
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![BU of 6ji0 by Molmil](/molmil-images/mine/6ji0) | Structure of RyR2 (F/A/C/Ca2+ dataset) | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | 著者 | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | 登録日 | 2019-02-19 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Modulation of cardiac ryanodine receptor 2 by calmodulin. Nature, 572, 2019
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6JIY
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![BU of 6jiy by Molmil](/molmil-images/mine/6jiy) | Structure of RyR2 (F/A/C/H-Ca2+/Ca2+CaM dataset) | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | 著者 | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | 登録日 | 2019-02-24 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Modulation of cardiac ryanodine receptor 2 by calmodulin. Nature, 572, 2019
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6JRS
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![BU of 6jrs by Molmil](/molmil-images/mine/6jrs) | Structure of RyR2 (*F/A/C/L-Ca2+/Ca2+-CaM dataset) | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | 著者 | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | 登録日 | 2019-04-05 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Modulation of cardiac ryanodine receptor 2 by calmodulin. Nature, 572, 2019
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4HXX
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![BU of 4hxx by Molmil](/molmil-images/mine/4hxx) | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1 | 分子名称: | (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ... | 著者 | Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1. Bioorg.Med.Chem., 21, 2013
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6KNV
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![BU of 6knv by Molmil](/molmil-images/mine/6knv) | THRb mutation with a novel agonist | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2019-08-07 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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1GSG
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![BU of 1gsg by Molmil](/molmil-images/mine/1gsg) | Structure of E.coli glutaminyl-tRNA synthetase complexed with trnagln and ATP at 2.8 Angstroms resolution | 分子名称: | GLUTAMINYL-TRNA SYNTHETASE, TRNAGLN | 著者 | Rould, M.A, Perona, J.J, Soell, D, Steitz, T.A. | 登録日 | 1990-04-03 | 公開日 | 1992-02-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of E. coli glutaminyl-tRNA synthetase complexed with tRNA(Gln) and ATP at 2.8 A resolution. Science, 246, 1989
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6KKE
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![BU of 6kke by Molmil](/molmil-images/mine/6kke) | THRb mutation with a novel agonist | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2019-07-25 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.577 Å) | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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6KKB
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![BU of 6kkb by Molmil](/molmil-images/mine/6kkb) | A novel agonist of THRb | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2019-07-24 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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6KNU
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![BU of 6knu by Molmil](/molmil-images/mine/6knu) | THRb mutation with a novel agonist | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta | 著者 | Yao, B.Q, Li, Y. | 登録日 | 2019-08-07 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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2O0U
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![BU of 2o0u by Molmil](/molmil-images/mine/2o0u) | Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-1-naphthalenecarboxamide | 分子名称: | Mitogen-activated protein kinase 10, N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE | 著者 | Rowland, P, Somers, D. | 登録日 | 2006-11-28 | 公開日 | 2007-02-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3. Bioorg.Med.Chem.Lett., 17, 2007
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7V06
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![BU of 7v06 by Molmil](/molmil-images/mine/7v06) | |
7TPS
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![BU of 7tps by Molmil](/molmil-images/mine/7tps) | Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Demonte, D.W, Maurer, M.F, Akutsu, M, Kimbung, Y.R, Logan, D.T, Walse, B. | 登録日 | 2022-01-26 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | The engineered CD80 variant fusion therapeutic davoceticept combines checkpoint antagonism with conditional CD28 costimulation for anti-tumor immunity. Nat Commun, 13, 2022
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4LAL
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![BU of 4lal by Molmil](/molmil-images/mine/4lal) | Crystal structure of Cordyceps militaris IDCase D323A mutant in complex with 5-carboxyl-uracil | 分子名称: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ... | 著者 | Xu, S, Li, W, Zhu, J, Ding, J. | 登録日 | 2013-06-20 | 公開日 | 2013-10-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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4LAM
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![BU of 4lam by Molmil](/molmil-images/mine/4lam) | Crystal structure of Cordyceps militaris IDCase D323N mutant in complex with 5-carboxyl-uracil | 分子名称: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ... | 著者 | Xu, S, Li, W, Zhu, J, Ding, J. | 登録日 | 2013-06-20 | 公開日 | 2013-10-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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2O2U
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![BU of 2o2u by Molmil](/molmil-images/mine/2o2u) | Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | 分子名称: | Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | 著者 | Somers, D, Rowland, P. | 登録日 | 2006-11-30 | 公開日 | 2007-02-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3. Bioorg.Med.Chem.Lett., 17, 2007
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6JRR
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![BU of 6jrr by Molmil](/molmil-images/mine/6jrr) | Structure of RyR2 (*F/A/C/L-Ca2+ dataset) | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | 著者 | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | 登録日 | 2019-04-05 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Modulation of cardiac ryanodine receptor 2 by calmodulin. Nature, 572, 2019
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