4TUH
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![BU of 4tuh by Molmil](/molmil-images/mine/4tuh) | Bcl-xL in complex with inhibitor (Compound 10) | 分子名称: | 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid, ACETATE ION, ... | 著者 | Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M. | 登録日 | 2014-06-24 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL. Acs Med.Chem.Lett., 5, 2014
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3MOW
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![BU of 3mow by Molmil](/molmil-images/mine/3mow) | Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1 | 分子名称: | (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Zhang, Z.-Y, Liu, S, Yu, Z, Yu, X. | 登録日 | 2010-04-23 | 公開日 | 2011-05-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1 To be Published
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4OBP
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![BU of 4obp by Molmil](/molmil-images/mine/4obp) | MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | 著者 | Harris, S.F, Wu, P. | 登録日 | 2014-01-07 | 公開日 | 2014-04-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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4OBO
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![BU of 4obo by Molmil](/molmil-images/mine/4obo) | MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-01-07 | 公開日 | 2014-04-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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7C53
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![BU of 7c53 by Molmil](/molmil-images/mine/7c53) | |
6X4Q
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![BU of 6x4q by Molmil](/molmil-images/mine/6x4q) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33) | 分子名称: | (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-22 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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5EA6
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![BU of 5ea6 by Molmil](/molmil-images/mine/5ea6) | Crystal Structure of Inhibitor BTA-9881 in Complex with Prefusion RSV F Glycoprotein | 分子名称: | (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Fusion glycoprotein F0, ... | 著者 | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | 登録日 | 2015-10-15 | 公開日 | 2015-12-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat.Chem.Biol., 12, 2016
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5EA5
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![BU of 5ea5 by Molmil](/molmil-images/mine/5ea5) | Crystal Structure of Inhibitor TMC-353121 in Complex with Prefusion RSV F Glycoprotein | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, D(-)-TARTARIC ACID, ... | 著者 | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | 登録日 | 2015-10-15 | 公開日 | 2015-12-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat.Chem.Biol., 12, 2016
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5EA7
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![BU of 5ea7 by Molmil](/molmil-images/mine/5ea7) | Crystal Structure of Inhibitor BMS-433771 in Complex with Prefusion RSV F Glycoprotein | 分子名称: | 1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Fusion glycoprotein F0, ... | 著者 | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | 登録日 | 2015-10-15 | 公開日 | 2015-12-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.851 Å) | 主引用文献 | Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat.Chem.Biol., 12, 2016
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3L8E
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![BU of 3l8e by Molmil](/molmil-images/mine/3l8e) | Crystal Structure of apo form of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli | 分子名称: | ACETIC ACID, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION | 著者 | Nguyen, H, Peisach, E, Allen, K.N. | 登録日 | 2009-12-31 | 公開日 | 2010-02-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) . Biochemistry, 49, 2010
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3J9B
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![BU of 3j9b by Molmil](/molmil-images/mine/3j9b) | Electron cryo-microscopy of an RNA polymerase | 分子名称: | Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ... | 著者 | Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F. | 登録日 | 2014-12-16 | 公開日 | 2015-02-18 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution. Mol.Cell, 2015
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8ZSS
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![BU of 8zss by Molmil](/molmil-images/mine/8zss) | Cryo-EM structure of the RO5263397-bound hTAAR1-Gs complex | 分子名称: | (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Jiang, K.X, Zheng, Y, Xu, F. | 登録日 | 2024-06-05 | 公開日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | 主引用文献 | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8ZSJ
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![BU of 8zsj by Molmil](/molmil-images/mine/8zsj) | Cryo-EM structure of the apo hTAAR1-Gs complex | 分子名称: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Jiang, K.X, Zheng, Y, Xu, F. | 登録日 | 2024-06-05 | 公開日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8ZSV
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![BU of 8zsv by Molmil](/molmil-images/mine/8zsv) | Cryo-EM structure of the RO5263397-bound mTAAR1-Gs complex | 分子名称: | (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Jiang, K.X, Zheng, Y, Xu, F. | 登録日 | 2024-06-05 | 公開日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | 主引用文献 | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8ZSP
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![BU of 8zsp by Molmil](/molmil-images/mine/8zsp) | Cryo-EM structure of the LSD-bound hTAAR1-Gs complex | 分子名称: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Jiang, K.X, Zheng, Y, Xu, F. | 登録日 | 2024-06-05 | 公開日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8XLM
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![BU of 8xlm by Molmil](/molmil-images/mine/8xlm) | Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein in complex with ACE2 (1-up state) | 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, Processed angiotensin-converting enzyme 2, ... | 著者 | Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K. | 登録日 | 2023-12-26 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | 主引用文献 | Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant. Microbiol Immunol, 2024
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8XLN
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![BU of 8xln by Molmil](/molmil-images/mine/8xln) | Structure of the SARS-CoV-2 EG.5.1 spike RBD in complex with 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, Processed angiotensin-converting enzyme 2, ... | 著者 | Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K. | 登録日 | 2023-12-26 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.78 Å) | 主引用文献 | Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant. Microbiol Immunol, 2024
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8YQQ
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![BU of 8yqq by Molmil](/molmil-images/mine/8yqq) | Structure of HKU1B RBD with TMPRSS2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, Transmembrane protease serine 2 | 著者 | Gao, X, Cui, S, Ding, W, Zhu, K, Shang, K, Zhu, H. | 登録日 | 2024-03-19 | 公開日 | 2024-08-28 | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | 主引用文献 | Structural basis for the interaction between human coronavirus HKU1 spike receptor binding domain and its receptor TMPRSS2. Cell Discov, 10, 2024
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8YOY
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![BU of 8yoy by Molmil](/molmil-images/mine/8yoy) | Structure of HKU1A RBD with TMPRSS2 | 分子名称: | Spike protein S1, Transmembrane protease serine 2 | 著者 | Gao, X, Cui, S, Ding, W, Shang, K, Zhu, H, Zhu, K. | 登録日 | 2024-03-14 | 公開日 | 2024-08-28 | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | 主引用文献 | Structural basis for the interaction between human coronavirus HKU1 spike receptor binding domain and its receptor TMPRSS2. Cell Discov, 10, 2024
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8SAK
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![BU of 8sak by Molmil](/molmil-images/mine/8sak) | BtCoV-422 in complex with neutralizing antibody JC57-11 | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | McFadden, E, McLellan, J.S. | 登録日 | 2023-04-01 | 公開日 | 2023-10-04 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | A MERS-CoV antibody neutralizes a pre-emerging group 2c bat coronavirus. Sci Transl Med, 15, 2023
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8SLN
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![BU of 8sln by Molmil](/molmil-images/mine/8sln) | |
8SLM
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![BU of 8slm by Molmil](/molmil-images/mine/8slm) | Crystal structure of Deinococcus geothermalis PprI | 分子名称: | MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ... | 著者 | Zhao, Y, Lu, H. | 登録日 | 2023-04-23 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA. Nat Commun, 15, 2024
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7KMG
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![BU of 7kmg by Molmil](/molmil-images/mine/7kmg) | LY-CoV555 neutralizing antibody against SARS-CoV-2 | 分子名称: | GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ... | 著者 | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | 登録日 | 2020-11-02 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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6Z45
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![BU of 6z45 by Molmil](/molmil-images/mine/6z45) | CDK9-Cyclin-T1 complex bound by compound 24 | 分子名称: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | 著者 | Ferguson, A, Collie, G.W. | 登録日 | 2020-05-22 | 公開日 | 2020-12-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.37 Å) | 主引用文献 | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies. J.Med.Chem., 63, 2020
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7KMH
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![BU of 7kmh by Molmil](/molmil-images/mine/7kmh) | LY-CoV488 neutralizing antibody against SARS-CoV-2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ... | 著者 | Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A. | 登録日 | 2020-11-02 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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