6HQP
 
 | | Crystal structure of GcoA F169V bound to guaiacol | | 分子名称: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2018-09-25 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQO
 | | Crystal structure of GcoA F169S bound to guaiacol | | 分子名称: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2018-09-25 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQN
 | | Crystal structure of GcoA F169L bound to guaiacol | | 分子名称: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2018-09-25 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQL
 | | Crystal structure of GcoA F169H bound to guaiacol | | 分子名称: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2018-09-25 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQT
 | | Crystal structure of GcoA F169V bound to syringol | | 分子名称: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2018-09-25 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4UXH
 | | Leishmania major Thymidine Kinase in complex with AP5dT | | 分子名称: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDINE KINASE, ZINC ION | | 著者 | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | | 登録日 | 2014-08-22 | | 公開日 | 2015-05-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
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4UU9
 | | Crystal structure of the human c5a in complex with MEDI7814 a neutralising antibody | | 分子名称: | COMPLEMENT C5, MEDI7814, SULFATE ION | | 著者 | Colley, C, Sridharan, S, Dobson, C, Popovic, B, Debreczeni, J.E, Hargreaves, D, Edwards, B, Brennan, J, England, L, Fung, S, An Eghobamien, L, Sivars, U, Woods, R, Flavell, L, Renshaw, G.J, Wickson, K, Wilkinson, T, Davies, R, Bonnell, J, Warrener, P, Howes, R, Vaughan, T. | | 登録日 | 2014-07-25 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structure and characterization of a high affinity C5a monoclonal antibody that blocks binding to C5aR1 and C5aR2 receptors.
MAbs, 10, 2018
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4V0G
 | | JAK3 in complex with a covalent EGFR inhibitor | | 分子名称: | N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide, TYROSINE-PROTEIN KINASE JAK3 | | 著者 | Debreczeni, J.E, Hennessy, E.J, Chuaquini, C, Ashton, S, Coclough, N, Cross, D.A.E, Eberlein, C, Gingipalli, L, Klinowska, T.C.M, Orme, J.P, Sha, L, Wu, X. | | 登録日 | 2014-09-16 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Utilisation of Structure Based Design to Identify Novel, Irreversible Inhibitors of the Epidermal Growth Factor Receptor (Egfr) Harboring the Gatekeeper T790M Mutation
To be Published
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4IVZ
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9AX6
 | | Tricomplex of RMC-6236, KRAS G12D, and CypA | | 分子名称: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | 登録日 | 2024-03-05 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
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4IWR
 | | C.Esp1396I bound to a 25 base pair operator site | | 分子名称: | DNA (25-MER), Regulatory protein | | 著者 | Martin, R.N.A, McGeehan, J.E, Ball, N.J, Streeter, S.D, Thresh, S.-J, Kneale, G.G. | | 登録日 | 2013-01-24 | | 公開日 | 2013-09-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural analysis of DNA-protein complexes regulating the restriction-modification system Esp1396I.
Acta Crystallogr.,Sect.F, 69, 2013
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5FNQ
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | 3-(4-CHLOROPHENYL)PROPANOIC ACID, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2015-11-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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5FZN
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2016-03-15 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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5FNU
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2015-11-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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5FNR
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2015-11-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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5FNT
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2015-11-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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5FZJ
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2016-03-14 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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5FNS
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2015-11-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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4UIF
 | | Cryo-EM structure of Dengue virus serotype 2 in complex with antigen-binding fragments of human antibody 2D22 | | 分子名称: | ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN PVP94 07 - ENVELOPE PROTEIN, ... | | 著者 | Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.-N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe Junior, J.E, Lok, S.-M. | | 登録日 | 2015-03-30 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | | 主引用文献 | Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers.
Science, 349, 2015
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5UQY
 | | Crystal structure of Marburg virus GP in complex with the human survivor antibody MR78 | | 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, ENVELOPE GLYCOPROTEIN GP1, ... | | 著者 | Hashiguchi, T, Fusco, M.L, Hastie, K.M, Bomholdt, Z.A, Lee, J.E, Flyak, A.I, Matsuoka, R, Kohda, D, Yanagi, Y, Hammel, M, Crowe, J.E, Saphire, E.O. | | 登録日 | 2017-02-08 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Structural basis for Marburg virus neutralization by a cross-reactive human antibody.
Cell, 160, 2015
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7QJR
 | | Crystal structure of cutinase 1 from Thermobifida fusca DSM44342 (703) | | 分子名称: | Cutinase 1, TETRAETHYLENE GLYCOL | | 著者 | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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7QJQ
 | | Crystal structure of a cutinase enzyme from Thermobifida fusca NTU22 (702) | | 分子名称: | Acetylxylan esterase, DI(HYDROXYETHYL)ETHER | | 著者 | Zahn, M, Gill, R.S, Avilan, L, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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7QJP
 | | Crystal structure of a cutinase enzyme from Saccharopolyspora flava (611) | | 分子名称: | Cutinase, TETRAETHYLENE GLYCOL | | 著者 | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.561 Å) | | 主引用文献 | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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7QJO
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7QJT
 | | Crystal structure of a cutinase enzyme from Thermobifida cellulosilytica TB100 (711) | | 分子名称: | GLYCEROL, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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