4R92
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![BU of 4r92 by Molmil](/molmil-images/mine/4r92) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide | 著者 | Orth, P, Strickland, C, Caldwell, J.P. | 登録日 | 2014-09-03 | 公開日 | 2014-11-05 | 最終更新日 | 2014-12-17 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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3K3O
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![BU of 3k3o by Molmil](/molmil-images/mine/3k3o) | Crystal structure of the catalytic core domain of human PHF8 complexed with alpha-ketoglutarate | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, PHD finger protein 8 | 著者 | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | 登録日 | 2009-10-03 | 公開日 | 2010-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural insights into a novel histone demethylase PHF8 Cell Res., 20, 2010
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4R8Y
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![BU of 4r8y by Molmil](/molmil-images/mine/4r8y) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | 分子名称: | (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Orth, P, Caldwell, J.P, Strickland, C. | 登録日 | 2014-09-03 | 公開日 | 2014-11-05 | 最終更新日 | 2014-12-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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3K3N
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![BU of 3k3n by Molmil](/molmil-images/mine/3k3n) | Crystal structure of the catalytic core domain of human PHF8 | 分子名称: | FE (II) ION, PHD finger protein 8 | 著者 | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | 登録日 | 2009-10-03 | 公開日 | 2010-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural insights into a novel histone demethylase PHF8 Cell Res., 20, 2010
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4R93
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![BU of 4r93 by Molmil](/molmil-images/mine/4r93) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium | 分子名称: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Orth, P, Strickland, C, Caldwell, J.P. | 登録日 | 2014-09-03 | 公開日 | 2014-11-05 | 最終更新日 | 2014-12-17 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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3LPI
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![BU of 3lpi by Molmil](/molmil-images/mine/3lpi) | Structure of BACE Bound to SCH745132 | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2010-02-05 | 公開日 | 2010-04-14 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
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3LPK
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![BU of 3lpk by Molmil](/molmil-images/mine/3lpk) | Structure of BACE Bound to SCH747123 | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2010-02-05 | 公開日 | 2010-04-14 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
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3LNK
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![BU of 3lnk by Molmil](/molmil-images/mine/3lnk) | Structure of BACE bound to SCH743813 | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Orth, P, Cumming, J. | 登録日 | 2010-02-02 | 公開日 | 2010-04-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
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3LPJ
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![BU of 3lpj by Molmil](/molmil-images/mine/3lpj) | Structure of BACE Bound to SCH743641 | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2010-02-05 | 公開日 | 2010-04-14 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
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7QJU
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![BU of 7qju by Molmil](/molmil-images/mine/7qju) | EED in complex with PRC2 allosteric inhibitor compound 7 | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | 登録日 | 2021-12-17 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QJG
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![BU of 7qjg by Molmil](/molmil-images/mine/7qjg) | EED in complex with PRC2 allosteric inhibitor compound 6 | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | 登録日 | 2021-12-16 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QK4
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![BU of 7qk4 by Molmil](/molmil-images/mine/7qk4) | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | 登録日 | 2021-12-17 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7V26
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![BU of 7v26 by Molmil](/molmil-images/mine/7v26) | XG005-bound SARS-CoV-2 S | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ... | 著者 | Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G. | 登録日 | 2021-08-07 | 公開日 | 2021-10-20 | 最終更新日 | 2022-07-06 | 実験手法 | ELECTRON MICROSCOPY (3.85 Å) | 主引用文献 | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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6AX3
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![BU of 6ax3 by Molmil](/molmil-images/mine/6ax3) | Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA) | 分子名称: | 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ... | 著者 | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | 登録日 | 2017-09-06 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7. Sci Rep, 8, 2018
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5GSA
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![BU of 5gsa by Molmil](/molmil-images/mine/5gsa) | EED in complex with an allosteric PRC2 inhibitor | 分子名称: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-08-15 | 公開日 | 2017-02-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of Nat. Chem. Biol., 13, 2017
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6AVS
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![BU of 6avs by Molmil](/molmil-images/mine/6avs) | Complex structure of JMJD5 and Symmetric Monomethyl-Arginine (MMA) | 分子名称: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, Lysine-specific demethylase 8, ZINC ION | 著者 | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | 登録日 | 2017-09-04 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7. Sci Rep, 8, 2018
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7KJS
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![BU of 7kjs by Molmil](/molmil-images/mine/7kjs) | Crystal structure of CDK2/cyclin E in complex with PF-06873600 | 分子名称: | 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | 著者 | McTigue, M.A, He, Y, Ferre, R.A. | 登録日 | 2020-10-26 | 公開日 | 2021-06-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.187 Å) | 主引用文献 | Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer. J.Med.Chem., 64, 2021
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4H3F
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![BU of 4h3f by Molmil](/molmil-images/mine/4h3f) | Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile | 分子名称: | 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-13 | 公開日 | 2012-11-07 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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4H3G
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![BU of 4h3g by Molmil](/molmil-images/mine/4h3g) | Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile | 分子名称: | 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-13 | 公開日 | 2012-11-07 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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4H3J
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![BU of 4h3j by Molmil](/molmil-images/mine/4h3j) | Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile | 分子名称: | 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-13 | 公開日 | 2012-10-17 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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4H3I
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![BU of 4h3i by Molmil](/molmil-images/mine/4h3i) | Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile | 分子名称: | 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-13 | 公開日 | 2012-11-07 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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4HA5
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![BU of 4ha5 by Molmil](/molmil-images/mine/4ha5) | Structure of BACE Bound to (S)-3-(5-(2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl)thiophen-3-yl)benzonitrile | 分子名称: | 3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-25 | 公開日 | 2012-10-17 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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7JUN
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![BU of 7jun by Molmil](/molmil-images/mine/7jun) | |
7V2A
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![BU of 7v2a by Molmil](/molmil-images/mine/7v2a) | SARS-CoV-2 Spike trimer in complex with XG014 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ... | 著者 | Wang, K, Wang, X, Pan, L. | 登録日 | 2021-08-07 | 公開日 | 2021-10-20 | 最終更新日 | 2022-07-06 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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6UIB
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![BU of 6uib by Molmil](/molmil-images/mine/6uib) | Crystal structure of IL23 bound to peptide 23-652 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | 著者 | Durbin, J.D, Wang, J, Afshar, S. | 登録日 | 2019-09-30 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage. Plos One, 15, 2020
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