5W5O
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7R1U
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![BU of 7r1u by Molmil](/molmil-images/mine/7r1u) | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor | 分子名称: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | 登録日 | 2022-02-03 | 公開日 | 2022-06-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. Protein Sci., 31, 2022
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7R1T
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![BU of 7r1t by Molmil](/molmil-images/mine/7r1t) | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the SS148 inhibitor | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | 登録日 | 2022-02-03 | 公開日 | 2022-06-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. Protein Sci., 31, 2022
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6V2J
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![BU of 6v2j by Molmil](/molmil-images/mine/6v2j) | Crystal structure of ClC-ec1 triple mutant (E113Q, E148Q, E203Q) | 分子名称: | CHLORIDE ION, H(+)/Cl(-) exchange transporter ClcA | 著者 | Maduke, M, Mathews, I.I, Chavan, T.S. | 登録日 | 2019-11-24 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | A CLC-ec1 mutant reveals global conformational change and suggests a unifying mechanism for the CLC Cl - /H + transport cycle. Elife, 9, 2020
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8CY5
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![BU of 8cy5 by Molmil](/molmil-images/mine/8cy5) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 39 | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXX
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![BU of 8cxx by Molmil](/molmil-images/mine/8cxx) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 6 | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY3
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![BU of 8cy3 by Molmil](/molmil-images/mine/8cy3) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 15 | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-[3-(4-aminophenyl)propyl]adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXS
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![BU of 8cxs by Molmil](/molmil-images/mine/8cxs) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MTA | 分子名称: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DNA Strand 1, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXT
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![BU of 8cxt by Molmil](/molmil-images/mine/8cxt) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-benzyladenosine (Compound 1) | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXV
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![BU of 8cxv by Molmil](/molmil-images/mine/8cxv) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 3 | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY1
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![BU of 8cy1 by Molmil](/molmil-images/mine/8cy1) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 19 | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(5-phenylpentyl)adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXZ
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![BU of 8cxz by Molmil](/molmil-images/mine/8cxz) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(3-Phenylpropyl)adenosine (Compound 14) | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(3-phenylpropyl)adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXY
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![BU of 8cxy by Molmil](/molmil-images/mine/8cxy) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(2-Phenethyl)adenosine (Compound 8) | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXU
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![BU of 8cxu by Molmil](/molmil-images/mine/8cxu) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 2 | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY2
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![BU of 8cy2 by Molmil](/molmil-images/mine/8cy2) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor APNEA (Compound 9) | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXW
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![BU of 8cxw by Molmil](/molmil-images/mine/8cxw) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor piclidenoson (Compound 4) | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY0
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![BU of 8cy0 by Molmil](/molmil-images/mine/8cy0) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MC4756 (Compound 178) | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(4-phenylbutyl)adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY4
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![BU of 8cy4 by Molmil](/molmil-images/mine/8cy4) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 16 | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-[3-(4-hydroxyphenyl)propyl]adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8FS1
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![BU of 8fs1 by Molmil](/molmil-images/mine/8fs1) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | 分子名称: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2023-01-09 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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8FS2
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![BU of 8fs2 by Molmil](/molmil-images/mine/8fs2) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | 分子名称: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2023-01-09 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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8POB
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5EAR
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![BU of 5ear by Molmil](/molmil-images/mine/5ear) | Crystal structure of human WDR5 in complex with compound 9d | 分子名称: | 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ... | 著者 | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2015-10-16 | 公開日 | 2015-11-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
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3UWP
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![BU of 3uwp by Molmil](/molmil-images/mine/3uwp) | Crystal structure of Dot1l in complex with 5-iodotubercidin | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | 著者 | Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2011-12-02 | 公開日 | 2012-03-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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8PIW
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5EAM
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![BU of 5eam by Molmil](/molmil-images/mine/5eam) | Crystal structure of human WDR5 in complex with compound 9o | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ... | 著者 | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2015-10-16 | 公開日 | 2015-11-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
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