1IE3
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![BU of 1ie3 by Molmil](/molmil-images/mine/1ie3) | CRYSTAL STRUCTURE OF R153C E. COLI MALATE DEHYDROGENASE | 分子名称: | MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID | 著者 | Bell, J.K, Yennawar, H.P, Wright, S.K, Thompson, J.R, Viola, R.E, Banaszak, L.J. | 登録日 | 2001-04-05 | 公開日 | 2001-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Analyses of a Malate Dehydrogenase with a Variable Active Site J.Biol.Chem., 276, 2001
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5JN2
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![BU of 5jn2 by Molmil](/molmil-images/mine/5jn2) | Crystal structure of TgCDPK1 bound to NVPACU106 | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | 著者 | El Bakkouri, M, Walker, J.R, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | 登録日 | 2016-04-29 | 公開日 | 2016-05-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of TgCDPK1 bound to NVPACU106 To Be Published
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2BX4
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![BU of 2bx4 by Molmil](/molmil-images/mine/2bx4) | |
2BX3
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8DGG
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![BU of 8dgg by Molmil](/molmil-images/mine/8dgg) | Structure of glycosylated LAG-3 homodimer | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Silberstein, J.L, Mathews, I.I, Frank, J.A, Chan, K.-W, Fernandez, D, Du, J, Wang, J, Kong, X.-P, Cochran, J.R. | 登録日 | 2022-06-23 | 公開日 | 2022-08-17 | 最終更新日 | 2022-08-31 | 実験手法 | X-RAY DIFFRACTION (3.78 Å) | 主引用文献 | Structural basis for LAG-3 dimeric association and inhibition of T cell function To Be Published
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6UT2
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![BU of 6ut2 by Molmil](/molmil-images/mine/6ut2) | 3D structure of the leiomodin/tropomyosin binding interface | 分子名称: | Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide | 著者 | Tolkatchev, D, Smith, G.E, Helms, G.L, Cort, J.R, Kostyukova, A.S. | 登録日 | 2019-10-29 | 公開日 | 2020-09-30 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Leiomodin creates a leaky cap at the pointed end of actin-thin filaments. Plos Biol., 18, 2020
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1IZI
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![BU of 1izi by Molmil](/molmil-images/mine/1izi) | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | 分子名称: | CHLORIDE ION, proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | 著者 | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | 登録日 | 2002-10-02 | 公開日 | 2002-12-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains J.MOL.BIOL., 324, 2002
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5JJW
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![BU of 5jjw by Molmil](/molmil-images/mine/5jjw) | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain | 分子名称: | 1,2-ETHANEDIOL, Squamous cell carcinoma antigen recognized by T-cells 3, UNKNOWN ATOM OR ION, ... | 著者 | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | 登録日 | 2016-04-25 | 公開日 | 2016-05-04 | 最終更新日 | 2016-07-06 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain to be published
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2DN3
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![BU of 2dn3 by Molmil](/molmil-images/mine/2dn3) | 1.25A resolution crystal structure of human hemoglobin in the carbonmonoxy form | 分子名称: | CARBON MONOXIDE, Hemoglobin alpha subunit, Hemoglobin beta subunit, ... | 著者 | Park, S.-Y, Yokoyama, T, Shibayama, N, Shiro, Y, Tame, J.R. | 登録日 | 2006-04-25 | 公開日 | 2006-05-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | 1.25 a resolution crystal structures of human haemoglobin in the oxy, deoxy and carbonmonoxy forms. J.Mol.Biol., 360, 2006
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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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5J7D
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![BU of 5j7d by Molmil](/molmil-images/mine/5j7d) | Computationally Designed Thioredoxin dF106 | 分子名称: | COPPER (II) ION, Designed Thioredoxin dF106 | 著者 | Horowitz, S, Johansen, N, Olsen, J.G, Winther, J.R. | 登録日 | 2016-04-06 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Computational Redesign of Thioredoxin Is Hypersensitive toward Minor Conformational Changes in the Backbone Template. J.Mol.Biol., 428, 2016
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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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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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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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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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6UYB
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![BU of 6uyb by Molmil](/molmil-images/mine/6uyb) | Crystal structure of TEAD2 bound to Compound 1 | 分子名称: | (3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | 著者 | Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N. | 登録日 | 2019-11-12 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.543 Å) | 主引用文献 | Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling. Cell Rep, 31, 2020
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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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5IUT
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![BU of 5iut by Molmil](/molmil-images/mine/5iut) | STRUCTURE OF P450 2B4 F202W MUTANT | 分子名称: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Jang, H.-H, Halpert, J.R, Shah, M.B. | 登録日 | 2016-03-18 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
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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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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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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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