5USH
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6WF5
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![BU of 6wf5 by Molmil](/molmil-images/mine/6wf5) | Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2) | 分子名称: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50 | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | 登録日 | 2020-04-03 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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6WFG
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![BU of 6wfg by Molmil](/molmil-images/mine/6wfg) | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | 分子名称: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | 登録日 | 2020-04-03 | 公開日 | 2020-07-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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6WFO
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![BU of 6wfo by Molmil](/molmil-images/mine/6wfo) | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | 分子名称: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | 登録日 | 2020-04-03 | 公開日 | 2020-07-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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4W5X
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6WFN
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![BU of 6wfn by Molmil](/molmil-images/mine/6wfn) | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology | 分子名称: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | 登録日 | 2020-04-03 | 公開日 | 2020-07-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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6WF3
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![BU of 6wf3 by Molmil](/molmil-images/mine/6wf3) | Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1) | 分子名称: | ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50 | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | 登録日 | 2020-04-03 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.291 Å) | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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6WFK
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![BU of 6wfk by Molmil](/molmil-images/mine/6wfk) | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | 分子名称: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | 登録日 | 2020-04-03 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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4WUM
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6XFN
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![BU of 6xfn by Molmil](/molmil-images/mine/6xfn) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243 | 分子名称: | 3C-like proteinase, GLYCEROL, UAW243 | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | 登録日 | 2020-06-15 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6XBI
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![BU of 6xbi by Molmil](/molmil-images/mine/6xbi) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | 登録日 | 2020-06-06 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6XBH
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![BU of 6xbh by Molmil](/molmil-images/mine/6xbh) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247 | 分子名称: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | 登録日 | 2020-06-06 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6XA4
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![BU of 6xa4 by Molmil](/molmil-images/mine/6xa4) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241 | 分子名称: | 3C-like proteinase, GLYCEROL, inhibitor UAW241 | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | 登録日 | 2020-06-03 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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7RN0
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7RN1
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6XBG
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![BU of 6xbg by Molmil](/molmil-images/mine/6xbg) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246 | 分子名称: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | 登録日 | 2020-06-05 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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8HWK
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![BU of 8hwk by Molmil](/molmil-images/mine/8hwk) | Limosilactobacillus reuteri N1 GtfB-maltohexaose | 分子名称: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | 著者 | Dong, J.J, Bai, Y.X. | 登録日 | 2022-12-30 | 公開日 | 2024-01-03 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme. J.Agric.Food Chem., 72, 2024
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8HW3
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![BU of 8hw3 by Molmil](/molmil-images/mine/8hw3) | Limosilactobacillus reuteri N1 GtfB-acarbose | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ... | 著者 | Dong, J.J, Bai, Y.X. | 登録日 | 2022-12-28 | 公開日 | 2024-01-03 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme. J.Agric.Food Chem., 72, 2024
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8CZ9
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6DJV
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![BU of 6djv by Molmil](/molmil-images/mine/6djv) | Mtb ClpB in complex with ATPgammaS and casein, Conformer 2 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | 著者 | Yu, H.J, Li, H.L. | 登録日 | 2018-05-26 | 公開日 | 2018-09-26 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DJU
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![BU of 6dju by Molmil](/molmil-images/mine/6dju) | Mtb ClpB in complex with ATPgammaS and casein, Conformer 1 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | 著者 | Yu, H.J, Li, H.L. | 登録日 | 2018-05-26 | 公開日 | 2018-09-26 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6ED3
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![BU of 6ed3 by Molmil](/molmil-images/mine/6ed3) | Mtb ClpB in complex with AMPPNP | 分子名称: | Chaperone protein ClpB | 著者 | Yu, H.J, Li, H.L. | 登録日 | 2018-08-08 | 公開日 | 2018-09-26 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (6.3 Å) | 主引用文献 | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6NCU
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7DTW
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![BU of 7dtw by Molmil](/molmil-images/mine/7dtw) | Human Calcium-Sensing Receptor in the inactive close-close conformation | 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, Extracellular calcium-sensing receptor | 著者 | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | 登録日 | 2021-01-06 | 公開日 | 2021-03-10 | 最終更新日 | 2021-04-14 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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7DTU
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![BU of 7dtu by Molmil](/molmil-images/mine/7dtu) | Human Calcium-Sensing Receptor bound with L-Trp | 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, Extracellular calcium-sensing receptor, ... | 著者 | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | 登録日 | 2021-01-06 | 公開日 | 2021-03-10 | 最終更新日 | 2021-04-14 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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