7XCZ
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7XDK
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![BU of 7xdk by Molmil](/molmil-images/mine/7xdk) | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab | 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, BA7054 fab, ... | 著者 | Liu, Z, Lui, S, Gao, Y. | 登録日 | 2022-03-27 | 公開日 | 2023-03-01 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XDA
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7XDB
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![BU of 7xdb by Molmil](/molmil-images/mine/7xdb) | Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab | 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, BA7208 fab, ... | 著者 | Liu, Z, Liu, S, Gao, Y.Z. | 登録日 | 2022-03-26 | 公開日 | 2023-03-01 | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XDL
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![BU of 7xdl by Molmil](/molmil-images/mine/7xdl) | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab | 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, BA7125 fab, ... | 著者 | Liu, Z, Liu, S, Yuanzhu, G. | 登録日 | 2022-03-27 | 公開日 | 2023-03-15 | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | 主引用文献 | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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8F86
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![BU of 8f86 by Molmil](/molmil-images/mine/8f86) | SIRT6 bound to an H3K9Ac nucleosome | 分子名称: | DNA (148-MER), Histone H2A type 1, Histone H2B, ... | 著者 | Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L. | 登録日 | 2022-11-21 | 公開日 | 2023-04-05 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation. J.Am.Chem.Soc., 145, 2023
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6AJH
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![BU of 6ajh by Molmil](/molmil-images/mine/6ajh) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235 | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ... | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.818 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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6AJI
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![BU of 6aji by Molmil](/molmil-images/mine/6aji) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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6AJF
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![BU of 6ajf by Molmil](/molmil-images/mine/6ajf) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Drug exporters of the RND superfamily-like protein,Endolysin, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.698 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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6AJG
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![BU of 6ajg by Molmil](/molmil-images/mine/6ajg) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109 | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ... | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.604 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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6AJJ
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![BU of 6ajj by Molmil](/molmil-images/mine/6ajj) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38 | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.794 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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4XNW
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![BU of 4xnw by Molmil](/molmil-images/mine/4xnw) | The human P2Y1 receptor in complex with MRS2500 | 分子名称: | P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate | 著者 | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | 登録日 | 2015-01-16 | 公開日 | 2015-04-01 | 最終更新日 | 2020-02-05 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Two disparate ligand-binding sites in the human P2Y1 receptor Nature, 520, 2015
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4XNV
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![BU of 4xnv by Molmil](/molmil-images/mine/4xnv) | The human P2Y1 receptor in complex with BPTU | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ... | 著者 | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | 登録日 | 2015-01-16 | 公開日 | 2015-04-01 | 最終更新日 | 2020-02-05 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Two disparate ligand-binding sites in the human P2Y1 receptor Nature, 520, 2015
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4YWZ
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![BU of 4ywz by Molmil](/molmil-images/mine/4ywz) | |
5GUT
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![BU of 5gut by Molmil](/molmil-images/mine/5gut) | The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A | 分子名称: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | 著者 | Chen, S.J, Ye, F. | 登録日 | 2016-08-31 | 公開日 | 2017-09-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1. ACS Chem. Biol., 13, 2018
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5GUV
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6A50
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![BU of 6a50 by Molmil](/molmil-images/mine/6a50) | structure of benzoylformate decarboxylases in complex with cofactor TPP | 分子名称: | MAGNESIUM ION, THIAMINE DIPHOSPHATE, benzoylformate decarboxylases | 著者 | Guo, Y, Wang, S, Nie, Y, Li, S. | 登録日 | 2018-06-21 | 公開日 | 2019-02-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Synthetic Pathway for Acetyl-Coenzyme A Biosynthesis Nat Commun, 2019
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6AKY
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![BU of 6aky by Molmil](/molmil-images/mine/6aky) | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide, C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ... | 著者 | Zhu, Y, Zhao, Q, Wu, B. | 登録日 | 2018-09-04 | 公開日 | 2018-10-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists. J. Med. Chem., 61, 2018
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6AKX
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![BU of 6akx by Molmil](/molmil-images/mine/6akx) | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 | 分子名称: | C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ... | 著者 | Zhu, Y, Zhao, Q, Wu, B. | 登録日 | 2018-09-04 | 公開日 | 2018-10-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists. J. Med. Chem., 61, 2018
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4MBS
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![BU of 4mbs by Molmil](/molmil-images/mine/4mbs) | Crystal Structure of the CCR5 Chemokine Receptor | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ... | 著者 | Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B. | 登録日 | 2013-08-19 | 公開日 | 2013-09-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex. Science, 341, 2013
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6AKW
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![BU of 6akw by Molmil](/molmil-images/mine/6akw) | Crystal structure of RNA dioxygenase bound with an inhibitor | 分子名称: | 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO | 著者 | Yang, C.-G, Huang, Y, Gan, J. | 登録日 | 2018-09-04 | 公開日 | 2019-05-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia. Cancer Cell, 35, 2019
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6M2Z
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![BU of 6m2z by Molmil](/molmil-images/mine/6m2z) | Crystal structure of a formolase, BFD variant M3 from Pseudomonas putida | 分子名称: | Benzoylformate decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | 著者 | Wei, H.L, Liu, W.D, Li, T.Z, Zhu, L.L. | 登録日 | 2020-03-02 | 公開日 | 2021-03-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Totally atom-economical synthesis of lactic acid from formaldehyde: combined bio-carboligation and chemo-rearrangement without the isolation of intermediate. Green Chem, 22, 2020
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6M2Y
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![BU of 6m2y by Molmil](/molmil-images/mine/6m2y) | Crystal structure of a formolase, BFD variant M6 from Pseudomonas putida | 分子名称: | Benzoylformate decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | 著者 | Wei, H.L, Liu, W.D, Li, T.Z, Zhu, L.L. | 登録日 | 2020-03-02 | 公開日 | 2021-03-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Totally atom-economical synthesis of lactic acid from formaldehyde: combined bio-carboligation and chemo-rearrangement without the isolation of intermediate. Green Chem, 22, 2020
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8IFQ
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![BU of 8ifq by Molmil](/molmil-images/mine/8ifq) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFS
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![BU of 8ifs by Molmil](/molmil-images/mine/8ifs) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 7 | 分子名称: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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