4XU5
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![BU of 4xu5 by Molmil](/molmil-images/mine/4xu5) | Crystal structure of MvINS bound to a bromine-derived 14C Diacylglycerol (DAG) at 2.1A resolution | Descriptor: | (2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate, DECANE, Uncharacterized protein, ... | Authors: | Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N. | Deposit date: | 2015-01-25 | Release date: | 2015-10-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels Science, 349, 2015
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4XU4
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![BU of 4xu4 by Molmil](/molmil-images/mine/4xu4) | Crystal structure of a mycobacterial Insig homolog MvINS from Mycobacterium vanbaalenii at 1.9A resolution | Descriptor: | DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Uncharacterized protein, nonyl beta-D-glucopyranoside | Authors: | Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N. | Deposit date: | 2015-01-25 | Release date: | 2015-10-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels Science, 349, 2015
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4XU6
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![BU of 4xu6 by Molmil](/molmil-images/mine/4xu6) | Crystal structure of cross-linked MvINS R77C trimer at 1.9A resolution | Descriptor: | N-TRIDECANOIC ACID, Uncharacterized protein, octyl beta-D-glucopyranoside | Authors: | Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N. | Deposit date: | 2015-01-25 | Release date: | 2015-10-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels Science, 349, 2015
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8IF5
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![BU of 8if5 by Molmil](/molmil-images/mine/8if5) | AFB1-AF26 APTAMER COMPLEX | Descriptor: | AFB1 DNA aptamer (26-MER), AFLATOXIN B1 | Authors: | Xu, G.H, Wang, C, Li, C.G. | Deposit date: | 2023-02-17 | Release date: | 2023-07-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for high-affinity recognition of aflatoxin B1 by a DNA aptamer. Nucleic Acids Res., 51, 2023
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7AMT
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![BU of 7amt by Molmil](/molmil-images/mine/7amt) | Structure of LuxR with DNA (activation) | Descriptor: | DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR | Authors: | Liu, B, Reverter, D. | Deposit date: | 2020-10-09 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
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7AMN
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![BU of 7amn by Molmil](/molmil-images/mine/7amn) | Structure of LuxR with DNA (repression) | Descriptor: | DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR | Authors: | Liu, B, Reverter, D. | Deposit date: | 2020-10-09 | Release date: | 2021-03-31 | Last modified: | 2021-04-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
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8W4U
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![BU of 8w4u by Molmil](/molmil-images/mine/8w4u) | human KCNQ2-CaM in complex with PIP2 and HN37 | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | Authors: | Ma, D, Li, X, Guo, J. | Deposit date: | 2023-08-25 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Ligand activation mechanisms of human KCNQ2 channel. Nat Commun, 14, 2023
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8W6A
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![BU of 8w6a by Molmil](/molmil-images/mine/8w6a) | |
8W6B
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![BU of 8w6b by Molmil](/molmil-images/mine/8w6b) | |
7EO8
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![BU of 7eo8 by Molmil](/molmil-images/mine/7eo8) | Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2021-04-21 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2808516 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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8GT6
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![BU of 8gt6 by Molmil](/molmil-images/mine/8gt6) | human STING With agonist HB3089 | Descriptor: | 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein | Authors: | Wang, Z, Yu, X. | Deposit date: | 2022-09-07 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation. Cell Discov, 8, 2022
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8GSZ
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![BU of 8gsz by Molmil](/molmil-images/mine/8gsz) | Structure of STING SAVI-related mutant V147L | Descriptor: | Stimulator of interferon genes protein | Authors: | Wang, Z, Yu, X. | Deposit date: | 2022-09-07 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation. Cell Discov, 8, 2022
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8IG4
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![BU of 8ig4 by Molmil](/molmil-images/mine/8ig4) | Crystal structure of SARS-Cov-2 main protease in complex with GC376 | Descriptor: | Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024
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7RJF
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![BU of 7rjf by Molmil](/molmil-images/mine/7rjf) | MOPD-1 mutant-L47W | Descriptor: | MALONATE ION, ZINC ION, [L47W]MOPD-1 | Authors: | Huawu, Y, Conan, K.W, Gordon, J.K, Brett, M.C, Yen-Hua, H, David, J.C. | Deposit date: | 2021-07-20 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Design of Potent Peptide Inhibitors of the PD-1:PD-L1 Interaction for Cancer Immunotherapy. J.Am.Chem.Soc., 143, 2021
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5WRE
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![BU of 5wre by Molmil](/molmil-images/mine/5wre) | Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | Descriptor: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | Authors: | Zhou, Z, Xu, Z.H. | Deposit date: | 2016-12-01 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms. Sci Rep, 7, 2017
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5B0D
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![BU of 5b0d by Molmil](/molmil-images/mine/5b0d) | Polyketide cyclase OAC from Cannabis sativa, Y27W mutant | Descriptor: | Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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5B09
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![BU of 5b09 by Molmil](/molmil-images/mine/5b09) | Polyketide cyclase OAC from Cannabis sativa bound with Olivetolic acid | Descriptor: | 2,4-bis(oxidanyl)-6-pentyl-benzoic acid, Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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5B0G
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![BU of 5b0g by Molmil](/molmil-images/mine/5b0g) | Polyketide cyclase OAC from Cannabis sativa, H78S mutant | Descriptor: | Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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7EO7
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![BU of 7eo7 by Molmil](/molmil-images/mine/7eo7) | Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | Deposit date: | 2021-04-21 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.24916625 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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5B0B
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![BU of 5b0b by Molmil](/molmil-images/mine/5b0b) | Polyketide cyclase OAC from Cannabis sativa, I7F mutant | Descriptor: | ACETATE ION, Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.187 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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5B08
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![BU of 5b08 by Molmil](/molmil-images/mine/5b08) | Polyketide cyclase OAC from Cannabis sativa | Descriptor: | Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.325 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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5B0A
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![BU of 5b0a by Molmil](/molmil-images/mine/5b0a) | Polyketide cyclase OAC from Cannabis sativa, H5Q mutant | Descriptor: | Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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5B0E
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![BU of 5b0e by Molmil](/molmil-images/mine/5b0e) | Polyketide cyclase OAC from Cannabis sativa, V59M mutant | Descriptor: | GLYCEROL, Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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5B0F
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![BU of 5b0f by Molmil](/molmil-images/mine/5b0f) | Polyketide cyclase OAC from Cannabis sativa, Y72F mutant | Descriptor: | GLYCEROL, Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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5B0C
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![BU of 5b0c by Molmil](/molmil-images/mine/5b0c) | Polyketide cyclase OAC from Cannabis sativa, Y27F mutant | Descriptor: | Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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