2FUE
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![BU of 2fue by Molmil](/molmil-images/mine/2fue) | Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound | Descriptor: | 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1 | Authors: | Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2006-01-26 | Release date: | 2006-03-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a. J.Biol.Chem., 281, 2006
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8G59
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![BU of 8g59 by Molmil](/molmil-images/mine/8g59) | Cryo-EM structure of the TUG891 bound GPR120-Giq complex | Descriptor: | 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-08 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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6KO0
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![BU of 6ko0 by Molmil](/molmil-images/mine/6ko0) | The crystal structue of PDE10A complexed with 1i | Descriptor: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.600029 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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6KO1
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![BU of 6ko1 by Molmil](/molmil-images/mine/6ko1) | The crystal structue of PDE10A complexed with 2d | Descriptor: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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6ODB
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![BU of 6odb by Molmil](/molmil-images/mine/6odb) | Crystal structure of HDAC8 in complex with compound 3 | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODC
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![BU of 6odc by Molmil](/molmil-images/mine/6odc) | Crystal structure of HDAC8 in complex with compound 30 | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODA
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![BU of 6oda by Molmil](/molmil-images/mine/6oda) | Crystal structure of HDAC8 in complex with compound 2 | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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8GY0
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![BU of 8gy0 by Molmil](/molmil-images/mine/8gy0) | Agrocybe pediades linalool sunthase (Ap.LS) | Descriptor: | Terpene synthase | Authors: | Rehka, T, Sharma, D, Lin, F, Lim, C, Choong, Y.K, Chacko, J, Zhang, C. | Deposit date: | 2022-09-21 | Release date: | 2023-04-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.988 Å) | Cite: | Structural Understanding of Fungal Terpene Synthases for the Formation of Linear or Cyclic Terpene Products. Acs Catalysis, 13, 2023
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6T8W
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![BU of 6t8w by Molmil](/molmil-images/mine/6t8w) | Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | Descriptor: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ... | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | Deposit date: | 2019-10-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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6T8V
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![BU of 6t8v by Molmil](/molmil-images/mine/6t8v) | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | Descriptor: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | Deposit date: | 2019-10-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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6T8U
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![BU of 6t8u by Molmil](/molmil-images/mine/6t8u) | Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | Descriptor: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | Deposit date: | 2019-10-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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7Y5N
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![BU of 7y5n by Molmil](/molmil-images/mine/7y5n) | Structure of 1:1 PAPP-A.ProMBP complex(half map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone marrow proteoglycan, ... | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-06-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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7Y5Q
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![BU of 7y5q by Molmil](/molmil-images/mine/7y5q) | Structure of 1:1 PAPP-A.STC2 complex(half map) | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-06-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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7T1F
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![BU of 7t1f by Molmil](/molmil-images/mine/7t1f) | Crystal structure of GDP-bound T50I mutant of human KRAS4B | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2021-12-01 | Release date: | 2022-12-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation. JCI Insight, 8, 2023
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8G4G
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![BU of 8g4g by Molmil](/molmil-images/mine/8g4g) | Crystal Engineering with One 8-mer DNA | Descriptor: | DNA (5'-D(*AP*TP*CP*GP*G)-3'), DNA (5'-D(*AP*TP*CP*GP*GP*CP*CP*G)-3'), DNA (5'-D(P*CP*CP*G)-3') | Authors: | Zhao, J, Zhang, C, Lu, B, Seeman, N.C, Noinaj, N, Sha, R, Mao, C. | Deposit date: | 2023-02-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Divergence and Convergence: Complexity Emerges in Crystal Engineering from an 8-mer DNA. J.Am.Chem.Soc., 145, 2023
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3JAU
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![BU of 3jau by Molmil](/molmil-images/mine/3jau) | The cryoEM map of EV71 mature viron in complex with the Fab fragment of antibody D5 | Descriptor: | Capsid protein VP1, Heavy chain of Fab fragment variable region of antibody D5, Light chain of Fab fragment variable region of antibody D5 | Authors: | Fan, C, Ye, X.H, Ku, Z.Q, Zuo, T, Kong, L.L, Zhang, C, Shi, J.P, Liu, Q.W, Chen, T, Zhang, Y.Y, Jiang, W, Zhang, L.Q, Huang, Z, Cong, Y. | Deposit date: | 2015-06-24 | Release date: | 2016-02-10 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structural Basis for Recognition of Human Enterovirus 71 by a Bivalent Broadly Neutralizing Monoclonal Antibody Plos Pathog., 12, 2016
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6PT0
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![BU of 6pt0 by Molmil](/molmil-images/mine/6pt0) | Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2 | Descriptor: | CHOLESTEROL, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, T.H, Xing, C, Zhuang, Y, Feng, Z, Zhou, X.E, Chen, M, Wang, L, Meng, X, Xue, Y, Wang, J, Liu, H, McGuire, T, Zhao, G, Melcher, K, Zhang, C, Xu, H.E, Xie, X.Q. | Deposit date: | 2019-07-14 | Release date: | 2020-02-12 | Last modified: | 2020-03-04 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM Structure of the Human Cannabinoid Receptor CB2-GiSignaling Complex. Cell, 180, 2020
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6NT8
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![BU of 6nt8 by Molmil](/molmil-images/mine/6nt8) | Cryo-EM structure of full-length chicken STING in the cGAMP-bound tetrameric state | Descriptor: | Stimulator of interferon genes protein, cGAMP | Authors: | Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X. | Deposit date: | 2019-01-28 | Release date: | 2019-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP. Nature, 567, 2019
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8G05
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![BU of 8g05 by Molmil](/molmil-images/mine/8g05) | Cryo-EM structure of an orphan GPCR-Gi protein signaling complex | Descriptor: | 6-(octylamino)pyrimidine-2,4(3H,5H)-dione, CHOLESTEROL, G-protein coupled receptor 84, ... | Authors: | Zhang, X, Wang, Y.J, Li, X, Liu, G.B, Gong, W.M, Zhang, C. | Deposit date: | 2023-01-31 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Pro-phagocytic function and structural basis of GPR84 signaling. Nat Commun, 14, 2023
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8ID6
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![BU of 8id6 by Molmil](/molmil-images/mine/8id6) | Cryo-EM structure of the oleic acid bound GPR120-Gi complex | Descriptor: | Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-15 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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8ID9
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![BU of 8id9 by Molmil](/molmil-images/mine/8id9) | Cryo-EM structure of the eicosapentaenoic acid bound GPR120-Gi complex | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-15 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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8ID4
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![BU of 8id4 by Molmil](/molmil-images/mine/8id4) | Cryo-EM structure of the linoleic acid bound GPR120-Gi complex | Descriptor: | Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-15 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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8ID3
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![BU of 8id3 by Molmil](/molmil-images/mine/8id3) | Cryo-EM structure of the 9-hydroxystearic acid bound GPR120-Gi complex | Descriptor: | 9-Hydroxyoctadecanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-15 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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8ID8
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![BU of 8id8 by Molmil](/molmil-images/mine/8id8) | Cryo-EM structure of the TUG891 bound GPR120-Gi complex | Descriptor: | 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-15 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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6PGI
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![BU of 6pgi by Molmil](/molmil-images/mine/6pgi) | Asymmetric functions of a binuclear metal cluster within the transport pathway of the ZIP transition metal transporters | Descriptor: | BbZIP, CADMIUM ION | Authors: | Zhang, T, Sui, D, Zhang, C, Logan, T, Hu, J. | Deposit date: | 2019-06-24 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Asymmetric functions of a binuclear metal center within the transport pathway of a human zinc transporter ZIP4. Faseb J., 34, 2020
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