3TI3
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![BU of 3ti3 by Molmil](/molmil-images/mine/3ti3) | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
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2QDY
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![BU of 2qdy by Molmil](/molmil-images/mine/2qdy) | Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270 | Descriptor: | 2-METHYLPROPAN-1-AMINE, CHLORIDE ION, FE (III) ION, ... | Authors: | Song, L, Shi, J, Xue, Z, Wang, M.-X, Qian, S. | Deposit date: | 2007-06-22 | Release date: | 2008-05-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High resolution X-ray molecular structure of the nitrile hydratase from Rhodococcus erythropolis AJ270 reveals posttranslational oxidation of two cysteines into sulfinic acids and a novel biocatalytic nitrile hydration mechanism Biochem.Biophys.Res.Commun., 362, 2007
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3VTQ
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![BU of 3vtq by Molmil](/molmil-images/mine/3vtq) | Novel HIV fusion inhibitor | Descriptor: | Envelope glycoprotein gp160, fusion inhibitor MT-Sifuvirtide | Authors: | Yao, X, Waltersperger, S, Wang, M, Cui, S. | Deposit date: | 2012-06-02 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Crystal structure of a novel HIV fusion inhibitor To be Published
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4EK7
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![BU of 4ek7 by Molmil](/molmil-images/mine/4ek7) | High speed X-ray analysis of plant enzymes at room temperature | Descriptor: | CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase, beta-D-glucopyranose | Authors: | Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J. | Deposit date: | 2012-04-09 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High speed X-ray analysis of plant enzymes at room temperature. Phytochemistry, 2012
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8GUD
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![BU of 8gud by Molmil](/molmil-images/mine/8gud) | Cryo-EM structure of cancer-specific PI3Kalpha mutant E545K in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-11-23 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8GUB
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![BU of 8gub by Molmil](/molmil-images/mine/8gub) | Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-11-23 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8GUA
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![BU of 8gua by Molmil](/molmil-images/mine/8gua) | Cryo-EM structure of cancer-specific PI3Kalpha mutant E542K in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-12-07 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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5FM0
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![BU of 5fm0 by Molmil](/molmil-images/mine/5fm0) | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis (PtCl4 derivative) | Descriptor: | 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PIMELOYL-AMP, ... | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | Deposit date: | 2015-10-29 | Release date: | 2016-11-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters. Nat. Chem. Biol., 13, 2017
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4J12
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![BU of 4j12 by Molmil](/molmil-images/mine/4j12) | monomeric Fc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, human Fc fragment | Authors: | Ishino, T, Wang, M, Mosyak, L, Tam, A, Duan, W, Svenson, K, Joyce, A, O'Hara, D, Lin, L, Somers, W, Kriz, R. | Deposit date: | 2013-01-31 | Release date: | 2013-05-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engineering a Monomeric Fc Domain Modality by N-Glycosylation for the Half-life Extension of Biotherapeutics. J.Biol.Chem., 288, 2013
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8H8C
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![BU of 8h8c by Molmil](/molmil-images/mine/8h8c) | Type VI secretion system effector RhsP in its post-autoproteolysis and dimeric form | Descriptor: | C-terminal peptide from Putative Rhs-family protein, Putative Rhs-family protein | Authors: | Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H. | Deposit date: | 2022-10-22 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP. Cell Rep, 41, 2022
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8H8B
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![BU of 8h8b by Molmil](/molmil-images/mine/8h8b) | Type VI secretion system effector RhsP in its pre-autoproteolysis and monomeric form | Descriptor: | Putative Rhs-family protein | Authors: | Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H. | Deposit date: | 2022-10-22 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP. Cell Rep, 41, 2022
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8H8A
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![BU of 8h8a by Molmil](/molmil-images/mine/8h8a) | Type VI secretion system effector RhsP in its post-autoproteolysis and monomeric form | Descriptor: | C-terminal peptide from Putative Rhs-family protein, Putative Rhs-family protein | Authors: | Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H. | Deposit date: | 2022-10-22 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP. Cell Rep, 41, 2022
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5Y6K
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![BU of 5y6k by Molmil](/molmil-images/mine/5y6k) | Human serum trnasferrin bound to a fluorescent probe | Descriptor: | (2S)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid, FE (III) ION, MALONATE ION, ... | Authors: | Jiang, N, Cheng, T, Wang, M, Chan, G.C.F, Jin, L, Li, H, Sun, H. | Deposit date: | 2017-08-12 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Tracking iron-associated proteomes in pathogens by a fluorescence approach. Metallomics, 10, 2018
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6J7O
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![BU of 6j7o by Molmil](/molmil-images/mine/6j7o) | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q from Mycobacterium tuberculosis | Descriptor: | MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6J7T
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![BU of 6j7t by Molmil](/molmil-images/mine/6j7t) | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2020-05-20 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6JB1
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![BU of 6jb1 by Molmil](/molmil-images/mine/6jb1) | Structure of pancreatic ATP-sensitive potassium channel bound with repaglinide and ATPgammaS at 3.3A resolution | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ... | Authors: | Chen, L, Ding, D, Wang, M, Wu, J.-X, Kang, Y. | Deposit date: | 2019-01-25 | Release date: | 2019-05-22 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The Structural Basis for the Binding of Repaglinide to the Pancreatic KATPChannel. Cell Rep, 27, 2019
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6LPF
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![BU of 6lpf by Molmil](/molmil-images/mine/6lpf) | The crystal structure of human cytoplasmic LRS | Descriptor: | 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, 5'-O-(L-leucylsulfamoyl)adenosine, GLYCEROL, ... | Authors: | Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D. | Deposit date: | 2020-01-10 | Release date: | 2020-03-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond. Nucleic Acids Res., 48, 2020
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6LW5
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![BU of 6lw5 by Molmil](/molmil-images/mine/6lw5) | Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm | Descriptor: | CHOLESTEROL, Soluble cytochrome b562,N-formyl peptide receptor 2, TRP-LYS-TYR-MET-VAL-QXV | Authors: | Chen, T, Zong, X, Zhang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2020-02-07 | Release date: | 2020-03-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of ligand binding modes at the human formyl peptide receptor 2. Nat Commun, 11, 2020
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4CJC
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![BU of 4cjc by Molmil](/molmil-images/mine/4cjc) | orthorhombic crystal form of Bogt6a E192Q in complex with UDP-GalNAc, UDP, GalNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, GLYCOSYLTRANSFERASE FAMILY 6, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Pham, T, Stinson, B, Thiyagarajan, N, Lizotte-Waniewski, M, Brew, K, Acharya, K.R. | Deposit date: | 2013-12-19 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | Structures of Complexes of a Metal-Independent Glycosyltransferase Gt6 from Bacteroides Ovatus with Udp-Galnac and its Hydrolysis Products. J.Biol.Chem., 289, 2014
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7F8Y
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![BU of 7f8y by Molmil](/molmil-images/mine/7f8y) | Crystal structure of the cholecystokinin receptor CCKAR in complex with devazepide | Descriptor: | N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide, fusion protein of Cholecystokinin receptor type A and Endolysin | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | Deposit date: | 2021-07-02 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists. Nat.Chem.Biol., 17, 2021
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7F8U
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![BU of 7f8u by Molmil](/molmil-images/mine/7f8u) | Crystal structure of the cholecystokinin receptor CCKAR in complex with lintitript | Descriptor: | 2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid, Fusion protein of Cholecystokinin receptor type A and Endolysin | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | Deposit date: | 2021-07-02 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists. Nat.Chem.Biol., 17, 2021
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6J7Q
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![BU of 6j7q by Molmil](/molmil-images/mine/6j7q) | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A from Mycobacterium tuberculosis | Descriptor: | CALCIUM ION, MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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7E9W
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![BU of 7e9w by Molmil](/molmil-images/mine/7e9w) | The Crystal Structure of D-psicose-3-epimerase from Biortus. | Descriptor: | D-psicose 3-epimerase, GLYCEROL, MANGANESE (II) ION | Authors: | Wang, F, Xu, C, Qi, J, Zhang, M, Tian, F, Wang, M. | Deposit date: | 2021-03-05 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of D-psicose-3-epimerase from Biortus. To Be Published
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6LR6
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![BU of 6lr6 by Molmil](/molmil-images/mine/6lr6) | The crystal structure of human cytoplasmic LRS | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ... | Authors: | Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D. | Deposit date: | 2020-01-15 | Release date: | 2020-03-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.009 Å) | Cite: | Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond. Nucleic Acids Res., 48, 2020
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7D68
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![BU of 7d68 by Molmil](/molmil-images/mine/7d68) | Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex | Descriptor: | Glucagon-like peptide 2 receptor, 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: | Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2020-09-29 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor. Cell Res., 30, 2020
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