6GQL
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![BU of 6gql by Molmil](/molmil-images/mine/6gql) | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQP
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![BU of 6gqp by Molmil](/molmil-images/mine/6gqp) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | Authors: | Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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1VM5
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6GQQ
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![BU of 6gqq by Molmil](/molmil-images/mine/6gqq) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQK
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![BU of 6gqk by Molmil](/molmil-images/mine/6gqk) | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23) | Descriptor: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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1IAT
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![BU of 1iat by Molmil](/molmil-images/mine/1iat) | CRYSTAL STRUCTURE OF HUMAN PHOSPHOGLUCOSE ISOMERASE/NEUROLEUKIN/AUTOCRINE MOTILITY FACTOR/MATURATION FACTOR | Descriptor: | BETA-MERCAPTOETHANOL, PHOSPHOGLUCOSE ISOMERASE, SULFATE ION | Authors: | Read, J.A, Pearce, J, Li, X, Muirhead, H, Chirgwin, J, Davies, C. | Deposit date: | 2001-03-23 | Release date: | 2001-05-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The crystal structure of human phosphoglucose isomerase at 1.6 A resolution: implications for catalytic mechanism, cytokine activity and haemolytic anaemia. J.Mol.Biol., 309, 2001
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4MY5
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![BU of 4my5 by Molmil](/molmil-images/mine/4my5) | Crystal structure of the aromatic amino acid aminotransferase from Streptococcus mutants | Descriptor: | Putative amino acid aminotransferase | Authors: | Cong, X, Li, X, Ge, J, Feng, Y, Feng, X, Li, S. | Deposit date: | 2013-09-27 | Release date: | 2014-10-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Crystal structure of the aromatic-amino-acid aminotransferase from Streptococcus mutans. Acta Crystallogr.,Sect.F, 75, 2019
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3S5J
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![BU of 3s5j by Molmil](/molmil-images/mine/3s5j) | |
5XSG
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![BU of 5xsg by Molmil](/molmil-images/mine/5xsg) | Ultrahigh resolution structure of FUS (37-42) SYSGYS determined by MicroED | Descriptor: | RNA-binding protein FUS | Authors: | Luo, F, Gui, X, Zhou, H, Li, D, Li, X, Liu, C. | Deposit date: | 2017-06-14 | Release date: | 2018-04-04 | Last modified: | 2024-03-27 | Method: | ELECTRON CRYSTALLOGRAPHY (0.73 Å) | Cite: | Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation. Nat. Struct. Mol. Biol., 25, 2018
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6PSL
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![BU of 6psl by Molmil](/molmil-images/mine/6psl) | Structure of a N-Me-D-Gln4,D-aza-Thr8,Arg10-teixobactin analogue | Descriptor: | CHLORIDE ION, teixobactin analogue | Authors: | Nowick, J.S, Yang, H, Pishenko, A, Li, X. | Deposit date: | 2019-07-12 | Release date: | 2019-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Study of Lactam and Ring-Expanded Analogues of Teixobactin. J.Org.Chem., 85, 2020
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3T8A
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![BU of 3t8a by Molmil](/molmil-images/mine/3t8a) | Crystal structure of Mycobacterium tuberculosis MenB in complex with substrate analogue, OSB-NCoA | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, o-succinylbenzoyl-N-coenzyme A | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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3T88
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![BU of 3t88 by Molmil](/molmil-images/mine/3t88) | Crystal structure of Escherichia coli MenB in complex with substrate analogue, OSB-NCoA | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, CHLORIDE ION, GLYCEROL, ... | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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3P5T
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![BU of 3p5t by Molmil](/molmil-images/mine/3p5t) | CFIm25-CFIm68 complex | Descriptor: | Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 6 | Authors: | Li, H, Tong, S, Li, X, Shi, H, Gao, Y, Ge, H, Niu, L, Teng, M. | Deposit date: | 2010-10-11 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of pre-mRNA recognition by the human cleavage factor Im complex To be Published
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3T89
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![BU of 3t89 by Molmil](/molmil-images/mine/3t89) | Crystal structure of Escherichia coli MenB, the 1,4-dihydroxy-2-naphthoyl-CoA synthase in vitamin K2 biosynthesis | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, GLYCEROL, MALONATE ION | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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6XBM
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![BU of 6xbm by Molmil](/molmil-images/mine/6xbm) | Structure of human SMO-Gi complex with 24(S),25-EC | Descriptor: | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, 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: | Qi, X, Long, T, Li, X. | Deposit date: | 2020-06-06 | Release date: | 2020-09-30 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling. Nat.Chem.Biol., 16, 2020
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6XBL
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![BU of 6xbl by Molmil](/molmil-images/mine/6xbl) | Structure of human SMO-Gi complex with SAG | Descriptor: | 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Qi, X, Li, X. | Deposit date: | 2020-06-06 | Release date: | 2020-09-30 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling. Nat.Chem.Biol., 16, 2020
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3T8B
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![BU of 3t8b by Molmil](/molmil-images/mine/3t8b) | Crystal structure of Mycobacterium tuberculosis MenB with altered hexameric assembly | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, GLYCEROL | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | Deposit date: | 2011-08-01 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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6XBK
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![BU of 6xbk by Molmil](/molmil-images/mine/6xbk) | Structure of human SMO-G111C/I496C complex with Gi | Descriptor: | CHOLESTEROL, 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: | Qi, X, Long, T, Li, X. | Deposit date: | 2020-06-06 | Release date: | 2020-09-30 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling. Nat.Chem.Biol., 16, 2020
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6XBJ
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![BU of 6xbj by Molmil](/molmil-images/mine/6xbj) | Structure of human SMO-D384R complex with Gi | Descriptor: | CHOLESTEROL, 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: | Qi, X, Long, T, Li, X. | Deposit date: | 2020-06-06 | Release date: | 2020-09-30 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling. Nat.Chem.Biol., 16, 2020
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3P6Y
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![BU of 3p6y by Molmil](/molmil-images/mine/3p6y) | CF Im25-CF Im68-UGUAA complex | Descriptor: | 5'-R(*UP*GP*UP*AP*A)-3', Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 6 | Authors: | Li, H, Tong, S, Li, X, Shi, H, Gao, Y, Ge, H, Niu, L, Teng, M. | Deposit date: | 2010-10-11 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of pre-mRNA recognition by the human cleavage factor Im complex To be Published
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4Q2V
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![BU of 4q2v by Molmil](/molmil-images/mine/4q2v) | Crystal Structure of Ricin A chain complexed with Baicalin inhibitor | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin | Authors: | Deng, X, Li, X, Dong, J, Chen, Y. | Deposit date: | 2014-04-10 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization. J.Biol.Chem., 290, 2015
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1QXK
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![BU of 1qxk by Molmil](/molmil-images/mine/1qxk) | Monoacid-Based, Cell Permeable, Selective Inhibitors of Protein Tyrosine Phosphatase 1B | Descriptor: | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Xin, Z, Liu, G, Abad-Zapatero, C, Pei, Z, Szczepankiewick, B.G, Li, X, Zhang, T, Hutchins, C.W, Hajduk, P.J, Ballaron, S.J, Stashko, M.A, Lubben, T.H, Trevillyan, J.M, Jirousek, M.R. | Deposit date: | 2003-09-08 | Release date: | 2003-10-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a Monoacid-Based, Cell Permeable, Selective
Inhibitor of Protein Tyrosine Phosphatase 1B BIOORG.MED.CHEM.LETT., 13, 2003
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4QWQ
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![BU of 4qwq by Molmil](/molmil-images/mine/4qwq) | Crystal structure of the DNA-binding domain of the response regulator SaeR from Staphylococcus aureus | Descriptor: | Response regulator SaeR | Authors: | Fan, X, Zhu, Y, Zhang, X, Teng, M, Li, X. | Deposit date: | 2014-07-17 | Release date: | 2015-08-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure of the DNA-binding domain of the response regulator SaeR from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
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5C6H
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![BU of 5c6h by Molmil](/molmil-images/mine/5c6h) | Mcl-1 complexed with Mule | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mule BH3 peptide from E3 ubiquitin-protein ligase HUWE1 | Authors: | Song, T, Wang, Z, Ji, F, Chai, G, Liu, Y, Li, X, Li, Z, Fan, Y, Zhang, Z. | Deposit date: | 2015-06-23 | Release date: | 2016-08-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of Mcl-1 complexed with Mule at 2.05 Angstroms resolution To Be Published
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6UM1
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![BU of 6um1 by Molmil](/molmil-images/mine/6um1) | Structure of M-6-P/IGFII Receptor at pH 4.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor, ... | Authors: | Wang, R, Qi, X, Li, X. | Deposit date: | 2019-10-08 | Release date: | 2020-02-26 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Marked structural rearrangement of mannose 6-phosphate/IGF2 receptor at different pH environments Sci Adv, 6, 2020
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