6IBO
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![BU of 6ibo by Molmil](/molmil-images/mine/6ibo) | Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, ALA-VAL-SER-ARG-ALA, PHOSPHATE ION, ... | 著者 | Gundogdu, M, van Aalten, D.M.F. | 登録日 | 2018-11-30 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability. Proc.Natl.Acad.Sci.USA, 116, 2019
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1O7V
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![BU of 1o7v by Molmil](/molmil-images/mine/1o7v) | High resolution structure of Siglec-7 | 分子名称: | SIALIC ACID BINDING IG-LIKE LECTIN 7, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F. | 登録日 | 2002-11-14 | 公開日 | 2003-03-30 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High resolution crystal structures of Siglec-7. Insights into ligand specificity in the Siglec family. J.Biol.Chem., 278, 2003
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6IBU
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![BU of 6ibu by Molmil](/molmil-images/mine/6ibu) | |
5OAT
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![BU of 5oat by Molmil](/molmil-images/mine/5oat) | PINK1 structure | 分子名称: | MAGNESIUM ION, Serine/threonine-protein kinase PINK1, mitochondrial-like Protein | 著者 | Kumar, A, Tamjar, J, Woodroof, H.I, Raimi, O.G, Waddell, A.Y, Peggie, M, Muqit, M.M.K, van Aalten, D.M.F. | 登録日 | 2017-06-23 | 公開日 | 2017-10-11 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Structure of PINK1 and mechanisms of Parkinson's disease associated mutations. Elife, 6, 2017
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5O6C
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![BU of 5o6c by Molmil](/molmil-images/mine/5o6c) | Crystal Structure of a threonine-selective RCR E3 ligase | 分子名称: | E3 ubiquitin-protein ligase MYCBP2, ZINC ION | 著者 | Pao, K.-C, Rafie, K.Z, van Aalten, D, Virdee, S. | 登録日 | 2017-06-06 | 公開日 | 2018-04-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Activity-based E3 ligase profiling uncovers an E3 ligase with esterification activity. Nature, 556, 2018
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6I5X
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![BU of 6i5x by Molmil](/molmil-images/mine/6i5x) | Crystal structure of Aspergillus fumigatus phosphomannomutase | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | 著者 | Zhang, Y, Raimi, O.G, Ferenbach, A.T, van Aalten, D.M.F. | 登録日 | 2018-11-15 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of Aspergillus fumigatus phosphomannomutase To Be Published
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1WCH
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![BU of 1wch by Molmil](/molmil-images/mine/1wch) | Crystal structure of PTPL1 human tyrosine phosphatase mutated in colorectal cancer - evidence for a second phosphotyrosine substrate recognition pocket | 分子名称: | PHOSPHATE ION, PROTEIN TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 13 | 著者 | Villa, F, Deak, M, Bloomberg, G.B, Alessi, D.R, Van Aalten, D.M.F. | 登録日 | 2004-11-16 | 公開日 | 2004-12-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal Structure of Ptpl1/Fap-1 Human Tyrosine Phosphatase Mutated in Colorectal Cancer: Eveidence for a Second Phosphotyrosine Substrate Recognition Pocket J.Biol.Chem., 280, 2005
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5NPS
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![BU of 5nps by Molmil](/molmil-images/mine/5nps) | The human O-GlcNAc transferase in complex with a bisubstrate inhibitor | 分子名称: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate | 著者 | Rafie, K, van Aalten, D. | 登録日 | 2017-04-18 | 公開日 | 2018-05-16 | 最終更新日 | 2023-03-15 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors. Bioconjug. Chem., 29, 2018
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5OA6
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![BU of 5oa6 by Molmil](/molmil-images/mine/5oa6) | Crystal structure of ScGas2 in complex with compound 12 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-21 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5O9O
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![BU of 5o9o by Molmil](/molmil-images/mine/5o9o) | Crystal structure of ScGas2 in complex with compound 7. | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2 | 著者 | Delso, I, Valero-Gonzalez, J, Fang, W, Gomollon-Bel, F, Castro-Lopez, J, Navratilova, I, van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5O9Y
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![BU of 5o9y by Molmil](/molmil-images/mine/5o9y) | Crystal structure of ScGas2 in complex with compound 11 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-20 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5LWV
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![BU of 5lwv by Molmil](/molmil-images/mine/5lwv) | Human OGT in complex with UDP and fused substrate peptide (HCF1) | 分子名称: | GLYCEROL, Host cell factor 1,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, PHOSPHATE ION, ... | 著者 | Raimi, O, Rafie, K, Kapuria, V, Herr, W, van Aalten, D. | 登録日 | 2016-09-19 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats. Open Biol, 7, 2017
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5O9P
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![BU of 5o9p by Molmil](/molmil-images/mine/5o9p) | Crystal structure of Gas2 in complex with compound 10 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2 | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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1UR8
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![BU of 1ur8 by Molmil](/molmil-images/mine/1ur8) | Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ... | 著者 | Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | 登録日 | 2003-10-27 | 公開日 | 2004-04-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone. J.Biol.Chem., 279, 2004
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1UR9
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![BU of 1ur9 by Molmil](/molmil-images/mine/1ur9) | Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ... | 著者 | Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | 登録日 | 2003-10-27 | 公開日 | 2004-04-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone. J.Biol.Chem., 279, 2004
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2J62
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![BU of 2j62 by Molmil](/molmil-images/mine/2j62) | Structure of a bacterial O-glcnacase in complex with glcnacstatin | 分子名称: | CHLORIDE ION, N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE, O-GlcNAcase NagJ | 著者 | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F. | 登録日 | 2006-09-22 | 公開日 | 2007-02-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels. J. Am. Chem. Soc., 128, 2006
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4AG9
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![BU of 4ag9 by Molmil](/molmil-images/mine/4ag9) | C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): ternary complex with coenzyme A and GlcNAc | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, ... | 著者 | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | 登録日 | 2012-01-24 | 公開日 | 2012-07-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1. Acta Crystallogr.,Sect.D, 68, 2012
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4AY1
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![BU of 4ay1 by Molmil](/molmil-images/mine/4ay1) | Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide binding properties | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3-LIKE PROTEIN 2 | 著者 | Schimpl, M, Rush, C.L, Betou, M, Eggleston, I.M, Penman, G.A, Recklies, A.D, van Aalten, D.M.F. | 登録日 | 2012-06-17 | 公開日 | 2012-08-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Human Ykl-39 is a Pseudo-Chitinase with Retained Chitooligosaccharide-Binding Properties. Biochem.J., 446, 2012
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4AY5
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![BU of 4ay5 by Molmil](/molmil-images/mine/4ay5) | Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ... | 著者 | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | 登録日 | 2012-06-18 | 公開日 | 2012-10-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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1HJV
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![BU of 1hjv by Molmil](/molmil-images/mine/1hjv) | Crystal structure of hcgp-39 in complex with chitin tetramer | 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F. | 登録日 | 2003-02-28 | 公開日 | 2003-03-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes. J.Biol.Chem., 278, 2003
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1UNQ
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![BU of 1unq by Molmil](/molmil-images/mine/1unq) | High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase B/Akt Bound To Ins(1,3,4,5)-Tetrakisphophate | 分子名称: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE | 著者 | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | 登録日 | 2003-09-12 | 公開日 | 2004-09-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | 主引用文献 | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change. Biochem. J., 375, 2003
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1HJX
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![BU of 1hjx by Molmil](/molmil-images/mine/1hjx) | Ligand-induced signalling and conformational change of the 39 kD glycoprotein from human articular chondrocytes | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3 LIKE PROTEIN 1, GLYCEROL, ... | 著者 | Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F. | 登録日 | 2003-02-28 | 公開日 | 2003-03-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes J.Biol.Chem., 278, 2003
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1HKI
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![BU of 1hki by Molmil](/molmil-images/mine/1hki) | Crystal structure of human chitinase in complex with glucoallosamidin B | 分子名称: | 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITOTRIOSIDASE, METHYL N-ACETYL ALLOSAMINE | 著者 | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Sakuda, S, Van Aalten, D.M.F. | 登録日 | 2003-03-10 | 公開日 | 2004-03-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal Structures of Allosamidin Derivatives in Complex with Human Macrophage Chitinase J.Biol.Chem., 278, 2003
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1HKJ
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![BU of 1hkj by Molmil](/molmil-images/mine/1hkj) | Crystal structure of human chitinase in complex with methylallosamidin | 分子名称: | 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITOTRIOSIDASE | 著者 | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Sakuda, S, Van Aalten, D.M.F. | 登録日 | 2003-03-10 | 公開日 | 2004-03-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structures of Allosamidin Derivatives in Complex with Human Macrophage Chitinase J.Biol.Chem., 278, 2003
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1HKM
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![BU of 1hkm by Molmil](/molmil-images/mine/1hkm) | High resolution crystal structure of human chitinase in complex with demethylallosamidin | 分子名称: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, CHITOTRIOSIDASE, METHYL N-ACETYL ALLOSAMINE | 著者 | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Sakuda, S, Van Aalten, D.M.F. | 登録日 | 2003-03-10 | 公開日 | 2004-03-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal Structures of Allosamidin Derivatives in Complex with Human Macrophage Chitinase J.Biol.Chem., 278, 2003
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