1W1Y
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![BU of 1w1y by Molmil](/molmil-images/mine/1w1y) | Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(L-Tyr-L-Pro) at 1.85 A resolution | 分子名称: | CHITINASE B, CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR, GLYCEROL, ... | 著者 | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F. | 登録日 | 2004-06-24 | 公開日 | 2005-01-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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1W1T
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![BU of 1w1t by Molmil](/molmil-images/mine/1w1t) | Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(His-L-Pro) at 1.9 A resolution | 分子名称: | CHITINASE B, CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR, GLYCEROL, ... | 著者 | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, van Aalten, D.M.F. | 登録日 | 2004-06-24 | 公開日 | 2005-01-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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1W1P
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![BU of 1w1p by Molmil](/molmil-images/mine/1w1p) | Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(Gly-L-Pro) at 2.1 A resolution | 分子名称: | CHITINASE B, CYCLO-(GLYCINE-L-PROLINE) INHIBITOR, GLYCEROL, ... | 著者 | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F. | 登録日 | 2004-06-23 | 公開日 | 2005-01-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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1W1V
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![BU of 1w1v by Molmil](/molmil-images/mine/1w1v) | Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(L-Arg-L-Pro) at 1.85 A resolution | 分子名称: | CHITINASE B, CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR, GLYCEROL, ... | 著者 | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F. | 登録日 | 2004-06-24 | 公開日 | 2005-01-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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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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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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3CHC
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![BU of 3chc by Molmil](/molmil-images/mine/3chc) | |
3CHF
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![BU of 3chf by Molmil](/molmil-images/mine/3chf) | |
3CH9
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![BU of 3ch9 by Molmil](/molmil-images/mine/3ch9) | |
3CHD
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![BU of 3chd by Molmil](/molmil-images/mine/3chd) | |
1GPF
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![BU of 1gpf by Molmil](/molmil-images/mine/1gpf) | |
1W1B
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![BU of 1w1b by Molmil](/molmil-images/mine/1w1b) | |
2C1I
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![BU of 2c1i by Molmil](/molmil-images/mine/2c1i) | Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) D 275 N Mutant. | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PEPTIDOGLYCAN GLCNAC DEACETYLASE, SULFATE ION, ... | 著者 | Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F. | 登録日 | 2005-09-15 | 公開日 | 2005-09-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor. Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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2CBJ
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![BU of 2cbj by Molmil](/molmil-images/mine/2cbj) | Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase in complex with PUGNAc | 分子名称: | CHLORIDE ION, HYALURONIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE | 著者 | Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F. | 登録日 | 2006-01-05 | 公開日 | 2006-02-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis. EMBO J., 25, 2006
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2BIY
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![BU of 2biy by Molmil](/molmil-images/mine/2biy) | Structure of PDK1-S241A mutant kinase domain | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | 著者 | Komander, D, Kular, G.S, Deak, M, Alessi, D.R, van Aalten, D.M.F. | 登録日 | 2005-01-26 | 公開日 | 2005-02-23 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Role of T-loop phosphorylation in PDK1 activation, stability, and substrate binding. J. Biol. Chem., 280, 2005
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2CBI
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![BU of 2cbi by Molmil](/molmil-images/mine/2cbi) | Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase | 分子名称: | CHLORIDE ION, GAMMA-BUTYROLACTONE, GLYCEROL, ... | 著者 | Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F. | 登録日 | 2006-01-04 | 公開日 | 2006-02-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis. EMBO J., 25, 2006
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2C1G
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![BU of 2c1g by Molmil](/molmil-images/mine/2c1g) | Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, PEPTIDOGLYCAN GLCNAC DEACETYLASE, ... | 著者 | Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F. | 登録日 | 2005-09-14 | 公開日 | 2005-09-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor. Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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2A3A
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![BU of 2a3a by Molmil](/molmil-images/mine/2a3a) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline | 分子名称: | SULFATE ION, THEOPHYLLINE, chitinase | 著者 | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | 登録日 | 2005-06-24 | 公開日 | 2005-09-27 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2A3C
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![BU of 2a3c by Molmil](/molmil-images/mine/2a3c) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline | 分子名称: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase | 著者 | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | 登録日 | 2005-06-24 | 公開日 | 2005-09-27 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2A3B
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![BU of 2a3b by Molmil](/molmil-images/mine/2a3b) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine | 分子名称: | CAFFEINE, SULFATE ION, chitinase | 著者 | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | 登録日 | 2005-06-24 | 公開日 | 2005-09-27 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2A3E
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![BU of 2a3e by Molmil](/molmil-images/mine/2a3e) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin | 分子名称: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, SULFATE ION, ... | 著者 | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | 登録日 | 2005-06-24 | 公開日 | 2005-09-27 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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6Z2F
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4CDR
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![BU of 4cdr by Molmil](/molmil-images/mine/4cdr) | Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1 | 分子名称: | GOBLIN1, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 KDA SUBUNIT, ... | 著者 | Schimpl, M, Gundogdu, M, van Aalten, D.M.F. | 登録日 | 2013-11-05 | 公開日 | 2013-12-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Bisubstrate Udp-Peptide Conjugates as Human O-Glcnac Transferase Inhibitors. Biochem.J., 457, 2014
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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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2W3Z
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![BU of 2w3z by Molmil](/molmil-images/mine/2w3z) | Structure of a Streptococcus mutans CE4 esterase | 分子名称: | PHOSPHATE ION, PUTATIVE DEACETYLASE, ZINC ION | 著者 | Deng, D.M, Urch, J.E, ten Cate, J.M, Rao, V.A, van Aalten, D.M.F, Crielaard, W. | 登録日 | 2008-11-17 | 公開日 | 2008-12-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Streptococcus Mutans Smu.623C Codes for a Functional, Metal Dependent Polysaccharide Deacetylase that Modulates Interactions with Salivary Agglutinin. J.Bacteriol., 191, 2009
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