1WAW
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![BU of 1waw by Molmil](/molmil-images/mine/1waw) | Specificity and affinity of natural product cyclopentapeptide inhibitor Argadin against human chitinase | Descriptor: | ARGADIN, CHITOTRIOSIDASE 1, GLYCEROL, ... | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F. | Deposit date: | 2004-10-28 | Release date: | 2005-01-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases Chem.Biol., 12, 2005
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1W9U
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![BU of 1w9u by Molmil](/molmil-images/mine/1w9u) | Specificity and affnity of natural product cyclopentapeptide inhibitor Argadin against Aspergillus fumigatus chitinase | Descriptor: | ARGADIN, CHITINASE, SULFATE ION | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F. | Deposit date: | 2004-10-19 | Release date: | 2004-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases Chem.Biol., 12, 2005
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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 | Descriptor: | CHITINASE B, CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR, GLYCEROL, ... | Authors: | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F. | Deposit date: | 2004-06-24 | Release date: | 2005-01-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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1W9P
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![BU of 1w9p by Molmil](/molmil-images/mine/1w9p) | Specificity and affinity of natural product cyclopentapeptide inhibitors against Aspergillus fumigatus, human and bacterial chitinaseFra | Descriptor: | CHITINASE, SULFATE ION | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F. | Deposit date: | 2004-10-15 | Release date: | 2004-10-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases Chem.Biol., 12, 2005
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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 | Descriptor: | CHITINASE B, CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR, GLYCEROL, ... | Authors: | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F. | Deposit date: | 2004-06-24 | Release date: | 2005-01-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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1W9V
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![BU of 1w9v by Molmil](/molmil-images/mine/1w9v) | Specificity and affinity of natural product cyclopentapeptide argifin against Aspergillus fumigatus | Descriptor: | ARGIFIN, CHITINASE, SULFATE ION | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F. | Deposit date: | 2004-10-19 | Release date: | 2005-01-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases Chem.Biol., 12, 2005
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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 | Descriptor: | CHITINASE B, CYCLO-(GLYCINE-L-PROLINE) INHIBITOR, GLYCEROL, ... | Authors: | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F. | Deposit date: | 2004-06-23 | Release date: | 2005-01-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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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 | Descriptor: | (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, ... | Authors: | Gundogdu, M, van Aalten, D.M.F. | Deposit date: | 2018-11-30 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability. Proc.Natl.Acad.Sci.USA, 116, 2019
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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 | Descriptor: | CHITINASE B, CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR, GLYCEROL, ... | Authors: | Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, van Aalten, D.M.F. | Deposit date: | 2004-06-24 | Release date: | 2005-01-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors J.Med.Chem., 47, 2004
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1WB0
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![BU of 1wb0 by Molmil](/molmil-images/mine/1wb0) | specificity and affinity of natural product cyclopentapeptide inhibitor Argifin against human chitinase | Descriptor: | ARGIFIN, CHITOTRIOSIDASE 1, GLYCEROL, ... | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F. | Deposit date: | 2004-10-29 | Release date: | 2005-01-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases Chem.Biol., 12, 2005
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6JIK
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![BU of 6jik by Molmil](/molmil-images/mine/6jik) | Aspergillus fumigatus Rho1 GsGTP | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1 | Authors: | Bartual, S.G, Van Aalten, D.M.F. | Deposit date: | 2019-02-22 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Aspergillus fumigatus Rho1 gSGTP complex To Be Published
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6IBU
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![BU of 6ibu by Molmil](/molmil-images/mine/6ibu) | Apo Crh5 transglycosylase | Descriptor: | GLYCEROL, Probable glycosidase crf1 | Authors: | Bartual, S.G, Fang, W, van Aalten, D.M.F. | Deposit date: | 2018-11-30 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases. Nat Commun, 10, 2019
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6IBW
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![BU of 6ibw by Molmil](/molmil-images/mine/6ibw) | Crh5 transglycosylase in complex with NAG | Descriptor: | 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, Probable glycosidase crf1 | Authors: | Fang, W, Bartual, S.G, van Aalten, D.M.F. | Deposit date: | 2018-12-01 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases. Nat Commun, 10, 2019
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6I5X
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![BU of 6i5x by Molmil](/molmil-images/mine/6i5x) | Crystal structure of Aspergillus fumigatus phosphomannomutase | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Zhang, Y, Raimi, O.G, Ferenbach, A.T, van Aalten, D.M.F. | Deposit date: | 2018-11-15 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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 | Descriptor: | PHOSPHATE ION, PROTEIN TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 13 | Authors: | Villa, F, Deak, M, Bloomberg, G.B, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-11-16 | Release date: | 2004-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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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1GOI
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![BU of 1goi by Molmil](/molmil-images/mine/1goi) | Crystal structure of the D140N mutant of chitinase B from Serratia marcescens at 1.45 A resolution | Descriptor: | CHITINASE B, GLYCEROL, SULFATE ION | Authors: | Kolstad, G, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2001-10-21 | Release date: | 2001-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of the D140N Mutant of Chitinase B from Serratia Marcescens at 1.45 A Resolution. Acta Crystallogr.,Sect.D, 58, 2002
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3ZJ0
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![BU of 3zj0 by Molmil](/molmil-images/mine/3zj0) | The human O-GlcNAcase C-terminal domain is a pseudo histone acetyltransferase | Descriptor: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, ACETYLTRANSFERASE, ... | Authors: | Rao, F.V, Schuettelkopf, A.W, Dorfmueller, H.C, Ferenbach, A.T, Navratilova, I, van Aalten, D.M.F. | Deposit date: | 2013-01-15 | Release date: | 2013-10-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of a Bacterial Putative Acetyltransferase Defines the Fold of the Human O-Glcnacase C-Terminal Domain. Open Biol., 3, 2013
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3ZF8
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![BU of 3zf8 by Molmil](/molmil-images/mine/3zf8) | |
1ODV
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![BU of 1odv by Molmil](/molmil-images/mine/1odv) | Photoactive yellow protein 1-25 deletion mutant | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Vreede, J, Van Der horst, M.A, Hellingwerf, K.J, Crielaard, W, Van Aalten, D.M.F. | Deposit date: | 2003-03-14 | Release date: | 2003-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Pas Domains.Common Structure and Common Flexibility J.Biol.Chem., 278, 2003
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4AG7
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![BU of 4ag7 by Molmil](/molmil-images/mine/4ag7) | C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): coenzyme A adduct | Descriptor: | COENZYME A, GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE | Authors: | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | Deposit date: | 2012-01-24 | Release date: | 2012-07-25 | Last modified: | 2012-08-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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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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 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, ... | Authors: | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | Deposit date: | 2012-01-24 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Schimpl, M, Rush, C.L, Betou, M, Eggleston, I.M, Penman, G.A, Recklies, A.D, van Aalten, D.M.F. | Deposit date: | 2012-06-17 | Release date: | 2012-08-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ... | Authors: | 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. | Deposit date: | 2012-06-18 | Release date: | 2012-10-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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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 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ... | Authors: | 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. | Deposit date: | 2003-10-27 | Release date: | 2004-04-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ... | Authors: | 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. | Deposit date: | 2003-10-27 | Release date: | 2004-04-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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