6Z2F
 
 | |
6Q4M
 | | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation | | 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, PHOSPHATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Gundogdu, M, van Aalten, D.M.F. | | Deposit date: | 2018-12-06 | | Release date: | 2019-12-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation
To Be Published
|
|
5ZVP
 | | Aspergillus fumigatus Rho1 F25N | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1, ... | | Authors: | Wei, W.F, Van Aalten, D.M.F. | | Deposit date: | 2018-05-12 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Aspergillus fumigateurs Rho1 F25N
To Be Published
|
|
5FIH
 | | SACCHAROMYCES CEREVISIAE GAS2P (E176Q MUTANT) IN COMPLEX WITH LAMINARITETRAOSE AND LAMINARIPENTAOSE | | Descriptor: | 1,3-BETA-GLUCANOSYLTRANSFERASE, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | | Authors: | Raich, L, Borodkin, V, van Aalten, D.M.F, Hurtado-Guerrero, R, Rovira, C. | | Deposit date: | 2015-09-25 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Trapped Covalent Intermediate of a Glycoside Hydrolase on the Pathway to Transglycosylation. Insights from Experiments and Quantum Mechanics/Molecular Mechanics Simulations.
J. Am. Chem. Soc., 138, 2016
|
|
7OYL
 | | Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F. | | Deposit date: | 2021-06-24 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
|
|
7P5O
 | |
4TX6
 | | AfChiA1 in complex with compound 1 | | Descriptor: | 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION | | Authors: | van Aalten, D.M.F. | | Deposit date: | 2014-07-02 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
|
|
4TXE
 | | ScCTS1 in complex with compound 5 | | Descriptor: | (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol, Endochitinase | | Authors: | Schuettelkopf, A.W, van Aalten, D.M.F. | | Deposit date: | 2014-07-03 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
|
|
3GNI
 | | Structure of STRAD and MO25 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, Protein Mo25, ... | | Authors: | Zeqiraj, E, Goldie, S, Alessi, D.R, van Aalten, D.M.F. | | Deposit date: | 2009-03-17 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | ATP and MO25alpha regulate the conformational state of the STRADalpha pseudokinase and activation of the LKB1 tumour suppressor
Plos Biol., 7, 2009
|
|
6EOU
 | |
4ZXL
 | | CpOGA D298N in complex with Drosophila HCF -derived Thr-O-GlcNAc peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, NAG-PRO-SER-THR-ALA-Thr-O-GlcNAc containing peptide from drosophila HCF, ... | | Authors: | Selvan, N, van Aalten, D.M.F. | | Deposit date: | 2015-05-20 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A mutant O-GlcNAcase as a probe to reveal global dynamics of protein O-GlcNAcylation during Drosophila embryonic development.
Biochem.J., 470, 2015
|
|
7PIZ
 | |
7PJC
 | |
7PPR
 | |
5NPR
 | | The human O-GlcNAc transferase in complex with a thiol-linked bisubstrate inhibitor | | Descriptor: | POTASSIUM ION, 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, ... | | Authors: | Rafie, K, van Aalten, D.M.F. | | Deposit date: | 2017-04-18 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors.
Bioconjug. Chem., 29, 2018
|
|
1E2X
 | | FadR, fatty acid responsive transcription factor from E. coli | | Descriptor: | FATTY ACID METABOLISM REGULATOR PROTEIN, SULFATE ION | | Authors: | Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J, Wierenga, R.K. | | Deposit date: | 2000-05-30 | | Release date: | 2000-12-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Fadr, a Fatty Acid-Responsive Transcription Factor with a Novel Acyl Coenzyme A-Binding Fold
Embo J., 19, 2000
|
|
1E6N
 | | Chitinase B from Serratia marcescens inactive mutant E144Q in complex with N-acetylglucosamine-pentamer | | 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE B, GLYCEROL, ... | | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | | Deposit date: | 2000-08-21 | | Release date: | 2001-06-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
1E6R
 | | Chitinase B from Serratia marcescens wildtype in complex with inhibitor allosamidin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE B, ... | | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | | Deposit date: | 2000-08-22 | | Release date: | 2001-06-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
1OGG
 | | chitinase b from serratia marcescens mutant d142n in complex with inhibitor allosamidin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE B, ... | | Authors: | Vaaje-Kolstad, G, Houston, D.R, Rao, F.V, Peter, M.G, Synstad, B, van Aalten, D.M.F, Eijsink, V.G.H. | | Deposit date: | 2003-04-30 | | Release date: | 2004-04-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure of the D142N Mutant of the Family 18 Chitinase Chib from Serratia Marcescens and its Complex with Allosamidin
Biochim.Biophys.Acta, 1696, 2004
|
|
1OGB
 | | Chitinase b from Serratia marcescens mutant D142N | | Descriptor: | CHITINASE B, GLYCEROL, SULFATE ION | | Authors: | Vaaje-Kolstad, G, Houston, D.R, Rao, F.V, Peter, M.G, Synstad, B, van Aalten, D.M.F, Eijsink, V.G.H. | | Deposit date: | 2003-04-29 | | Release date: | 2004-04-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the D142N Mutant of the Family 18 Chitinase Chib from Serratia Marcescens and its Complex with Allosamidin
Biochim.Biophys.Acta, 1696, 2004
|
|
3CHF
 | |
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
|
|
3CHD
 | |
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
|
|
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
|
|
