2VEZ
 
 | | AfGNA1 crystal structure complexed with Acetyl-CoA and Glucose-6P gives new insights into catalysis | | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, PHOSPHATE ION, ... | | 著者 | Hurtado-Guerrero, R, Raimi, O, Shepherd, S, van Aalten, D.M.F. | | 登録日 | 2007-10-27 | | 公開日 | 2009-03-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Glucose-6-Phosphate as a Probe for the Glucosamine- 6-Phosphate N-Acetyltransferase Michaelis Complex.
FEBS Lett., 581, 2007
|
|
2V3S
 | | Structural insights into the recognition of substrates and activators by the OSR1 kinase | | 分子名称: | ACETATE ION, SERINE/THREONINE-PROTEIN KINASE OSR1, SERINE/THREONINE-PROTEIN KINASE WNK4 | | 著者 | Villa, F, Goebel, J, Rafiqi, F.H, Deak, M, Thastrup, J, Alessi, D.R, van Aalten, D.M.F. | | 登録日 | 2007-06-21 | | 公開日 | 2007-07-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Insights Into the Recognition of Substrates and Activators by the Osr1 Kinase
Embo Rep., 8, 2007
|
|
2XSA
 | |
2XUC
 | | Natural product-guided discovery of a fungal chitinase inhibitor | | 分子名称: | 1-methyl-3-(N-methylcarbamimidoyl)urea, CHITINASE, CHLORIDE ION, ... | | 著者 | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | | 登録日 | 2010-10-18 | | 公開日 | 2010-10-27 | | 最終更新日 | 2019-01-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
|
|
2XTK
 | |
2XWX
 | | Vibrio cholerae colonization factor GbpA crystal structure | | 分子名称: | GLCNAC-BINDING PROTEIN A | | 著者 | Wong, E, Vaaje-Kolstad, G, Ghosh, A, Guerrero, R.H, Konarev, P.V, Ibrahim, A.F.M, Svergun, D.I, Eijsink, V.G.H, Chatterjee, N.S, van Aalten, D.M.F. | | 登録日 | 2010-11-06 | | 公開日 | 2011-11-16 | | 最終更新日 | 2015-04-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Vibrio Cholerae Colonization Factor Gbpa Possesses a Modular Structure that Governs Binding to Different Host Surfaces.
Plos Pathog., 8, 2012
|
|
2XVN
 | | A. fumigatus chitinase A1 phenyl-methylguanylurea complex | | 分子名称: | 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION | | 著者 | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | | 登録日 | 2010-10-26 | | 公開日 | 2010-11-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
|
|
2XSB
 | | OgOGA PUGNAc complex | | 分子名称: | 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHLORIDE ION, HYALURONOGLUCOSAMINIDASE | | 著者 | Schuttelkopf, A.W, van Aalten, D.M.F. | | 登録日 | 2010-09-27 | | 公開日 | 2011-03-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
|
|
2XZ3
 | | BLV TM hairpin | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MALTOSE ABC TRANSPORTER PERIPLASMIC PROTEIN, ... | | 著者 | Schuettelkopf, A.W, Lamb, D, Brighty, D.W, van Aalten, D.M.F. | | 登録日 | 2010-11-22 | | 公開日 | 2011-03-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Charge-Surrounded Pockets and Electrostatic Interactions with Small Ions Modulate the Activity of Retroviral Fusion Proteins.
Plos Pathog., 7, 2011
|
|
2VWI
 | | Structure of the OSR1 kinase, a hypertension drug target | | 分子名称: | GOLD ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Villa, F, Deak, M, Alessi, D.R, vanAalten, D.M.F. | | 登録日 | 2008-06-25 | | 公開日 | 2008-07-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure of the Osr1 Kinase, a Hypertension Drug Target.
Proteins, 73, 2008
|
|
7U34
 | | The structure of phosphoglucose isomerase from Aspergillus fumigatus | | 分子名称: | CHLORIDE ION, CITRATE ANION, GLYCEROL, ... | | 著者 | Yan, K, Kowalski, B, Fang, W, van Aalten, D. | | 登録日 | 2022-02-25 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
|
|
3GNI
 | | Structure of STRAD and MO25 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, Protein Mo25, ... | | 著者 | Zeqiraj, E, Goldie, S, Alessi, D.R, van Aalten, D.M.F. | | 登録日 | 2009-03-17 | | 公開日 | 2009-06-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | ATP and MO25alpha regulate the conformational state of the STRADalpha pseudokinase and activation of the LKB1 tumour suppressor
Plos Biol., 7, 2009
|
|
5DIY
 | | Thermobaculum terrenum O-GlcNAc hydrolase mutant - D120N | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronidase, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | | 著者 | Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F. | | 登録日 | 2015-09-01 | | 公開日 | 2015-10-28 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
|
|
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
|
|
6TN3
 | |
6G9V
 | | Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase(AfUAP1) in complex with UDPGlcNAc, pyrophosphate and Mg2+ | | 分子名称: | MAGNESIUM ION, PYROPHOSPHATE, UDP-N-acetylglucosamine pyrophosphorylase, ... | | 著者 | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor
RSC Chem. Biol., 2020
|
|
6G9W
 | | Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with UTP | | 分子名称: | UDP-N-acetylglucosamine pyrophosphorylase, URIDINE 5'-TRIPHOSPHATE | | 著者 | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor
RSC Chem. Biol., 2020
|
|
5FIH
 | | SACCHAROMYCES CEREVISIAE GAS2P (E176Q MUTANT) IN COMPLEX WITH LAMINARITETRAOSE AND LAMINARIPENTAOSE | | 分子名称: | 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 | | 著者 | Raich, L, Borodkin, V, van Aalten, D.M.F, Hurtado-Guerrero, R, Rovira, C. | | 登録日 | 2015-09-25 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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
|
|
5DJS
 | | Thermobaculum terrenum O-GlcNAc transferase mutant - K341M | | 分子名称: | Tetratricopeptide TPR_2 repeat protein, URIDINE-5'-DIPHOSPHATE | | 著者 | Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F. | | 登録日 | 2015-09-02 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
|
|
6RHE
 | | CpOGA D298N in complex with hOGA-derived S-GlcNAc peptide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-ALA-HIS-CYS-GLY-NH2, CADMIUM ION, ... | | 著者 | Van Aalten, D, Bartual, S.G, Gorelik, A. | | 登録日 | 2019-04-19 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Genetic recoding to dissect the roles of site-specific protein O-GlcNAcylation.
Nat.Struct.Mol.Biol., 26, 2019
|
|
4WPG
 | | Group A Streptococcus GacA is an essential dTDP-4-dehydrorhamnose reductase (RmlD) | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, ... | | 著者 | van der Beek, S.L, Le Breton, Y, Ferenbach, A.T, van Aalten, D.M.F, Navratilova, I, McIver, K, van Sorge, N.M, Dorfmueller, H.C. | | 登録日 | 2014-10-18 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | GacA is essential for Group A Streptococcus and defines a new class of monomeric dTDP-4-dehydrorhamnose reductases (RmlD).
Mol.Microbiol., 98, 2015
|
|
5LVV
 | | Human OGT in complex with UDP and fused substrate peptide (Tab1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE | | 著者 | Raimi, O. | | 登録日 | 2016-09-14 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
|
|
4XI9
 | | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2) | | 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, Retinoblastoma-like protein 2, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | 著者 | Schimpl, M, van Aalten, D.M.F. | | 登録日 | 2015-01-06 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
|
|
4XIF
 | | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7) | | 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, Keratin, type II cytoskeletal 7, ... | | 著者 | Schimpl, M, van Aalten, D.M.F. | | 登録日 | 2015-01-06 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
|
|
2J4O
 | | Structure of TAB1 | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7-INTERACTING PROTEIN 1 | | 著者 | van Aalten, D. | | 登録日 | 2006-09-01 | | 公開日 | 2006-09-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Tak1-Binding Protein 1 is a Pseudophosphatase.
Biochem.J., 399, 2006
|
|
