1H9G
 
 | | FadR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI, in complex with myristoyl-CoA | | Descriptor: | COENZYME A, FATTY ACID METABOLISM REGULATOR PROTEIN, MYRISTIC ACID | | Authors: | Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J. | | Deposit date: | 2001-03-09 | | Release date: | 2001-03-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structural Basis of Acyl Coenzyme A-Dependent Regulation of the Transcription Factor Fadr
Embo J., 20, 2001
|
|
1H9T
 | | FADR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI IN COMPLEX WITH FADB OPERATOR | | Descriptor: | 5'-D(*CP*AP*TP*CP*TP*GP*GP*TP*AP*CP*GP*AP* CP*CP*AP*GP*AP*TP*C)-3', 5'-D(*GP*AP*TP*CP*TP*GP*GP*TP*CP*GP*TP*AP* CP*CP*AP*GP*AP*TP*G)-3', CHLORIDE ION, ... | | Authors: | Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J. | | Deposit date: | 2001-03-19 | | Release date: | 2001-04-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | The Structural Basis of Acyl Coenzyme A-Dependent Regulation of the Transcription Factor Fadr
Embo J., 20, 2001
|
|
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
|
|
1GSW
 | | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN G51S MUTANT | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | | Deposit date: | 2002-01-09 | | Release date: | 2002-02-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Engineering Photocycle Dynamics: Crystal Structures and Kinetics of Three Photoactive Yellow Protein Hinge-Bending Mutants
J.Biol.Chem., 227, 2002
|
|
1GSX
 | | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN G47S/G51S MUTANT | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | | Deposit date: | 2002-01-09 | | Release date: | 2002-02-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Engineering Photocycle Dynamics: Crystal Structures and Kinetics of Three Photoactive Yellow Protein Hinge-Bending Mutants
J.Biol.Chem., 227, 2002
|
|
1GSV
 | | Crystal structure of the P65 crystal form of photoactive yellow protein G47S mutant | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | | Deposit date: | 2002-01-08 | | Release date: | 2002-02-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Engineering Photocycle Dynamics: Crystal Structures and Kinetics of Three Photoactive Yellow Protein Hinge-Bending Mutants
J.Biol.Chem., 227, 2002
|
|
1KOU
 | | Crystal Structure of the Photoactive Yellow Protein Reconstituted with Caffeic Acid at 1.16 A Resolution | | Descriptor: | CAFFEIC ACID, N-BUTANE, PHOTOACTIVE YELLOW PROTEIN | | Authors: | van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | | Deposit date: | 2001-12-22 | | Release date: | 2002-04-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structure of the photoactive yellow protein reconstituted with caffeic acid at 1.16 A resolution.
Acta Crystallogr.,Sect.D, 58, 2002
|
|
4EZA
 | | Crystal structure of the atypical phosphoinositide (aPI) binding domain of IQGAP2 | | Descriptor: | Ras GTPase-activating-like protein IQGAP2 | | Authors: | Van Aalten, D.M.F, Dixon, M.J, Gray, A, Schenning, M, Agacan, M, Leslie, N.R, Downes, C.P, Batty, I.H, Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-05-02 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | IQGAP Proteins Reveal an Atypical Phosphoinositide (aPI) Binding Domain with a Pseudo C2 Domain Fold.
J.Biol.Chem., 287, 2012
|
|
1CW9
 | | DNA DECAMER WITH AN ENGINEERED CROSSLINK IN THE MINOR GROOVE | | Descriptor: | 5'-D(*CP*CP*AP*GP*(G47)P*CP*CP*TP*GP*G)-3', CALCIUM ION | | Authors: | van Aalten, D.M.F, Erlanson, D.A, Verdine, G.L, Joshua-Tor, L. | | Deposit date: | 1999-08-26 | | Release date: | 1999-10-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A structural snapshot of base-pair opening in DNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
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
|
|
1D7E
 | | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | | Deposit date: | 1999-10-17 | | Release date: | 2000-03-31 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility.
Protein Sci., 9, 2000
|
|
1HBK
 | | Acyl-CoA binding protein from Plasmodium falciparum | | Descriptor: | ACYL-COA BINDING PROTEIN, COENZYME A, MYRISTIC ACID, ... | | Authors: | van Aalten, D.M.F. | | Deposit date: | 2001-04-16 | | Release date: | 2001-05-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein.
J. Mol. Biol., 309, 2001
|
|
1E15
 | | Chitinase B from Serratia Marcescens | | Descriptor: | CHITINASE B | | Authors: | Van Aalten, D.M.F, Synstad, B, Brurberg, M.B, Hough, E, Riise, B.W, Eijsink, V.G.H, Wierenga, R.K. | | Deposit date: | 2000-04-18 | | Release date: | 2000-08-18 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a Two-Domain Chitotriosidase from Serratia Marcescens at 1.9 Angstrom Resoltuion
Proc.Natl.Acad.Sci.USA, 97, 2000
|
|
6EOU
 | |
5OXD
 | |
6Z2F
 | |
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
|
|
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
|
|
2A3C
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline | | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase | | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | | Deposit date: | 2005-06-24 | | Release date: | 2005-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
|
|
2A3E
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, SULFATE ION, ... | | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | | Deposit date: | 2005-06-24 | | Release date: | 2005-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
|
|
2A3B
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine | | Descriptor: | CAFFEINE, SULFATE ION, chitinase | | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | | Deposit date: | 2005-06-24 | | Release date: | 2005-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
|
|
4WPG
 | | Group A Streptococcus GacA is an essential dTDP-4-dehydrorhamnose reductase (RmlD) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, ... | | Authors: | 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. | | Deposit date: | 2014-10-18 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | GacA is essential for Group A Streptococcus and defines a new class of monomeric dTDP-4-dehydrorhamnose reductases (RmlD).
Mol.Microbiol., 98, 2015
|
|
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
|
|
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: | 2024-10-23 | | 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
|
|
1HNU
 | | CRYSTAL STRUCTURE OF PEROXISOMAL DELTA3-DELTA2-ENOYL-COA ISOMERASE FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | 1,2-ETHANEDIOL, D3,D2-ENOYL COA ISOMERASE ECI1, PERRHENATE | | Authors: | Mursula, A.M, van Aalten, D.M.F, Hiltunen, J.K, Wierenga, R.K. | | Deposit date: | 2000-12-08 | | Release date: | 2001-06-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The crystal structure of delta(3)-delta(2)-enoyl-CoA isomerase.
J.Mol.Biol., 309, 2001
|
|
