4TX6
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![BU of 4tx6 by Molmil](/molmil-images/mine/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
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1H9G
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![BU of 1h9g by Molmil](/molmil-images/mine/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
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1H9T
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![BU of 1h9t by Molmil](/molmil-images/mine/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
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1KOU
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![BU of 1kou by Molmil](/molmil-images/mine/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
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1HBK
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![BU of 1hbk by Molmil](/molmil-images/mine/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
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1CW9
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![BU of 1cw9 by Molmil](/molmil-images/mine/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
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1D7E
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![BU of 1d7e by Molmil](/molmil-images/mine/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
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1E2X
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![BU of 1e2x by Molmil](/molmil-images/mine/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
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1F57
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![BU of 1f57 by Molmil](/molmil-images/mine/1f57) | |
1GSW
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![BU of 1gsw by Molmil](/molmil-images/mine/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
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1GSX
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![BU of 1gsx by Molmil](/molmil-images/mine/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
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1GSV
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![BU of 1gsv by Molmil](/molmil-images/mine/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
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1E15
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![BU of 1e15 by Molmil](/molmil-images/mine/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
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4EZA
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![BU of 4eza by Molmil](/molmil-images/mine/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
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4ZXL
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![BU of 4zxl by Molmil](/molmil-images/mine/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
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3CHF
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![BU of 3chf by Molmil](/molmil-images/mine/3chf) | |
3CHD
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![BU of 3chd by Molmil](/molmil-images/mine/3chd) | |
2G5R
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![BU of 2g5r by Molmil](/molmil-images/mine/2g5r) | Crystal structure of Siglec-7 in complex with methyl-9-(aminooxalyl-amino)-9-deoxyNeu5Ac (oxamido-Neu5Ac) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Sialic acid-binding Ig-like lectin 7, ... | Authors: | Attrill, H, Crocker, P.R, van Aalten, D.M. | Deposit date: | 2006-02-23 | Release date: | 2006-06-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure of siglec-7 in complex with sialosides: leads for rational structure-based inhibitor design. Biochem.J., 397, 2006
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5A0F
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![BU of 5a0f by Molmil](/molmil-images/mine/5a0f) | Crystal structure of Yersinia Afp18-modified RhoA | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Jank, T, Schimpl, M, van Aalten, D.M. | Deposit date: | 2015-04-20 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos. Nat Commun, 6, 2015
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5ZVP
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![BU of 5zvp by Molmil](/molmil-images/mine/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
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1W1B
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![BU of 1w1b by Molmil](/molmil-images/mine/1w1b) | |
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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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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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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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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