3ZJ8
 
 | | Crystal structure of strictosidine glucosidase in complex with inhibitor-2 | | Descriptor: | (1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE | | Authors: | Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J. | | Deposit date: | 2013-01-17 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
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3ZY3
 | | Crystal structure of POFUT1 in complex with GDP (crystal-form-III) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, SULFATE ION | | Authors: | Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R. | | Deposit date: | 2011-08-17 | | Release date: | 2011-09-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
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3ZY6
 | | Crystal structure of POFUT1 in complex with GDP-fucose (crystal-form-II) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1 | | Authors: | Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R. | | Deposit date: | 2011-08-17 | | Release date: | 2011-09-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
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4ATD
 | | Crystal structure of native Raucaffricine glucosidase | | Descriptor: | RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | | Authors: | Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J. | | Deposit date: | 2012-05-05 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
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4ATL
 | | Crystal structure of Raucaffricine glucosidase in complex with Glucose | | Descriptor: | RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, beta-D-glucopyranose | | Authors: | Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J. | | Deposit date: | 2012-05-08 | | Release date: | 2013-01-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
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4A3Y
 | | Crystal structure of Raucaffricine glucosidase from ajmaline biosynthesis pathway | | Descriptor: | GLYCEROL, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | | Authors: | Xia, L, Ruppert, M, Wang, M, Panjikar, S, Barleben, L, Rajendran, C, Lin, H, Stoeckigt, J. | | Deposit date: | 2011-10-06 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity.
Acs Chem.Biol., 7, 2012
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4PFM
 | | SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE | | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, CITRATE ANION, GLYCEROL, ... | | Authors: | Wubben, J.M, Paxman, J.J, Dogovski, C, Panjikar, S, Perugini, M.A. | | Deposit date: | 2014-04-30 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.327 Å) | | Cite: | Defining a Molecular Determinant of Lysine-Mediated Allosteric Inhibition of DHDPS.
To Be Published
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4MGH
 | | Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight from Xenon Trapping and Statistical Coupling Analysis | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R. | | Deposit date: | 2013-08-28 | | Release date: | 2013-12-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Plos One, 8, 2013
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4B4P
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF. | | Descriptor: | BROMIDE ION, F18 FIMBRIAL ADHESIN AC, SULFATE ION | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
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3ZY5
 | | Crystal structure of POFUT1 in complex with GDP-fucose (crystal-form-I) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, ... | | Authors: | Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R. | | Deposit date: | 2011-08-17 | | Release date: | 2011-09-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
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5AK6
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-02 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AKH
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-03 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AI6
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 5-BROMOQUINOLINE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-02-12 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5ALE
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 4-chloro-2-isoxazol-5-yl-phenol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-08 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AI0
 | | Ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 4-PHENYL-1,2,5-OXADIAZOL-3-AMINE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-02-11 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AI8
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 6-methyl-1,3-benzothiazol-2-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-02-12 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AHX
 | | Apo structure of soluble epoxide hydrolase | | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, SULFATE ION | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-02-10 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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4BEB
 | | MUTANT (K220E) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, TYPE I RESTRICTION ENZYME HSDR | | Authors: | Csefalvay, E, Lapkouski, M, Guzanova, A, Csefalvay, L, Baikova, T, Shevelev, I, Janscak, P, Smatanova, I.K, Panjikar, S, Carey, J, Weiserova, M, Ettrich, R. | | Deposit date: | 2013-03-07 | | Release date: | 2014-03-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.989 Å) | | Cite: | Functional Coupling of Duplex Translocation to DNA Cleavage in a Type I Restriction Enzyme.
Plos One, 10, 2015
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4B4Q
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood group A type 1 hexasaccharide | | Descriptor: | F18 FIMBRIAL ADHESIN AC, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
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4BAI
 | | Mycobacterium tuberculosis Chorismate synthase before exposure to 266 nm UV laser | | Descriptor: | ACETATE ION, CHORISMATE SYNTHASE | | Authors: | Pereira, P.J.B, Royant, A, Panjikar, S, de Sanctis, D. | | Deposit date: | 2012-09-14 | | Release date: | 2013-04-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In-house UV radiation-damage-induced phasing of selenomethionine-labeled protein structures.
J. Struct. Biol., 181, 2013
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4B4R
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood group B type 1 hexasaccharide | | Descriptor: | F18 FIMBRIAL ADHESIN AC, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
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5AK3
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, INDAN-2-AMINE, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-02 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5ALH
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-N-(p-tolylmethyl)piperidine-1-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-08 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AKI
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-03 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AKE
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-03 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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