5Z1A
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5Z18
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5Z1B
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3PHJ
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2XII
| CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH AN EXTENDED 9-FLUORENONE IMINOSUGAR INHIBITOR | Descriptor: | 9-oxo-N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]fluorene-1-carboxamide, ALPHA-L-FUCOSIDASE, GLYCEROL, ... | Authors: | Lammerts van Bueren, A, Popat, S.D, Lin, C.H, Davies, G.J. | Deposit date: | 2010-06-30 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Thermodynamic Analyses of Alpha-L-Fucosidase Inhibitors. Chembiochem, 11, 2010
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2XIB
| CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH DEOXYFUCONOJIRIMYCIN | Descriptor: | (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-L-FUCOSIDASE, ... | Authors: | Lammerts van Bueren, A, Popat, S.D, Lin, C.H, Davies, G.J. | Deposit date: | 2010-06-28 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Thermodynamic Analyses of Alpha-L-Fucosidase Inhibitors. Chembiochem, 11, 2010
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2IO8
| E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, CYSTEINE, ... | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | Deposit date: | 2006-10-10 | Release date: | 2006-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase Embo J., 25, 2006
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2IOA
| E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP and phosphinate inhibitor | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-D-ALANINAMIDE, ... | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | Deposit date: | 2006-10-10 | Release date: | 2006-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase Embo J., 25, 2006
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2IO9
| E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ ,GSH and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, GLUTATHIONE, ... | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | Deposit date: | 2006-10-10 | Release date: | 2006-12-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase Embo J., 25, 2006
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2IOB
| E. coli Bifunctional glutathionylspermidine synthetase/amidase Apo protein | Descriptor: | Bifunctional glutathionylspermidine synthetase/amidase | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | Deposit date: | 2006-10-10 | Release date: | 2006-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase Embo J., 25, 2006
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2IO7
| E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and AMPPNP | Descriptor: | Bifunctional glutathionylspermidine synthetase/amidase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | Deposit date: | 2006-10-10 | Release date: | 2006-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase Embo J., 25, 2006
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2LZK
| NMR solution structure of an N2-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: Intercalation from the minor groove with ruptured Watson-Crick base pairing | Descriptor: | (11S,12S,13S)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | Authors: | Tang, Y, Liu, Z, Ding, S, Lin, C.H, Cai, Y, Rodriguez, F.A, Sayer, J.M, Jerina, D.M, Amin, S, Broyde, S, Geacintov, N.E. | Deposit date: | 2012-10-04 | Release date: | 2012-11-21 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Solution Structure of an N(2)-Guanine DNA Adduct Derived from the Potent Tumorigen Dibenzo[a,l]pyrene: Intercalation from the Minor Groove with Ruptured Watson-Crick Base Pairing. Biochemistry, 51, 2012
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2MIW
| Nuclear magnetic resonance studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations | Descriptor: | (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | Authors: | Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E. | Deposit date: | 2013-12-20 | Release date: | 2014-04-02 | Last modified: | 2014-04-09 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations. Biochemistry, 53, 2014
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2MIV
| NMR studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations | Descriptor: | (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*GP*AP*TP*GP*G)-3') | Authors: | Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E. | Deposit date: | 2013-12-20 | Release date: | 2014-04-02 | Last modified: | 2014-04-09 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations. Biochemistry, 53, 2014
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2HWQ
| Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists | Descriptor: | Peroxisome proliferator-activated receptor gamma, [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-5-YL)OXY]ACETIC ACID | Authors: | Peng, Y.H, Lu, I.L, Mahindroo, N, Lin, C.H, Hsieh, H.P, Wu, S.Y. | Deposit date: | 2006-08-01 | Release date: | 2007-08-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists J.Med.Chem., 49, 2006
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2HWR
| Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists | Descriptor: | 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Peng, Y.H, Lu, I.L, Mahindroo, N, Lin, C.H, Hsieh, H.P, Wu, S.Y. | Deposit date: | 2006-08-01 | Release date: | 2007-08-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists J.Med.Chem., 49, 2006
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3PHL
| The apo-form UDP-glucose 6-dehydrogenase | Descriptor: | UDP-glucose 6-dehydrogenase | Authors: | Chen, Y.Y, Ko, T.P, Lin, C.H, Chen, W.H, Wang, A.H.J. | Deposit date: | 2010-11-04 | Release date: | 2011-09-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance. J.Struct.Biol., 175, 2011
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3UYY
| Crystal Structures of Branched-Chain Aminotransferase from Deinococcus radiodurans Complexes with alpha-Ketoisocaproate and L-Glutamate Suggest Its Radio-Resistance for Catalysis | Descriptor: | Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chen, C.D, Huang, Y.C, Chuankhayan, P, Hsieh, Y.C, Huang, T.F, Lin, C.H, Guan, H.H, Liu, M.Y, Chang, W.C, Chen, C.J. | Deposit date: | 2011-12-07 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Complexes of the Branched-Chain Aminotransferase from Deinococcus radiodurans with alpha-Ketoisocaproate and L-Glutamate Suggest the Radiation Resistance of This Enzyme for Catalysis J.Bacteriol., 194, 2012
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3UZO
| Crystal Structures of Branched-Chain Aminotransferase from Deinococcus radiodurans Complexes with alpha-Ketoisocaproate and L-Glutamate Suggest Its Radio-Resistance for Catalysis | Descriptor: | Branched-chain-amino-acid aminotransferase, GLUTAMIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chen, C.D, Huang, Y.C, Chuankhayan, P, Hsieh, Y.C, Huang, T.F, Lin, C.H, Guan, H.H, Liu, M.Y, Chang, W.C, Chen, C.J. | Deposit date: | 2011-12-07 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Complexes of the Branched-Chain Aminotransferase from Deinococcus radiodurans with alpha-Ketoisocaproate and L-Glutamate Suggest the Radiation Resistance of This Enzyme for Catalysis J.Bacteriol., 194, 2012
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3UZB
| Crystal Structures of Branched-Chain Aminotransferase from Deinococcus radiodurans Complexes with alpha-Ketoisocaproate and L-Glutamate Suggest Its Radio-Resistance for Catalysis | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chen, C.D, Huang, Y.C, Chuankhayan, P, Hsieh, Y.C, Huang, T.F, Lin, C.H, Guan, H.H, Liu, M.Y, Chang, W.C, Chen, C.J. | Deposit date: | 2011-12-07 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structures of Complexes of the Branched-Chain Aminotransferase from Deinococcus radiodurans with alpha-Ketoisocaproate and L-Glutamate Suggest the Radiation Resistance of This Enzyme for Catalysis J.Bacteriol., 194, 2012
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4ZHT
| Crystal structure of UDP-GlcNAc 2-epimerase | Descriptor: | 2-acetamido-2-deoxy-beta-D-mannopyranose, Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase, CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID, ... | Authors: | Chen, S.C, Yang, C.S, Ko, T.P, Chen, Y. | Deposit date: | 2015-04-27 | Release date: | 2016-06-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Mechanism and inhibition of human UDP-GlcNAc 2-epimerase, the key enzyme in sialic acid biosynthesis. Sci Rep, 6, 2016
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2F4B
| Crystal structure of the ligand binding domain of human PPAR-gamma in complex with an agonist | Descriptor: | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Lu, I.L, Peng, Y.H, Mahindroo, N, Hsieh, H.P, Wu, S.Y. | Deposit date: | 2005-11-23 | Release date: | 2006-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Indol-1-yl Acetic Acids as Peroxisome Proliferator-Activated Receptor Agonists: Design, Synthesis, Structural Biology, and Molecular Docking Studies J.Med.Chem., 49, 2006
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7QR7
| SpCas9 bound to AAVS1 off-target2 DNA substrate | Descriptor: | AAVS1 off-target2 non-target strand, AAVS1 off-target2 target strand, AAVS1 sgRNA, ... | Authors: | Pacesa, M, JInek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QR0
| SpCas9 bound to TRAC off-target1 DNA substrate | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QQQ
| SpCas9 bound to AAVS1 off-target4 DNA substrate | Descriptor: | 1,2-ETHANEDIOL, AAVS1 off-target4 non-target strand, AAVS1 off-target4 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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