4Z2I
 
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 30 | | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, Chitinase B, GLYCEROL, ... | | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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5VUA
 | | Pim1 Kinase in complex with a benzofuranone inhibitor | | Descriptor: | (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Parker, L.J. | | Deposit date: | 2017-05-18 | | Release date: | 2017-12-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach
J Chem Inf Model, 57, 2017
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5VUC
 | | Pim1 Kinase in complex with a benzofuranone inhibitor | | Descriptor: | (2Z)-2-(1H-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Parker, L.J. | | Deposit date: | 2017-05-18 | | Release date: | 2017-12-13 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach
J Chem Inf Model, 57, 2017
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5VUB
 | | Pim1 Kinase in complex with a benzofuranone inhibitor | | Descriptor: | (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Parker, L.J. | | Deposit date: | 2017-05-18 | | Release date: | 2017-12-13 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach
J Chem Inf Model, 57, 2017
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1WYC
 | | Structure of 6-aminohexanoate-dimer hydrolase, DN mutant | | Descriptor: | 6-aminohexanoate-dimer hydrolase | | Authors: | Negoro, S, Ohki, T, Shibata, N, Mizuno, N, Wakitani, Y, Tsurukame, J, Matsumoto, K, Kawamoto, I, Takeo, M, Higuchi, Y. | | Deposit date: | 2005-02-09 | | Release date: | 2006-02-21 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Nylon-oligomer degrading enzyme/substrate complex: catalytic mechanism of 6-aminohexanoate-dimer hydrolase
J.Mol.Biol., 370, 2007
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5Y95
 | | Haddock model of mSIN3B PAH1 domain | | Descriptor: | Paired amphipathic helix protein Sin3b, propan-2-yl (3R,6S,9aS)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate | | Authors: | Kurita, J, Hirao, Y, Nishimura, Y. | | Deposit date: | 2017-08-22 | | Release date: | 2017-10-04 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A mimetic of the mSin3-binding helix of NRSF/REST ameliorates abnormal pain behavior in chronic pain models.
Bioorg. Med. Chem. Lett., 27, 2017
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3AJB
 | | Crystal Structure of human Pex3p in complex with N-terminal Pex19p peptide | | Descriptor: | Peroxisomal biogenesis factor 19, Peroxisomal biogenesis factor 3 | | Authors: | Sato, Y, Shibata, H, Nakatsu, T, Kato, H. | | Deposit date: | 2010-05-27 | | Release date: | 2010-12-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for docking of peroxisomal membrane protein carrier Pex19p onto its receptor Pex3p
Embo J., 29, 2010
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2DCF
 | | Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | | Authors: | Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S. | | Deposit date: | 2006-01-06 | | Release date: | 2007-01-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Nylon-oligomer degrading enzyme/substrate complex: catalytic mechanism of 6-aminohexanoate-dimer hydrolase
J.Mol.Biol., 370, 2007
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7JRU
 | | Phospholipase D engineered mutant bound to phosphatidic acid (8 hour soak) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-13 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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7JRB
 | | Phospholipase D engineered mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Phospholipase D | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-12 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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7JRC
 | | Phospholipase D engineered mutant in complex with phosphate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-12 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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7JRW
 | | Phospholipase D engineered mutant bound to phosphatidic acid (5 day soak) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-13 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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7JS7
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7JRV
 | | Phospholipase D engineered mutant bound to phosphatidic acid (30 minute soak) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-13 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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7JS5
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3A6V
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3A6T
 | | Crystal structure of MutT-8-OXO-DGMP complex | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, Mutator mutT protein, SODIUM ION, ... | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2009-09-09 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
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3A6U
 | | Crystal structure of MutT-8-OXO-dGMP-MN(II) complex | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Mutator mutT protein, ... | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2009-09-09 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
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3A6S
 | | Crystal structure of the MutT protein | | Descriptor: | L(+)-TARTARIC ACID, Mutator mutT protein, SODIUM ION | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2009-09-09 | | Release date: | 2009-10-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
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2ZE9
 | | Crystal structure of H168A mutant of phospholipase D from Streptomyces antibioticus, as a complex with phosphatidylcholine | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Phospholipase D | | Authors: | Suzuki, A, Toda, H, Iwasaki, Y, Yamane, T, Yamane, T. | | Deposit date: | 2007-12-06 | | Release date: | 2007-12-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of phospholipase D from streptomyces antibioticus
To be Published
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2ZE4
 | | Crystal structure of phospholipase D from streptomyces antibioticus | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Phospholipase D | | Authors: | Suzuki, A, Kakuno, K, Saito, R, Iwasaki, Y, Yamane, T, Yamane, T. | | Deposit date: | 2007-12-05 | | Release date: | 2007-12-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of phospholipase D from streptomyces antibioticus
To be Published
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