7WEA
 
 | |
2GH5
 | | Crystal Structure of human Glutathione Reductase complexed with a Fluoro-Analogue of the Menadione Derivative M5 | | Descriptor: | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Fritz-Wolf, K, Winzer, A, Bauer, H, Schirmer, H, Davioud-Charvet, E. | | Deposit date: | 2006-03-25 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A fluoro analogue of the menadione derivative 6-[2'-(3'-methyl)-1',4'-naphthoquinolyl]hexanoic acid is a suicide substrate of glutathione reductase. Crystal structure of the alkylated human enzyme
J.Am.Chem.Soc., 128, 2006
|
|
3DF0
 | | Calcium-dependent complex between m-calpain and calpastatin | | Descriptor: | CALCIUM ION, Calpain small subunit 1, Calpain-2 catalytic subunit, ... | | Authors: | Moldoveanu, T, Gehring, K, Green, D.R. | | Deposit date: | 2008-06-11 | | Release date: | 2008-11-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Concerted multi-pronged attack by calpastatin to occlude the catalytic cleft of heterodimeric calpains.
Nature, 456, 2008
|
|
8Y2S
 | | P-hydroxybenzoate hydroxylase complexed with 4-hydroxy-3-methylbenzoic acid | | Descriptor: | 3-methyl-4-oxidanyl-benzoic acid, 4-hydroxybenzoate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hara, K, Hashimoto, H, Matsushita, T, Kishimoto, S, Watanabe, K. | | Deposit date: | 2024-01-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional Enhancement of Flavin-Containing Monooxygenase through Machine Learning Methodology
Acs Catalysis, 14, 2024
|
|
7V2Z
 | | ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ... | | Authors: | Lin, M.M, Yang, H.T. | | Deposit date: | 2021-08-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.10101676 Å) | | Cite: | Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis.
Acs Infect Dis., 8, 2022
|
|
6RNB
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 50ms diffusion time | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-05-08 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
|
|
6RNC
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 - 100ms diffusion time. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-05-08 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
|
|
6RNF
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 30 ms timepoint | | Descriptor: | MAGNESIUM ION, Xylose isomerase, alpha-D-glucopyranose | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-05-08 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
|
|
6LVL
 | | Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative | | Descriptor: | Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION | | Authors: | Echizen, Y, Tateishi, Y, Amano, Y. | | Deposit date: | 2020-02-04 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
|
|
3VMH
 | | Oxygen-bound complex between oxygenase and ferredoxin in carbazole 1,9a-dioxygenase | | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin component of carbazole, ... | | Authors: | Ashikawa, Y, Nojiri, H. | | Deposit date: | 2011-12-12 | | Release date: | 2012-08-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural insight into the substrate- and dioxygenbinding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9adioxygenase
Bmc Struct.Biol., 12, 2012
|
|
3VMG
 | | Reduced carbazole-bound complex between oxygenase and ferredoxin in carbazole 1,9a-dioxygenase | | Descriptor: | 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Ashikawa, Y, Nojiri, H. | | Deposit date: | 2011-12-12 | | Release date: | 2012-08-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insight into the substrate- and dioxygenbinding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9adioxygenase
Bmc Struct.Biol., 12, 2012
|
|
3VMI
 | | Carbazole- and oxygen-bound complex between oxygenase and ferredoxin in carbazole 1,9a-dioxygenase | | Descriptor: | 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Ashikawa, Y, Nojiri, H. | | Deposit date: | 2011-12-12 | | Release date: | 2012-08-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insight into the substrate- and dioxygenbinding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9adioxygenase
Bmc Struct.Biol., 12, 2012
|
|
7C91
 | | Blasnase-T13A with D-asn | | Descriptor: | D-ASPARAGINE, FORMIC ACID, L-asparaginase, ... | | Authors: | Lu, F, Ran, T, Jiao, L, Wang, W. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
|
|
7CBU
 | | Blasnase-T13A with L-Asp | | Descriptor: | ASPARTIC ACID, FORMIC ACID, L-asparaginase, ... | | Authors: | Lu, F, Ran, T, Jiao, L, Wang, W. | | Deposit date: | 2020-06-14 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
|
|
7CB4
 | | Crystal structures of of BlAsnase | | Descriptor: | FORMIC ACID, GLYCEROL, L-asparaginase, ... | | Authors: | Lu, F, Ran, T, Jiao, L, Wang, W. | | Deposit date: | 2020-06-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
|
|
7C8Q
 | | Blasnase-T13A with D-asn | | Descriptor: | Asparaginase, D-ASPARAGINE, FORMIC ACID, ... | | Authors: | Lu, F, Ran, T, Jiao, L, Wang, W. | | Deposit date: | 2020-06-03 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
|
|
7C8X
 | | Blasnase-T13A with L-asn | | Descriptor: | ASPARAGINE, Asparaginase, FORMIC ACID, ... | | Authors: | Lu, F, Ran, T, Jiao, L, Wang, W. | | Deposit date: | 2020-06-03 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.994 Å) | | Cite: | Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
|
|
7CBW
 | | Blasnase-T13A with D-asn | | Descriptor: | FORMIC ACID, L-asparaginase, MAGNESIUM ION | | Authors: | Lu, F, Ran, T, Jiao, L, Wang, W. | | Deposit date: | 2020-06-15 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
|
|
7CBR
 | | Blasnase-T13A with D-asn | | Descriptor: | D-ASPARAGINE, FORMIC ACID, L-asparaginase, ... | | Authors: | Lu, F, Ran, T, Jiao, L, Wang, W. | | Deposit date: | 2020-06-13 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
|
|
3VWL
 | | Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | | Deposit date: | 2012-08-30 | | Release date: | 2013-10-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
|
|
3VWR
 | | Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187G/H266N/D370Y mutant complexd with 6-aminohexanoate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | | Deposit date: | 2012-08-30 | | Release date: | 2013-10-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
|
|
3VWM
 | | Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187A/H266N/D370Y mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | | Deposit date: | 2012-08-30 | | Release date: | 2013-10-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
|
|
3VTC
 | | Crystal structure of rat vitamin D receptor bound to a partial agonist 26-adamantyl-23-yne-19-norvitammin D ADTK3 | | Descriptor: | (1R,3R,7E,17beta)-17-{(2R,6R)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 1,2-ETHANEDIOL, COACTIVATOR PEPTIDE DRIP, ... | | Authors: | Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N. | | Deposit date: | 2012-05-26 | | Release date: | 2013-06-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor.
J.Med.Chem., 2014
|
|
3VTB
 | | Crystal structure of rat vitamin D receptor bound to a partial agonist 25-adamantyl-23-yne-19-norvitammin D ADTK1 | | Descriptor: | (1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N. | | Deposit date: | 2012-05-26 | | Release date: | 2013-06-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor.
J.Med.Chem., 2014
|
|
7YRA
 | | Crystal structure of [2Fe-2S]-TtPetA | | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | | Authors: | Tsutsumi, E, Niwa, S, Takeda, K. | | Deposit date: | 2022-08-09 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure of a putative immature form of a Rieske-type iron-sulfur protein in complex with zinc chloride.
Commun Chem, 6, 2023
|
|
