4NBA
 
 | | Carbazole-bound oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase | | Descriptor: | 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | | Deposit date: | 2013-10-23 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014
|
|
4NBE
 | | Fluorene-bound oxygenase with Phe275 replaced by Trp and ferredoxin complex of carbazole 1,9a-dioxygenase (form2) | | Descriptor: | 9H-fluorene, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | | Deposit date: | 2013-10-23 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014
|
|
8IMD
 | | Crystal structure of Cu/Zn Superoxide dismutase from Paenibacillus lautus | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, Cu/Zn-Superoxide dismutase, ... | | Authors: | Narikiyo, S, Furukawa, Y, Akutsu, M. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Characterization of a novel cysteine-less Cu/Zn-superoxide dismutase in Paenibacillus lautus missing a conserved disulfide bond.
J.Biol.Chem., 299, 2023
|
|
8JOF
 | | solution-structure of Ras Binding Domain (RBD) in C-RAF | | Descriptor: | RAF proto-oncogene serine/threonine-protein kinase | | Authors: | Makino, Y, Matsumoto, S, Yoshikawa, Y, Kawamura, T, Kumasaka, T, Shima, F. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-12 | | Method: | SOLUTION NMR | | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
|
|
8JOG
 | | solution structure of Ras Binding Domein (RBD) in C-RAF with negative allosteric modulator. | | Descriptor: | RAF proto-oncogene serine/threonine-protein kinase | | Authors: | Makino, Y, Matsumoto, S, Yoshikawa, Y, Kawamura, T, Kumasaka, T, Shima, F. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-12 | | Method: | SOLUTION NMR | | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
|
|
1BFG
 | | CRYSTAL STRUCTURE OF BASIC FIBROBLAST GROWTH FACTOR AT 1.6 ANGSTROMS RESOLUTION | | Descriptor: | BASIC FIBROBLAST GROWTH FACTOR | | Authors: | Kitagawa, Y, Ago, H, Katsube, Y, Fujishima, A, Matsuura, Y. | | Deposit date: | 1993-04-15 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of basic fibroblast growth factor at 1.6 A resolution.
J.Biochem.(Tokyo), 110, 1991
|
|
4DWW
 | |
3KDC
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10074 | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M. | | Deposit date: | 2009-10-22 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
|
|
3KDD
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10265 | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | | Authors: | Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M. | | Deposit date: | 2009-10-22 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
|
|
6AI3
 | |
6AI0
 | | Structure of the 328-692 fragment of FlhA (orthorhombic form) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, Flagellar biosynthesis protein FlhA | | Authors: | Ogawa, Y, Kinoshita, M, Minamino, T, Imada, K. | | Deposit date: | 2018-08-21 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into the Substrate Specificity Switch Mechanism of the Type III Protein Export Apparatus.
Structure, 27, 2019
|
|
3VWQ
 | | 6-aminohexanoate-dimer hydrolase S112A/G181D/R187A/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 (1.7 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
|
|
3VWP
 | | Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187S/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 (1.55 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
|
|
3VWN
 | | Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/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 (1.2 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
|
|
8J91
 | | Cryo-EM structure of nucleosome containing Arabidopsis thaliana histones | | Descriptor: | DNA (169-MER), HTA13, Histone H2B.6, ... | | Authors: | Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T. | | Deposit date: | 2023-05-02 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1
Nat Commun, 2024
|
|
8J90
 | | Cryo-EM structure of DDM1-nucleosome complex | | Descriptor: | ATP-dependent DNA helicase DDM1, DNA (169-MER), HTA6, ... | | Authors: | Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T. | | Deposit date: | 2023-05-02 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.71 Å) | | Cite: | Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1
Nat Commun, 2024
|
|
8J92
 | | Cryo-EM structure of nucleosome containing Arabidopsis thaliana H2A.W | | Descriptor: | DNA (169-MER), HTA6, HTB9, ... | | Authors: | Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T. | | Deposit date: | 2023-05-02 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1
Nat Commun, 2024
|
|
3W32
 | | EGFR kinase domain complexed with compound 20a | | Descriptor: | 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | | Authors: | Sogabe, S, Kawakita, Y. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
|
|
3W33
 | | EGFR kinase domain complexed with compound 19b | | Descriptor: | 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | | Authors: | Sogabe, S, Kawakita, Y. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
|
|
8WD4
 | | EGFR(L858R/T790/C797S) in complex with compound 5j | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide | | Authors: | Nishikawa, Y. | | Deposit date: | 2023-09-14 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation.
Bioorg.Med.Chem.Lett., 98, 2023
|
|
3NLS
 | | Crystal Structure of HIV-1 Protease in Complex with KNI-10772 | | Descriptor: | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Gabelli, S.B, Kawasaki, Y, Freire, E, Amzel, L.M. | | Deposit date: | 2010-06-21 | | Release date: | 2011-09-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of HIV-1 Protease in Complex with KNI-10772
To be Published
|
|
2KFK
 | | Solution structure of Bem1p PB1 domain complexed with Cdc24p PB1 domain | | Descriptor: | Bud emergence protein 1, Cell division control protein 24 | | Authors: | Kobashigawa, Y, Yoshinaga, S, Tandai, T, Ogura, K, Inagaki, F. | | Deposit date: | 2009-02-23 | | Release date: | 2009-10-06 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the heterodimer of Bem1 and Cdc24 PB1 domains from Saccharomyces cerevisiae
J.Biochem., 146, 2009
|
|
2KE4
 | |
2KBT
 | | Attachment of an NMR-invisible solubility enhancement tag (INSET) using a sortase-mediated protein ligation method | | Descriptor: | Proto-oncogene vav,Immunoglobulin G-binding protein G | | Authors: | Kumeta, H, Kobashigawa, Y, Ogura, K, Inagaki, F. | | Deposit date: | 2008-12-07 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Attachment of an NMR-invisible solubility enhancement tag using a sortase-mediated protein ligation method
J.Biomol.Nmr, 43, 2009
|
|
2LDR
 | |
