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
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7YRU
 | | ALK2 antibody complex | | Descriptor: | Activin receptor type-1, antibody heavy chain, antibody light chain | | Authors: | Kawaguchi, Y, Nakamura, K, Suzuki, M, Tsuji, S, Katagiri, T. | | Deposit date: | 2022-08-10 | | Release date: | 2023-05-17 | | Last modified: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A blocking monoclonal antibody reveals dimerization of intracellular domains of ALK2 associated with genetic disorders.
Nat Commun, 14, 2023
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4DWW
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8FAZ
 | | Cryo-EM structure of the human BCDX2 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog 2, DNA repair protein RAD51 homolog 3, ... | | Authors: | Jia, L, Wasmuth, E.V, Ruben, E.A, Sung, P, Rawal, Y, Greene, E.C, Meir, A, Olsen, S.K. | | Deposit date: | 2022-11-29 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural insights into BCDX2 complex function in homologous recombination.
Nature, 619, 2023
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8GBJ
 | | Cryo-EM structure of a human BCDX2/ssDNA complex | | Descriptor: | DNA (5'-D(P*CP*CP*CP*CP*CP*C)-3'), DNA repair protein RAD51 homolog 2, DNA repair protein RAD51 homolog 3, ... | | Authors: | Jia, L, Wasmuth, E.V, Ruben, E.A, Sung, P, Rawal, Y, Greene, E.C, Meir, A, Olsen, S.K. | | Deposit date: | 2023-02-26 | | Release date: | 2023-06-21 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural insights into BCDX2 complex function in homologous recombination.
Nature, 619, 2023
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6K9I
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6KBR
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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
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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
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7CBX
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6AI2
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6AI1
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6AI3
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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