8WD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wd4 by Molmil](/molmil-images/mine/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
|
|
7YRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yru by Molmil](/molmil-images/mine/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
|
|
4DWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dww by Molmil](/molmil-images/mine/4dww) | |
8FAZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8faz by Molmil](/molmil-images/mine/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
|
|
8GBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gbj by Molmil](/molmil-images/mine/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
|
|
6K9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k9i by Molmil](/molmil-images/mine/6k9i) | |
6KBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kbr by Molmil](/molmil-images/mine/6kbr) | |
3KDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kdc by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kdd by Molmil](/molmil-images/mine/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
|
|
7CBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cbx by Molmil](/molmil-images/mine/7cbx) | |
6AI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ai2 by Molmil](/molmil-images/mine/6ai2) | |
6AI1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ai1 by Molmil](/molmil-images/mine/6ai1) | |
6AI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ai3 by Molmil](/molmil-images/mine/6ai3) | |
6AI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ai0 by Molmil](/molmil-images/mine/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
|
|
8JOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jog by Molmil](/molmil-images/mine/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
|
|
8JOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jof by Molmil](/molmil-images/mine/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
|
|
3NLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nls by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kfk by Molmil](/molmil-images/mine/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
|
|
3VWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vwl by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vwr by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vwm by Molmil](/molmil-images/mine/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
|
|
3VWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vwq by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vwp by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vwn by Molmil](/molmil-images/mine/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
|
|
3W32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w32 by Molmil](/molmil-images/mine/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
|
|