4R5Y
 
 | | The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | | Deposit date: | 2014-08-22 | | Release date: | 2016-02-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
|
|
7LTN
 | | Crystal structure of Mpro in complex with inhibitor CDD-1713 | | Descriptor: | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide, 3C-like proteinase | | Authors: | Lu, S, Palzkill, T, Matzuk, M, Young, D, Melek, N, Chamakuri, S. | | Deposit date: | 2021-02-19 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
8K37
 | | Structure of the bacteriophage lambda neck | | Descriptor: | Head-tail connector protein FII, Tail tube protein, Tail tube terminator protein | | Authors: | Xiao, H, Tan, L, Cheng, L.P, Liu, H.R. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
|
|
8K39
 | | Structure of the bacteriophage lambda portal vertex | | Descriptor: | Major capsid protein, Portal protein B | | Authors: | Xiao, H, Tan, L, Cheng, L.P, Liu, H.R. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
|
|
8K38
 | | The structure of bacteriophage lambda portal-adaptor | | Descriptor: | Head completion protein, Portal protein B | | Authors: | Xiao, H, Tan, L, Cheng, L.P, Liu, H.R. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
|
|
8K36
 | |
8K35
 | | Structure of the bacteriophage lambda tail tip complex | | Descriptor: | IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ... | | Authors: | Xiao, H, Tan, L, Cheng, L.P, Liu, H.R. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
|
|
4YO6
 | | Irak4-inhibitor co-structure | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Authors: | Fischmann, T.O. | | Deposit date: | 2015-03-11 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation.
Acs Med.Chem.Lett., 6, 2015
|
|
4YP8
 | | Irak4-inhibitor co-structure | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Authors: | Fischmann, T.O. | | Deposit date: | 2015-03-12 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.641 Å) | | Cite: | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation.
Acs Med.Chem.Lett., 6, 2015
|
|
6S9B
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide, Epidermal growth factor receptor | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
|
|
6S9C
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 5 | | Descriptor: | DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
|
|
6S9D
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 6 | | Descriptor: | 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one, DIMETHYL SULFOXIDE, Epidermal growth factor receptor | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
|
|
8SPZ
 | |
8SVK
 | |
8SPF
 | | Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ... | | Authors: | Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2023-05-03 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
|
|
8SRX
 | | Crystal structure of BAK-BAX heterodimer with lysoPC | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ... | | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | | Deposit date: | 2023-05-07 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
|
|
8SPE
 | | Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2023-05-03 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
|
|
8SRY
 | | Crystal structure of BAK-BAX heterodimer with C12E8 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ... | | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | | Deposit date: | 2023-05-08 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
|
|
8SQF
 | | OXA-48 bound to inhibitor CDD-2725 | | Descriptor: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2023-05-04 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
|
|
8SQG
 | | OXA-48 bound to inhibitor CDD-2801 | | Descriptor: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T. | | Deposit date: | 2023-05-04 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
|
|
7TJE
 | | Bacteriophage Q beta capsid protein A38K | | Descriptor: | Minor capsid protein A1 | | Authors: | Jin, X. | | Deposit date: | 2022-01-16 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Alternative Assembly of Q beta Virus-like Particles
To Be Published
|
|
7TJG
 | |
7TJM
 | |
7TJD
 | |
5ZBZ
 | | Crystal structure of the DEAD domain of Human eIF4A with sanguinarine | | Descriptor: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Eukaryotic initiation factor 4A-I, MALONATE ION | | Authors: | Ding, Y, Ding, L. | | Deposit date: | 2018-02-14 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.30860257 Å) | | Cite: | Targeting the N Terminus of eIF4AI for Inhibition of Its Catalytic Recycling.
Cell Chem Biol, 26, 2019
|
|
