8D1Y
 
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7T4J
 | | Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | | Authors: | Skene, R.J, Lane, W, Hu, Y. | | Deposit date: | 2021-12-10 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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7OCP
 | | NADPH bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Tam, H.K, Mueller, V, Pos, K.M. | | Deposit date: | 2021-04-28 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7O83
 | | KRasG12C ligand complex | | Descriptor: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Phillips, C, Breed, J. | | Deposit date: | 2021-04-14 | | Release date: | 2022-04-20 | | Last modified: | 2022-05-25 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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6MFZ
 | | Crystal structure of dimodular LgrA in a condensation state | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A | | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | | Deposit date: | 2018-09-12 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
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7T0T
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-10562 | | Descriptor: | DIMETHYL SULFOXIDE, Isoform 2 of B-cell lymphoma 6 protein, N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-11-30 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the BCL6 BTB domain in complex with OICR-10562
To Be Published
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6UUO
 | | Crystal structure of BRAF kinase domain bound to the PROTAC P4B | | Descriptor: | N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F. | | Deposit date: | 2019-10-30 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.288 Å) | | Cite: | Functional characterization of a PROTAC directed against BRAF mutant V600E.
Nat.Chem.Biol., 16, 2020
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6PCB
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8CXK
 | | Structure of the C. elegans HIM-3 R93Y mutant | | Descriptor: | HORMA domain-containing protein | | Authors: | Ego, K.M, Russo, A, Giacopazzi, S, Deshong, A, Menon, M, Ortiz, V, Bhalla, N, Corbett, K.D. | | Deposit date: | 2022-05-21 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The conserved AAA ATPase PCH-2 distributes its regulation of meiotic prophase events through multiple meiotic HORMADs in C. elegans.
Plos Genet., 19, 2023
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7OCT
 | | NADPH bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-N374A from Acinetobacter baumannii | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Tam, H.K, Mueller, V, Pos, K.M. | | Deposit date: | 2021-04-28 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6PG2
 | | Crystal Structure of EcDsbA in a complex with unpurified reaction product H5 (morpholine 8) | | Descriptor: | 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-23 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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8PP5
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6AXO
 | | F96S Epi-isozizaene synthase | | Descriptor: | Epi-isozizaene synthase | | Authors: | Blank, P.N, Barrow, G.H, Christianson, D.W. | | Deposit date: | 2017-09-07 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes.
Biochemistry, 56, 2017
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8D7M
 | | Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide | | Descriptor: | Casein kinase I isoform delta, Period circadian protein homolog 2 peptide | | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | | Deposit date: | 2022-06-07 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
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6PGC
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6UUT
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7OCS
 | | Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-D16A from Acinetobacter baumannii | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Tam, H.K, Mueller, V, Pos, K.M. | | Deposit date: | 2021-04-28 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6AXT
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8POF
 | | The crystal structure of RsSymEG1 reveals a unique form of smaller GH7 endoglucanases alongside GH7 cellobiohydrolases in protist symbionts of termites | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative glycosyl hydrolase family7, SODIUM ION | | Authors: | Haataja, T, Sandgren, M, Hansson, H, Stahlberg, J. | | Deposit date: | 2023-07-04 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The crystal structure of RsSymEG1 reveals a unique form of smaller GH7 endoglucanases alongside GH7 cellobiohydrolases in protist symbionts of termites.
Febs J., 291, 2024
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7T5J
 | | Crystal Structure of Strictosidine Synthase in complex with S-IPA (2-(1H-indol-3-yl) propan-1-amine) | | Descriptor: | (2S)-2-(1H-indol-3-yl)propan-1-amine, Strictosidine synthase | | Authors: | Liu, H, Panjikar, S, Futamura, Y, Shao, N, Osada, H, Zou, H. | | Deposit date: | 2021-12-12 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | beta-Branched Tryptamine Provoked Non Sandwich-Like-Mode Catalysis of Strictosidine Synthase to Antimalarial Indole Alkaloids
to be published
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7T34
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5C5K
 | | Structure of the Pfr form of a canonical phytochrome | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BILIVERDINE IX ALPHA, ... | | Authors: | Burgie, E.S, Vierstra, R.D. | | Deposit date: | 2015-06-20 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Crystal Structure of Deinococcus Phytochrome in the Photoactivated State Reveals a Cascade of Structural Rearrangements during Photoconversion.
Structure, 24, 2016
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8D7O
 | | Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide | | Descriptor: | Casein kinase I isoform delta, Period circadian protein homolog 2 peptide | | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | | Deposit date: | 2022-06-07 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
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7OB6
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8D7P
 | | Human Casein kinase 1 delta in complex with phosphorylated Drosophila PERIOD peptide | | Descriptor: | Casein kinase I isoform delta, Period circadian protein peptide | | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | | Deposit date: | 2022-06-07 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
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