9MGQ
 
 | | Crystal structure of PRMT5:MEP50 in complex with sinefungin and compound 47 | | Descriptor: | 1,2-ETHANEDIOL, 2-(cyclobutylamino)-N-{(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl}pyridine-4-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Whittington, D.A. | | Deposit date: | 2024-12-11 | | Release date: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
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9MGL
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9MGP
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5JPL
 | | LP2006, a handcuff-topology lasso peptide antibiotic | | Descriptor: | Uncharacterized protein | | Authors: | Tietz, J.I, Schwalen, C.J, Blair, P.M, Zakai, U.I, Mitchell, D.A. | | Deposit date: | 2016-05-03 | | Release date: | 2017-03-01 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | A new genome-mining tool redefines the lasso peptide biosynthetic landscape.
Nat. Chem. Biol., 13, 2017
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2DD7
 | | A GFP-like protein from marine copepod, Chiridius poppei | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, green fluorescent protein | | Authors: | Suto, K, Masuda, H, Takenaka, Y, Mizuno, H. | | Deposit date: | 2006-01-23 | | Release date: | 2007-01-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for red-shifted emission of a GFP-like protein from the marine copepod Chiridius poppei
Genes Cells, 14, 2009
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6TNS
 | | PI3K delta in complex with 2methoxyN[2methoxy5(7{[(2R)4(oxetan3 yl)morpholin2yl]methoxy}1,3dihydro2 benzofuran5yl)pyridin3yl]ethane1 sulfonamide | | Descriptor: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | | Deposit date: | 2019-12-10 | | Release date: | 2020-01-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target.
J.Med.Chem., 63, 2020
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2DD9
 | | A mutant of GFP-like protein from Chiridius poppei | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, green fluorescent protein | | Authors: | Suto, K, Masuda, H, Takenaka, Y, Mizuno, H. | | Deposit date: | 2006-01-24 | | Release date: | 2007-01-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for red-shifted emission of a GFP-like protein from the marine copepod Chiridius poppei
Genes Cells, 14, 2009
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6TRE
 | | Structure of the RBM3/collar region of the Salmonella flagella MS-ring protein FliF with 32-fold symmetry applied | | Descriptor: | Flagellar M-ring protein | | Authors: | Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M. | | Deposit date: | 2019-12-18 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of the bacterial flagellar rotor MS-ring: a minimum inventory/maximum diversity system.
To Be Published
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6TNR
 | | PI3K delta in complex with N[5(7{2[4(2hydroxypropan2yl)piperidin1 yl]ethoxy}1,3dihydro2benzofuran5yl)2 methoxypyridin3yl]methanesulfonamide | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide | | Authors: | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | | Deposit date: | 2019-12-10 | | Release date: | 2020-01-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target.
J.Med.Chem., 63, 2020
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7RRO
 | | Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia | | Descriptor: | Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ... | | Authors: | Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A. | | Deposit date: | 2021-08-10 | | Release date: | 2021-10-27 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
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5C01
 | | Crystal Structure of kinase | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2, ... | | Authors: | Min, X, Wang, Z, Walker, N. | | Deposit date: | 2015-06-12 | | Release date: | 2015-09-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and Functional Characterization of the JH2 Pseudokinase Domain of JAK Family Tyrosine Kinase 2 (TYK2).
J.Biol.Chem., 290, 2015
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5C03
 | | Crystal Structure of kinase | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Min, X, Wang, Z, Walker, N. | | Deposit date: | 2015-06-12 | | Release date: | 2015-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Characterization of the JH2 Pseudokinase Domain of JAK Family Tyrosine Kinase 2 (TYK2).
J.Biol.Chem., 290, 2015
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9N9Y
 | | Crystal structure of truncated USP1:UAF1 in complex with compound 18 | | Descriptor: | 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-5H-pyrrolo[3,2-d]pyrimidine, Ubiquitin carboxyl-terminal hydrolase 1, N-terminal fragment,Ubiquitin carboxyl-terminal hydrolase 1, ... | | Authors: | Whittington, D.A. | | Deposit date: | 2025-02-11 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Discovery of TNG-6132, a potent, selective, and orally bioavailable USP1 inhibitor.
Bioorg.Med.Chem.Lett., 124, 2025
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4Q1U
 | | Serum paraoxonase-1 by directed evolution with the K192Q mutation | | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2014-04-04 | | Release date: | 2015-02-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Catalytic stimulation by restrained active-site floppiness-the case of high density lipoprotein-bound serum paraoxonase-1.
J.Mol.Biol., 427, 2015
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1EIC
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8VEY
 | | Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908 | | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... | | Authors: | Whittington, D.A. | | Deposit date: | 2023-12-20 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
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8VEU
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8VET
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8VEX
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8VEW
 | | Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24 | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ... | | Authors: | Whittington, D.A. | | Deposit date: | 2023-12-20 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
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1CTI
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1EIE
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1EID
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4E4L
 | | JAK1 kinase (JH1 domain) in complex with compound 30 | | Descriptor: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | | Authors: | Eigenbrot, C. | | Deposit date: | 2012-03-13 | | Release date: | 2012-05-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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4E4M
 | | JAK2 kinase (JH1 domain) in complex with compound 30 | | Descriptor: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | | Authors: | Eigenbrot, C. | | Deposit date: | 2012-03-13 | | Release date: | 2012-05-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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