6P9S
 
 | | E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 7 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Ma, X, Shia, S, Ornelas, E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
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6P9Q
 | | E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Ma, X, Shia, S, Ornelas, E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
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6WE5
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6WSA
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6WSB
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7KZF
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6N0Q
 | | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | | Descriptor: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-11-07 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
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6OK4
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5BT9
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5TS9
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5TGD
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3R20
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7RGR
 | | Lysozyme 056 from Deep neural language modeling | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Artificial protein L056, CHLORIDE ION | | Authors: | Fraser, J.S, Holton, J.M, Olmos Jr, J.L, Greene, E.R. | | Deposit date: | 2021-07-15 | | Release date: | 2021-07-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Large language models generate functional protein sequences across diverse families.
Nat.Biotechnol., 2023
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7TMF
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6B8J
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6B1Z
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6BRL
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7XKY
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5DNI
 | | Crystal structure of Methanocaldococcus jannaschii Fumarate hydratase beta subunit | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Jayaraman, V, Kunala, J, Balaram, H. | | Deposit date: | 2015-09-10 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Revisiting the Burden Borne by Fumarase: Enzymatic Hydration of an Olefin.
Biochemistry, 62, 2023
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5LS6
 | | Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor | | Descriptor: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ... | | Authors: | Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S. | | Deposit date: | 2016-08-22 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.47 Å) | | Cite: | Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
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5VHD
 | | DHX36 with an N-terminal truncation bound to ADP-AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DEAH (Asp-Glu-Ala-His) box polypeptide 36, TETRAFLUOROALUMINATE ION | | Authors: | Chen, M, Ferre-D'Amare, A. | | Deposit date: | 2017-04-13 | | Release date: | 2018-06-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
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5VHA
 | | DHX36 with an N-terminal truncation | | Descriptor: | DEAH (Asp-Glu-Ala-His) box polypeptide 36 | | Authors: | Chen, M, Ferre-D'Amare, A. | | Deposit date: | 2017-04-12 | | Release date: | 2018-06-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.227 Å) | | Cite: | Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
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7D40
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7D95
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5VHE
 | | DHX36 in complex with the c-Myc G-quadruplex | | Descriptor: | DEAH (Asp-Glu-Ala-His) box polypeptide 36, DNA (5'-D(*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*TP*TP*TP*TP*TP*T)-3'), POTASSIUM ION | | Authors: | Chen, M, Ferre-D'Amare, A. | | Deposit date: | 2017-04-13 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.793 Å) | | Cite: | Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
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