6P9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p9s by Molmil](/molmil-images/mine/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
|
|
6P9Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p9q by Molmil](/molmil-images/mine/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
|
|
6WE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6we5 by Molmil](/molmil-images/mine/6we5) | |
6WSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wsa by Molmil](/molmil-images/mine/6wsa) | |
6WSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wsb by Molmil](/molmil-images/mine/6wsb) | |
7KZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kzf by Molmil](/molmil-images/mine/7kzf) | |
6N0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n0q by Molmil](/molmil-images/mine/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
|
|
6OK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ok4 by Molmil](/molmil-images/mine/6ok4) | |
5BT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bt9 by Molmil](/molmil-images/mine/5bt9) | |
5TS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ts9 by Molmil](/molmil-images/mine/5ts9) | |
5TGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tgd by Molmil](/molmil-images/mine/5tgd) | |
3R20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r20 by Molmil](/molmil-images/mine/3r20) | |
7RGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rgr by Molmil](/molmil-images/mine/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
|
|
7TMF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tmf by Molmil](/molmil-images/mine/7tmf) | |
6B8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b8j by Molmil](/molmil-images/mine/6b8j) | |
6B1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b1z by Molmil](/molmil-images/mine/6b1z) | |
6BRL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6brl by Molmil](/molmil-images/mine/6brl) | |
7XKY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xky by Molmil](/molmil-images/mine/7xky) | |
5DNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dni by Molmil](/molmil-images/mine/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
|
|
5LS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ls6 by Molmil](/molmil-images/mine/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
|
|
5VHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vhd by Molmil](/molmil-images/mine/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
|
|
5VHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vha by Molmil](/molmil-images/mine/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
|
|
7D40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d40 by Molmil](/molmil-images/mine/7d40) | |
7D95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d95 by Molmil](/molmil-images/mine/7d95) | |
5VHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vhe by Molmil](/molmil-images/mine/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
|
|