5CX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cx8 by Molmil](/molmil-images/mine/5cx8) | Structure of RagB, a major immunodominant virulence factor of Porphyromonas gingivalis. | Descriptor: | 3-deoxy-5-O-phosphono-beta-D-ribofuranose, 3-deoxy-beta-D-glucopyranose, 6-O-phosphono-D-tagatose, ... | Authors: | Goulas, T, Garcia-Ferrer, I, Hutcherson, J.A, Potempa, B.A, Potempa, J, Scott, D.A, Gomis-Ruth, F.X. | Deposit date: | 2015-07-28 | Release date: | 2015-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of RagB, a major immunodominant outer-membrane surface receptor antigen of Porphyromonas gingivalis. Mol Oral Microbiol, 31, 2016
|
|
6V4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v4t by Molmil](/molmil-images/mine/6v4t) | MPER-TMD of HIV-1 Env bound with the entry inhibitor S2C3 | Descriptor: | 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium), Envelope glycoprotein gp160 | Authors: | Xiao, T, Frey, G, Fu, Q, Lavine, C.L, Scott, D.A, Seaman, M.S, Chou, J.J, Chen, B. | Deposit date: | 2019-11-30 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | HIV-1 fusion inhibitors targeting the membrane-proximal external region of Env spikes. Nat.Chem.Biol., 16, 2020
|
|
5ECE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ece by Molmil](/molmil-images/mine/5ece) | Tankyrase 1 with Phthalazinone 1 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | Authors: | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | Deposit date: | 2015-10-20 | Release date: | 2015-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
|
|
7LG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lg8 by Molmil](/molmil-images/mine/7lg8) | EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor | Authors: | Beyett, T.S, Eck, M.J. | Deposit date: | 2021-01-19 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors. Nat Commun, 13, 2022
|
|
7LTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ltx by Molmil](/molmil-images/mine/7ltx) | EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor | Descriptor: | (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Beyett, T.S, Eck, M.J. | Deposit date: | 2021-02-20 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Quinazolinones as allosteric fourth-generation EGFR inhibitors for the treatment of NSCLC. Bioorg.Med.Chem.Lett., 68, 2022
|
|
7V94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v94 by Molmil](/molmil-images/mine/7v94) | Cryo-EM structure of the Cas12c2-sgRNA-target DNA ternary complex | Descriptor: | Cas12c2, sgRNA, target DNA (non target strand), ... | Authors: | Kurihara, N, Hirano, H, Tomita, A, Kobayashi, K, Kusakizako, T, Nishizawa, T, Yamashita, K, Nishimasu, H, Nureki, O. | Deposit date: | 2021-08-24 | Release date: | 2022-04-13 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the type V-C CRISPR-Cas effector enzyme. Mol.Cell, 82, 2022
|
|
7V93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v93 by Molmil](/molmil-images/mine/7v93) | Cryo-EM structure of the Cas12c2-sgRNA binary complex | Descriptor: | cas12c2, sgRNA | Authors: | Kurihara, N, Hirano, H, Tomita, A, Kobayashi, K, Kusakizako, T, Nishizawa, T, Yamashita, K, Nishimasu, H, Nureki, O. | Deposit date: | 2021-08-24 | Release date: | 2022-04-13 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the type V-C CRISPR-Cas effector enzyme. Mol.Cell, 82, 2022
|
|
8A09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a09 by Molmil](/molmil-images/mine/8a09) | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4 | Descriptor: | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4, GLYCEROL | Authors: | Martin, F.J.O, Rhys, G.G, Dawson, W.M, Woolfson, D.N. | Deposit date: | 2022-05-27 | Release date: | 2022-06-15 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
|
|
7NFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nfj by Molmil](/molmil-images/mine/7nfj) | |
7NFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nfl by Molmil](/molmil-images/mine/7nfl) | |
7NFO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nfo by Molmil](/molmil-images/mine/7nfo) | |
7NFF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nff by Molmil](/molmil-images/mine/7nff) | An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24A. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-(LaId)4-I24A, GLYCEROL | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
|
|
7NFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nfm by Molmil](/molmil-images/mine/7nfm) | |
7NFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nfi by Molmil](/molmil-images/mine/7nfi) | |
7NFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nfp by Molmil](/molmil-images/mine/7nfp) | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K | Descriptor: | CC-Type2-(LaId)4-I17K, GLYCEROL | Authors: | Burton, A.J, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
|
|
7NFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nfk by Molmil](/molmil-images/mine/7nfk) | An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S. | Descriptor: | CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
|
|
7NFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nfg by Molmil](/molmil-images/mine/7nfg) | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
|
|
7NFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nfh by Molmil](/molmil-images/mine/7nfh) | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4 | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
|
|
7NFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nfn by Molmil](/molmil-images/mine/7nfn) | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21N-I24N. | Descriptor: | CC-Type2-(LaId)4-L21N-I24N, HEXANE-1,6-DIOL | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
|
|
8QAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qaa by Molmil](/molmil-images/mine/8qaa) | |
8QAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qae by Molmil](/molmil-images/mine/8qae) | |
8QAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qag by Molmil](/molmil-images/mine/8qag) | |
8QAH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qah by Molmil](/molmil-images/mine/8qah) | |
8QAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qab by Molmil](/molmil-images/mine/8qab) | X-ray crystal structure of a de novo designed antiparallel coiled-coil hexameric alpha-helical barrel with 4 heptad repeats, apCCHex | Descriptor: | 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane, apCCHex | Authors: | Naudin, E.N, Albanese, K.I, Petrenas, R, Woolfson, D.N. | Deposit date: | 2023-08-22 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rationally seeded computational protein design of ɑ-helical barrels. Nat.Chem.Biol., 2024
|
|
8QAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qad by Molmil](/molmil-images/mine/8qad) | |