6KEA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kea by Molmil](/molmil-images/mine/6kea) | crystal structure of MBP-tagged REV7-IpaB complex | Descriptor: | Maltose-binding periplasmic protein,LINKER,hREV7,LINKER,Invasin IpaB,hREV3 | Authors: | Wang, X, Pernicone, N, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W. | Deposit date: | 2019-07-04 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch. J.Biol.Chem., 294, 2019
|
|
6NZZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nzz by Molmil](/molmil-images/mine/6nzz) | LRRC8A-DCPIB in MSP1E3D1 nanodisc expanded state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid, Volume-regulated anion channel subunit LRRC8A | Authors: | Kern, D.M, Hite, R.K, Brohawn, S.G. | Deposit date: | 2019-02-14 | Release date: | 2019-02-27 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Cryo-EM structures of the DCPIB-inhibited volume-regulated anion channel LRRC8A in lipid nanodiscs. Elife, 8, 2019
|
|
6KKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kko by Molmil](/molmil-images/mine/6kko) | |
6KL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kl6 by Molmil](/molmil-images/mine/6kl6) | Crystal structure of MERS-CoV N-NTD complexed with 5-Benzyloxygramine | Descriptor: | N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine, Nucleoprotein | Authors: | Hou, M.H, Lin, S.M, Wang, Y.S, Hsu, J.N. | Deposit date: | 2019-07-29 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure-Based Stabilization of Non-native Protein-Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design. J.Med.Chem., 63, 2020
|
|
6K0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k0r by Molmil](/molmil-images/mine/6k0r) | Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E. | Deposit date: | 2019-05-07 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals. Sci Transl Med, 12, 2020
|
|
3R1P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r1p by Molmil](/molmil-images/mine/3r1p) | Odorant Binding Protein 7 from Anopheles gambiae with Four Disulfide Bridges, form P1 | Descriptor: | Odorant binding protein, antennal, PALMITIC ACID | Authors: | Lagarde, A, Spinelli, S, Tegoni, M, Field, L, He, X, Zhou, J.J, Cambillau, C. | Deposit date: | 2011-03-11 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Crystal Structure of Odorant Binding Protein 7 from Anopheles gambiae Exhibits an Outstanding Adaptability of Its Binding Site. J.Mol.Biol., 414, 2011
|
|
6KIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kiw by Molmil](/molmil-images/mine/6kiw) | Cryo-EM structure of human MLL3-ubNCP complex (4.0 angstrom) | Descriptor: | DNA (144-MER), DNA (145-MER), Histone H2A, ... | Authors: | Huang, J, Xue, H, Yao, T. | Deposit date: | 2019-07-20 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of nucleosome recognition and modification by MLL methyltransferases. Nature, 573, 2019
|
|
6K95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k95 by Molmil](/molmil-images/mine/6k95) | |
3SL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sl8 by Molmil](/molmil-images/mine/3sl8) | Crystal structure of the catalytic domain of PDE4D2 with compound 10o | Descriptor: | 1,2-ETHANEDIOL, 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate, DI(HYDROXYETHYL)ETHER, ... | Authors: | Feil, S.F. | Deposit date: | 2011-06-24 | Release date: | 2011-10-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3S6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s6p by Molmil](/molmil-images/mine/3s6p) | |
3SA9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sa9 by Molmil](/molmil-images/mine/3sa9) | Crystal structure of Wild-type HIV-1 protease in complex With AF68 | Descriptor: | ACETATE ION, N~2~-acetyl-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-L-isoleucinamide, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2011-06-02 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance To be Published
|
|
3SEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sec by Molmil](/molmil-images/mine/3sec) | |
3SI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3si0 by Molmil](/molmil-images/mine/3si0) | Structure of glycosylated human glutaminyl cyclase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutaminyl-peptide cyclotransferase, ... | Authors: | Parthier, C, Carrillo, D, Stubbs, M.T. | Deposit date: | 2011-06-17 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center. Biochemistry, 50, 2011
|
|
3TS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ts9 by Molmil](/molmil-images/mine/3ts9) | Crystal Structure of the MDA5 Helicase Insert Domain | Descriptor: | Interferon-induced helicase C domain-containing protein 1, SULFATE ION | Authors: | Berke, I.C, Modis, Y. | Deposit date: | 2011-09-12 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | MDA5 cooperatively forms dimers and ATP-sensitive filaments upon binding double-stranded RNA. Embo J., 31, 2012
|
|
3TMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tmz by Molmil](/molmil-images/mine/3tmz) | Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2011-09-01 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules. Biochemistry, 51, 2012
|
|
3R40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r40 by Molmil](/molmil-images/mine/3r40) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
|
|
3RGP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rgp by Molmil](/molmil-images/mine/3rgp) | |
3TG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tg8 by Molmil](/molmil-images/mine/3tg8) | Mutant ribosomal protein L1 lacking ala158 from thermus thermophilus | Descriptor: | 50S ribosomal protein L1, CHLORIDE ION, TETRAETHYLENE GLYCOL | Authors: | Gabdulkhakov, A.G, Nevskaya, N.A, Nikonov, S.V. | Deposit date: | 2011-08-17 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural analysis of interdomain mobility in ribosomal L1 proteins. Acta Crystallogr.,Sect.D, 67, 2011
|
|
3TK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tk3 by Molmil](/molmil-images/mine/3tk3) | Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. | Deposit date: | 2011-08-25 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8001 Å) | Cite: | Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme. Febs J., 279, 2012
|
|
3U4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u4w by Molmil](/molmil-images/mine/3u4w) | Src in complex with DNA-templated macrocyclic inhibitor MC4b | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ... | Authors: | Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M. | Deposit date: | 2011-10-10 | Release date: | 2012-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles. Nat.Chem.Biol., 8, 2012
|
|
3QD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qd8 by Molmil](/molmil-images/mine/3qd8) | Crystal structure of Mycobacterium tuberculosis BfrB | Descriptor: | Probable bacterioferritin BfrB | Authors: | Khare, G, Gupta, V, Nangpal, P, Gupta, R.K, Sauter, N.K, Tyagi, A.K. | Deposit date: | 2011-01-18 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Ferritin Structure from Mycobacterium tuberculosis: Comparative Study with Homologues Identifies Extended C-Terminus Involved in Ferroxidase Activity Plos One, 6, 2011
|
|
3QIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qil by Molmil](/molmil-images/mine/3qil) | |
3QOB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qob by Molmil](/molmil-images/mine/3qob) | |
3U8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u8i by Molmil](/molmil-images/mine/3u8i) | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | Deposit date: | 2011-10-17 | Release date: | 2012-10-17 | Last modified: | 2013-06-12 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes. J.Biol.Chem., 288, 2013
|
|
3U0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u0y by Molmil](/molmil-images/mine/3u0y) | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with compound 382 and UDP | Descriptor: | 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, GLYCEROL, Histo-blood group ABO system transferase, ... | Authors: | Palcic, M.M, Jorgensen, R. | Deposit date: | 2011-09-29 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding To be Published
|
|