2NN2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nn2 by Molmil](/molmil-images/mine/2nn2) | |
6HRX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hrx by Molmil](/molmil-images/mine/6hrx) | EthR2 in complex with compound 2 (BDM72201) | Descriptor: | 8-propan-2-ylsulfanyl-7~{H}-purin-6-amine, Probable transcriptional regulatory protein | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | Deposit date: | 2018-09-28 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
|
|
5H5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h5u by Molmil](/molmil-images/mine/5h5u) | Mechanistic insights into the alternative translation termination by ArfA and RF2 | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Ma, C, Kurita, D, Li, N, Chen, Y, Himeno, H, Gao, N. | Deposit date: | 2016-11-09 | Release date: | 2017-01-25 | Last modified: | 2018-10-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanistic insights into the alternative translation termination by ArfA and RF2 Nature, 541, 2017
|
|
6GYG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gyg by Molmil](/molmil-images/mine/6gyg) | |
6HRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hry by Molmil](/molmil-images/mine/6hry) | EthR2 in complex with compound 3 (BDM72719) | Descriptor: | 1-(6-methylpyridin-2-yl)-3-propyl-urea, Probable transcriptional regulatory protein | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | Deposit date: | 2018-09-28 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
|
|
8Q9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q9r by Molmil](/molmil-images/mine/8q9r) | Crystal structure of MADS-box/MEF2D N-terminal domain bound to dsDNA and HDAC9 deacetylase binding motif | Descriptor: | Histone deacetylase 9 (HDAC9) binding motif peptide: EVKQKLQEFLLSKS, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGT, ... | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-08-20 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
|
|
3MEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mex by Molmil](/molmil-images/mine/3mex) | Crystal structure of MexR in oxidized state | Descriptor: | Multidrug resistance operon repressor | Authors: | Chen, H, Yi, C, Zhang, J, Zhang, W, Yang, C.-G, He, C. | Deposit date: | 2010-04-01 | Release date: | 2010-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insight into the oxidation-sensing mechanism of the antibiotic resistance of regulator MexR Embo Rep., 11, 2010
|
|
5L3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l3e by Molmil](/molmil-images/mine/5l3e) | LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine, ... | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | Deposit date: | 2016-04-10 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
|
|
5L3G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l3g by Molmil](/molmil-images/mine/5l3g) | LSD1-CoREST1 in complex with polymyxin E (colistin) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | Deposit date: | 2016-04-10 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
|
|
5LBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lbq by Molmil](/molmil-images/mine/5lbq) | LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine, ... | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | Deposit date: | 2016-06-16 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
|
|
7PZY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pzy by Molmil](/molmil-images/mine/7pzy) | Structure of the vacant Candida albicans 80S ribosome | Descriptor: | 1,4-DIAMINOBUTANE, 18S ribosomal RNA, 25S ribosomal RNA, ... | Authors: | Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | Deposit date: | 2021-10-13 | Release date: | 2022-05-18 | Last modified: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (2.32 Å) | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome. Sci Adv, 8, 2022
|
|
7Q0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0p by Molmil](/molmil-images/mine/7q0p) | Structure of the Candida albicans 80S ribosome in complex with anisomycin | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ... | Authors: | Kolosova, O, Zgadzay, Y, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | Deposit date: | 2021-10-15 | Release date: | 2022-05-18 | Last modified: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome. Sci Adv, 8, 2022
|
|
7Q0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0f by Molmil](/molmil-images/mine/7q0f) | Structure of Candida albicans 80S ribosome in complex with phyllanthoside | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ... | Authors: | Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | Deposit date: | 2021-10-14 | Release date: | 2022-05-18 | Last modified: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome. Sci Adv, 8, 2022
|
|
7Q08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q08 by Molmil](/molmil-images/mine/7q08) | Structure of Candida albicans 80S ribosome in complex with cycloheximide | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | Deposit date: | 2021-10-14 | Release date: | 2022-05-25 | Last modified: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome. Sci Adv, 8, 2022
|
|
7Q0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0r by Molmil](/molmil-images/mine/7q0r) | Structure of the Candida albicans 80S ribosome in complex with blasticidin s | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ... | Authors: | Kolosova, O, Zgadzay, Y, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | Deposit date: | 2021-10-16 | Release date: | 2022-05-25 | Last modified: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome. Sci Adv, 8, 2022
|
|
3Q76
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q76 by Molmil](/molmil-images/mine/3q76) | Structure of human neutrophil elastase (uncomplexed) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, ... | Authors: | Hansen, G, Niefind, K. | Deposit date: | 2011-01-04 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Unexpected active-site flexibility in the structure of human neutrophil elastase in complex with a new dihydropyrimidone inhibitor. J.Mol.Biol., 409, 2011
|
|
7AGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7agh by Molmil](/molmil-images/mine/7agh) | |
7AG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ag4 by Molmil](/molmil-images/mine/7ag4) | |
7AG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ag6 by Molmil](/molmil-images/mine/7ag6) | |
7AGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7agk by Molmil](/molmil-images/mine/7agk) | Crystal structure of E. coli SF kinase (YihV) in complex with product sulfofructose phosphate (SFP) | Descriptor: | Sulfofructose kinase, [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2020-09-22 | Release date: | 2021-04-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis. Acs Cent.Sci., 7, 2021
|
|
5UA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ua2 by Molmil](/molmil-images/mine/5ua2) | Mycobacterium tuberculosis KstR in complex with a 26-bp DNA operator | Descriptor: | DNA (5'-D(P*AP*CP*TP*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*GP*TP*TP*CP*TP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*AP*CP*TP*AP*GP*AP*AP*CP*GP*TP*GP*TP*TP*CP*TP*AP*AP*TP*AP*GP*T)-3'), HTH-type transcriptional repressor KstR, ... | Authors: | Ho, N.A.T, Dawes, S.S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2016-12-18 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9002 Å) | Cite: | Crystal structure of KstR in complex with cognate DNA operator To Be Published
|
|
5UA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ua1 by Molmil](/molmil-images/mine/5ua1) | Mycobacterium tuberculosis KstR in complex with a 18-bp DNA operator | Descriptor: | DNA (5'-D(*AP*CP*TP*AP*GP*AP*AP*CP*GP*TP*GP*TP*TP*CP*TP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*GP*TP*TP*CP*TP*AP*GP*T)-3'), HTH-type transcriptional repressor KstR, ... | Authors: | Ho, N.A.T, Dawes, S.S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2016-12-18 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of KstR in complex with cognate DNA operator To Be Published
|
|
5TMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tmx by Molmil](/molmil-images/mine/5tmx) | Solution Structure of SinI, antagonist to the master biofilm-regulator SinR in Bacillus subtilis | Descriptor: | Protein SinI | Authors: | Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J. | Deposit date: | 2016-10-13 | Release date: | 2017-10-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis. J.Mol.Biol., 2019
|
|
3Q77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q77 by Molmil](/molmil-images/mine/3q77) | Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ... | Authors: | Hansen, G, Niefind, K. | Deposit date: | 2011-01-04 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Unexpected active-site flexibility in the structure of human neutrophil elastase in complex with a new dihydropyrimidone inhibitor. J.Mol.Biol., 409, 2011
|
|
8I60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i60 by Molmil](/molmil-images/mine/8i60) | |