6ZFT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zft by Molmil](/molmil-images/mine/6zft) | Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor CK-2-68 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2020-06-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials To Be Published
|
|
6WKL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wkl by Molmil](/molmil-images/mine/6wkl) | |
8PPT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ppt by Molmil](/molmil-images/mine/8ppt) | Pyrococcus abyssi DNA polymerase D (PolD) in its editing mode bound to a primer/template substrate containing a mismatch | Descriptor: | DNA (5'-D(P*AP*GP*CP*AP*CP*GP*GP*CP*TP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(P*CP*CP*GP*GP*GP*CP*CP*GP*AP*GP*CP*CP*GP*TP*GP*CP*TP*TP*T)-3'), DNA polymerase II small subunit, ... | Authors: | Betancurt-Anzola, L, Martinez-Carranza, M, Zatopek, K.M, Gardner, A.F, Sauguet, L. | Deposit date: | 2023-07-10 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular basis for proofreading by the unique exonuclease domain of Family-D DNA polymerases. Nat Commun, 14, 2023
|
|
5F47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f47 by Molmil](/molmil-images/mine/5f47) | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with trehalose | Descriptor: | CALCIUM ION, CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ... | Authors: | Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-03 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes. ACS Infect Dis, 3, 2017
|
|
8T1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t1h by Molmil](/molmil-images/mine/8t1h) | |
7QGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qgt by Molmil](/molmil-images/mine/7qgt) | Crystal structure of human cystathionine beta-synthase (delta516-525) in complex with AOAA. | Descriptor: | 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hutchin, A, Kopec, J, Majtan, T, Zuhra, K, Szabo, C. | Deposit date: | 2021-12-10 | Release date: | 2022-10-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.691 Å) | Cite: | H 2 S biogenesis by cystathionine beta-synthase: mechanism of inhibition by aminooxyacetic acid and unexpected role of serine. Cell.Mol.Life Sci., 79, 2022
|
|
5F4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f4t by Molmil](/molmil-images/mine/5f4t) | |
5WFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wfv by Molmil](/molmil-images/mine/5wfv) | Kelch domain of human Keap1 bound to Nrf2 ETGE peptide | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 ETGE peptide, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-12 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
|
|
6HFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hfu by Molmil](/molmil-images/mine/6hfu) | |
5EYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5eyx by Molmil](/molmil-images/mine/5eyx) | Monoclinic Form of Centrolobium tomentosum seed lectin (CTL) complexed with Man1-3Man-OMe. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Centrolobium tomentosum lectin, ... | Authors: | Almeida, A.C, Osterne, V.J.S, Santiago, M.Q, Pinto-Junior, V.R, Silva-Filho, J.C, Lossio, C.F, Almeida, R.P.H, Teixeira, C.S, Delatorre, P, Rocha, B.A.M, Santiago, K.S, Cavada, B.S. | Deposit date: | 2015-11-25 | Release date: | 2016-03-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity. Arch.Biochem.Biophys., 596, 2016
|
|
6D7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d7y by Molmil](/molmil-images/mine/6d7y) | 1.75 Angstrom Resolution Crystal Structure of the Toxic C-Terminal Tip of CdiA from Pseudomonas aeruginosa in Complex with Immune Protein | Descriptor: | Hemagglutinin, immune protein | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Allen, J.P, Hauser, A.R, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-25 | Release date: | 2019-05-01 | Last modified: | 2020-04-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A comparative genomics approach identifies contact-dependent growth inhibition as a virulence determinant. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
8FAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fax by Molmil](/molmil-images/mine/8fax) | Fab 1249A8-MERS Stem Helix Complex | Descriptor: | 1249A8-HC, 1249A8-LC, CHLORIDE ION, ... | Authors: | Deshpande, A, Schormann, N, Piepenbrink, M.S, Martinez-Sobrido, L, Kobie, J.J, Walter, M.R. | Deposit date: | 2022-11-28 | Release date: | 2023-05-03 | Last modified: | 2023-07-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and epitope of a neutralizing monoclonal antibody that targets the stem helix of beta coronaviruses. Febs J., 290, 2023
|
|
6R0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r0c by Molmil](/molmil-images/mine/6r0c) | Human-D02 Nucleosome Core Particle with biotin-streptavidin label | Descriptor: | DNA (142-MER), Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, ... | Authors: | Pye, V.E, Wilson, M.D, Cherepanov, P, Costa, A. | Deposit date: | 2019-03-12 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer. Nat Commun, 10, 2019
|
|
7TLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tll by Molmil](/molmil-images/mine/7tll) | Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332) | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. | Deposit date: | 2022-01-18 | Release date: | 2022-01-26 | Last modified: | 2022-06-15 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants. J.Biol.Chem., 298, 2022
|
|
6UAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uao by Molmil](/molmil-images/mine/6uao) | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J. | Deposit date: | 2019-09-11 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
|
|
4XOJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xoj by Molmil](/molmil-images/mine/4xoj) | Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1) | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, CALCIUM ION, ... | Authors: | Golik, P, Malicki, S, Grudnik, P, Karna, N, Debowski, D, Legowska, A, Wladyka, B, Gitlin, A, Brzozowski, K, Dubin, G, Rolka, K. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | Investigation of Serine-Proteinase-Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI-1). Chembiochem, 16, 2015
|
|
6QWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qwq by Molmil](/molmil-images/mine/6qwq) | Structure of gtPebB | Descriptor: | Ferredoxin bilin reductase plastid, SULFATE ION | Authors: | Sommerkamp, J.A, Hofmann, E. | Deposit date: | 2019-03-06 | Release date: | 2019-08-07 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the first eukaryotic bilin reductaseGtPEBB reveals a flipped binding mode of dihydrobiliverdin. J.Biol.Chem., 294, 2019
|
|
5WRT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wrt by Molmil](/molmil-images/mine/5wrt) | |
7ZJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zj3 by Molmil](/molmil-images/mine/7zj3) | Structure of TRIM2 RING domain in complex with UBE2D1~Ub conjugate | Descriptor: | Polyubiquitin-C, Tripartite motif-containing protein 2, Ubiquitin-conjugating enzyme E2 D1, ... | Authors: | Esposito, D, Garza-Garcia, A, Dudley-Fraser, J, Rittinger, K. | Deposit date: | 2022-04-08 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Divergent self-association properties of paralogous proteins TRIM2 and TRIM3 regulate their E3 ligase activity. Nat Commun, 13, 2022
|
|
6HI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hi5 by Molmil](/molmil-images/mine/6hi5) | The ATAD2 bromodomain in complex with compound 8 | Descriptor: | (2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2018-08-29 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
|
|
6D9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d9s by Molmil](/molmil-images/mine/6d9s) | The (p)ppGpp-bound crystal structure of HPRT (hypoxanthine phosphoribosyltransferase) | Descriptor: | DI(HYDROXYETHYL)ETHER, GUANOSINE-5',3'-TETRAPHOSPHATE, Hypoxanthine phosphoribosyltransferase, ... | Authors: | Satyshur, K.A, Dubiel, K, Anderson, B, Wolak, C, Keck, J.L. | Deposit date: | 2018-04-30 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Evolution of (p)ppGpp-HPRT regulation through diversification of an allosteric oligomeric interaction. Elife, 8, 2019
|
|
6HES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hes by Molmil](/molmil-images/mine/6hes) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT050 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-08-20 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.128 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
|
|
4QA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qa7 by Molmil](/molmil-images/mine/4qa7) | Crystal structure of H334R/Y306F HDAC8 in complex with a tetrapeptide substrate | Descriptor: | 7-AMINO-4-METHYL-CHROMEN-2-ONE, GLYCEROL, Histone deacetylase 8, ... | Authors: | Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | Deposit date: | 2014-05-02 | Release date: | 2014-08-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders. Acs Chem.Biol., 9, 2014
|
|
6HIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hix by Molmil](/molmil-images/mine/6hix) | Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the large mitoribosomal subunit | Descriptor: | 12S rRNA, 50S ribosomal protein L13, putative, ... | Authors: | Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, K, Leitner, A, Boehringer, D, Schneider, A, Ban, N. | Deposit date: | 2018-08-31 | Release date: | 2018-09-26 | Last modified: | 2019-02-06 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes. Science, 362, 2018
|
|
6R0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r0l by Molmil](/molmil-images/mine/6r0l) | |