7P2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p2n by Molmil](/molmil-images/mine/7p2n) | E.coli GyrB24 with inhibitor LSJ38 (EBL2684) | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens. Acs Omega, 8, 2023
|
|
6O4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o4i by Molmil](/molmil-images/mine/6o4i) | Structure of ALDH7A1 mutant E399D complexed with alpha-aminoadipate | Descriptor: | 1,2-ETHANEDIOL, 2-AMINOHEXANEDIOIC ACID, Alpha-aminoadipic semialdehyde dehydrogenase | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | Deposit date: | 2019-02-28 | Release date: | 2019-11-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy. J. Inherit. Metab. Dis., 43, 2020
|
|
6ZV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zv5 by Molmil](/molmil-images/mine/6zv5) | CML1 crystal structure in complex with Lewis a tetrasaccharide | Descriptor: | Mucin-binding lectin 1, SULFATE ION, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Varrot, A, Bleuler-Martinez, S. | Deposit date: | 2020-07-24 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity. Glycobiology, 32, 2022
|
|
6ZUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zuc by Molmil](/molmil-images/mine/6zuc) | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-Lig1-HAB1 TERNARY COMPLEX | Descriptor: | 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide, CHLORIDE ION, CSPYL1, ... | Authors: | Albert, A, Infantes, L, Benavente, J.L. | Deposit date: | 2020-07-22 | Release date: | 2021-08-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv, 9, 2023
|
|
6QUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qul by Molmil](/molmil-images/mine/6qul) | Structure of a bacterial 50S ribosomal subunit in complex with the novel quinoxolidinone antibiotic cadazolid | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Scaiola, A, Leibundgut, M, Boehringer, D, Ritz, D. | Deposit date: | 2019-02-27 | Release date: | 2019-04-10 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of translation inhibition by cadazolid, a novel quinoxolidinone antibiotic. Sci Rep, 9, 2019
|
|
6WPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wpm by Molmil](/molmil-images/mine/6wpm) | Crystal structure of a putative oligosaccharide periplasmic-binding protein from Synechococcus sp. MITs9220 in complex with zinc | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | Authors: | Ford, B.A, Michie, K.A, Paulsen, I.T, Mabbutt, B.C, Shah, B.S. | Deposit date: | 2020-04-27 | Release date: | 2021-05-12 | Last modified: | 2022-04-27 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Novel functional insights into a modified sugar-binding protein from Synechococcus MITS9220. Sci Rep, 12, 2022
|
|
7ABS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7abs by Molmil](/molmil-images/mine/7abs) | Structure of human DCLRE1C/Artemis in complex with DNA - re-evaluation of 6WO0 | Descriptor: | DNA (5'-D(*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*GP*CP*T)-3'), Protein artemis, ... | Authors: | Newman, J.A, Yosaatmadja, Y, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-08 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
|
|
6ZYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zyt by Molmil](/molmil-images/mine/6zyt) | Monomeric streptavidin with a conjugated biotinylated pyrrolidine | Descriptor: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, SULFATE ION, Streptavidin/Rhizavidin Hybrid | Authors: | Nodling, A.R, Lipka-Lloyd, M, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y. | Deposit date: | 2020-08-03 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The role of streptavidin and its variants in catalysis by biotinylated secondary amines. Org.Biomol.Chem., 19, 2021
|
|
6OC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oc1 by Molmil](/molmil-images/mine/6oc1) | Crystal structure of human DHODH with TAK-632 | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Durst, M.A, Lavie, A. | Deposit date: | 2019-03-21 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism. Cell Chem Biol, 27, 2020
|
|
4RZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rza by Molmil](/molmil-images/mine/4rza) | Pre-mRNA-splicing factor 38A AS 1-205 | Descriptor: | Pre-mRNA-splicing factor 38A | Authors: | Schuetze, T, Ulrich, A, Wahl, M.C. | Deposit date: | 2014-12-19 | Release date: | 2015-12-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The N-terminal domain of the unusual SR protein hPrp38 is an interaction hub in the spliceosome To be Published
|
|
6ZZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zz4 by Molmil](/molmil-images/mine/6zz4) | Crystal structure of the PTPN2 C216G mutant | Descriptor: | PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 2 | Authors: | Mechaly, A.E, Berthelet, J, Nian, Q, Parlato, M, Cerf-Bensussan, N, Haouz, A, Rodrigues-Lima, F. | Deposit date: | 2020-08-03 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural characterization of a pathogenic mutant of human protein tyrosine phosphatase PTPN2 (Cys216Gly) that causes very early onset autoimmune enteropathy. Protein Sci., 31, 2022
|
|
8BLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8blp by Molmil](/molmil-images/mine/8blp) | Human Urea Transporter UT-B/UT1 in Complex with Inhibitor UTBinh-14 | Descriptor: | 10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Chi, G, Dietz, L, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, Scacioc, A, McKinley, G, Arrowsmith, C.H, Edwards, A, Bountra, C, Fernandez-Cid, A, Burgess-Brown, N.A, Duerr, K.L. | Deposit date: | 2022-11-10 | Release date: | 2023-10-04 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural characterization of human urea transporters UT-A and UT-B and their inhibition. Sci Adv, 9, 2023
|
|
6OQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oqu by Molmil](/molmil-images/mine/6oqu) | E. coli ATP synthase State 1d | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2019-04-29 | Release date: | 2020-06-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
|
|
7P55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p55 by Molmil](/molmil-images/mine/7p55) | |
8SS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ss3 by Molmil](/molmil-images/mine/8ss3) | Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK and channel blocker spermidine (closed state) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, Digitonin, ... | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | Deposit date: | 2023-05-08 | Release date: | 2023-09-06 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2. Nat.Struct.Mol.Biol., 30, 2023
|
|
7NB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nb5 by Molmil](/molmil-images/mine/7nb5) | |
7NE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ne4 by Molmil](/molmil-images/mine/7ne4) | E125A mutant of oligopeptidase B from S. proteomaculans with modified hinge region | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I. | Deposit date: | 2021-02-03 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.717 Å) | Cite: | First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine. Biology (Basel), 10, 2021
|
|
6ONK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6onk by Molmil](/molmil-images/mine/6onk) | Dehaloperoxidase B in complex with substrate 4-Cl-cresol | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-methylphenol, Dehaloperoxidase B, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | Deposit date: | 2019-04-22 | Release date: | 2019-09-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants. Arch.Biochem.Biophys., 673, 2019
|
|
7NMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nmu by Molmil](/molmil-images/mine/7nmu) | |
6OOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oou by Molmil](/molmil-images/mine/6oou) | Crystal structure of HIV-1 Protease NL4-3 L89V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, NL4-3 PROTEASE, SULFATE ION | Authors: | Henes, M, Kosovrasti, K, Lockbaum, G.J, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A, Whitfield, T.W. | Deposit date: | 2019-04-23 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance. Biochemistry, 58, 2019
|
|
7PCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pcv by Molmil](/molmil-images/mine/7pcv) | |
8DML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dml by Molmil](/molmil-images/mine/8dml) | Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt chenodeoxycholate | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHENODEOXYCHOLIC ACID, ... | Authors: | Tomchick, D.R, Orth, K, Zou, A.J. | Deposit date: | 2022-07-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Molecular determinants for differential activation of the bile acid receptor from the pathogen Vibrio parahaemolyticus. J.Biol.Chem., 299, 2023
|
|
8DT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dt8 by Molmil](/molmil-images/mine/8dt8) | LM18/Nb136 bispecific tetra-nanobody immunoglobulin in complex with SARS-CoV-2-6P-Mut7 S protein (focused refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LM18 nanobody, Nb136 nanobody, ... | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | Deposit date: | 2022-07-25 | Release date: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6M7I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m7i by Molmil](/molmil-images/mine/6m7i) | Crystal structure of KPC-2 with compound 3 | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-08-20 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
|
|
6M7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m7w by Molmil](/molmil-images/mine/6m7w) | |