7NWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nwg by Molmil](/molmil-images/mine/7nwg) | Mammalian pre-termination 80S ribosome with Hybrid P/E- and A/P-site tRNA's bound by Blasticidin S. | Descriptor: | 18S Ribosomal RNA, 28S Ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C. | Deposit date: | 2021-03-16 | Release date: | 2021-07-07 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA. Nucleic Acids Res., 49, 2021
|
|
7NZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nz0 by Molmil](/molmil-images/mine/7nz0) | |
7NZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nz3 by Molmil](/molmil-images/mine/7nz3) | Cryo-EM structure of apposed MukBEF-MatP monomers on DNA | Descriptor: | 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ... | Authors: | Buermann, F, Lowe, J. | Deposit date: | 2021-03-23 | Release date: | 2021-07-07 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (11 Å) | Cite: | Cryo-EM structure of MukBEF reveals DNA loop entrapment at chromosomal unloading sites. Mol.Cell, 81, 2021
|
|
7OJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oj8 by Molmil](/molmil-images/mine/7oj8) | ABCG2 E1S turnover-2 state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | Authors: | Ni, D, Yu, Q, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | Deposit date: | 2021-05-14 | Release date: | 2021-07-21 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism. Nat Commun, 12, 2021
|
|
6P4D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p4d by Molmil](/molmil-images/mine/6p4d) | Hen egg lysozyme (HEL) containing three point mutations (HEL3x): R21Q, R73E, and D101R | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2019-05-27 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6P0U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p0u by Molmil](/molmil-images/mine/6p0u) | Crystal structure of ternary DNA complex " FX(1-2)-2Xis" containing E. coli Fis and phage lambda Xis | Descriptor: | DNA (27-MER), FX1-2, DNA-binding protein Fis, ... | Authors: | Hancock, S.P, Cascio, D, Johnson, R.C. | Deposit date: | 2019-05-17 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Cooperative DNA binding by proteins through DNA shape complementarity. Nucleic Acids Res., 47, 2019
|
|
6VZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vzh by Molmil](/molmil-images/mine/6vzh) | Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 | Descriptor: | (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | dos Reis, C.V, Dutra, L.A, Gama, F, Ferreira, M, Mascarello, A, Azevedo, H, Guimaraes, C, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-28 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 To be Published
|
|
6PBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pbh by Molmil](/molmil-images/mine/6pbh) | |
6WAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6waq by Molmil](/molmil-images/mine/6waq) | |
6PL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pl9 by Molmil](/molmil-images/mine/6pl9) | Adduct formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidaz ol-2-ylidene)(eta5-pentamethylcyclopentadienyl)rhodium(III) with HEWL | Descriptor: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION, ... | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2019-06-30 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation. Angew.Chem.Int.Ed.Engl., 2021
|
|
6P0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p0t by Molmil](/molmil-images/mine/6p0t) | Crystal structure of ternary DNA complex "FX(1-2)-1Xis" containing E. coli Fis and phage lambda Xis | Descriptor: | DNA (27-MER), FX1-2, DNA-binding protein Fis, ... | Authors: | Hancock, S.P, Cascio, D, Johnson, R.C. | Deposit date: | 2019-05-17 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.603 Å) | Cite: | Cooperative DNA binding by proteins through DNA shape complementarity. Nucleic Acids Res., 47, 2019
|
|
6PQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pq9 by Molmil](/molmil-images/mine/6pq9) | Crystal Structure of TLA-1 S70G extended spectrum Beta-lactamase | Descriptor: | ACETATE ION, ASPARTIC ACID, Beta-lactamase, ... | Authors: | Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Alamazan, C. | Deposit date: | 2019-07-08 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.191 Å) | Cite: | The crystal structure of ESBL TLA-1 in complex with clavulanic acid reveals a second acylation site. Biochem.Biophys.Res.Commun., 522, 2020
|
|
6P4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p4a by Molmil](/molmil-images/mine/6p4a) | |
6OZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ozx by Molmil](/molmil-images/mine/6ozx) | Wild type GapR crystal structure 1 from C. crescentus | Descriptor: | UPF0335 protein CC_3319 | Authors: | Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. | Deposit date: | 2019-05-16 | Release date: | 2019-11-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Structures of GapR reveal a central channel which could accommodate B-DNA. Sci Rep, 9, 2019
|
|
5PO8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5po8 by Molmil](/molmil-images/mine/5po8) | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N07808b | Descriptor: | 1,2-ETHANEDIOL, 6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one, Bromodomain-containing protein 1, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-07 | Release date: | 2017-03-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
|
|
6P8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p8c by Molmil](/molmil-images/mine/6p8c) | 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus | Descriptor: | 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase, CHLORIDE ION, GLYCEROL, ... | Authors: | Carbone, V, Schofield, L.R, Hannus, I, Sutherland-Smith, A.J, Ronimus, R.S. | Deposit date: | 2019-06-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The Crystal Structure of 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus To Be Published
|
|
6W8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w8k by Molmil](/molmil-images/mine/6w8k) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. | Deposit date: | 2020-03-20 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
|
|
6VLG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vlg by Molmil](/molmil-images/mine/6vlg) | Crystal structure of mouse alpha 1,6-fucosyltransferase, FUT8 bound to GDP | Descriptor: | Alpha-(1,6)-fucosyltransferase, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
|
|
6VXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vxr by Molmil](/molmil-images/mine/6vxr) | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, Maternal embryonic leucine zipper kinase | Authors: | Counago, R.M, Takarada, J.E, dos Reis, C.V, Gama, F.H, Azevedo, H, Mascarello, A, Guimaraes, C.R, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-24 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 To Be Published
|
|
6OZY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ozy by Molmil](/molmil-images/mine/6ozy) | Wild type GapR crystal structure 2 from C. crescentus | Descriptor: | CADMIUM ION, UPF0335 protein CC_3319 | Authors: | Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. | Deposit date: | 2019-05-16 | Release date: | 2019-11-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.014 Å) | Cite: | Structures of GapR reveal a central channel which could accommodate B-DNA. Sci Rep, 9, 2019
|
|
8UBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ubh by Molmil](/molmil-images/mine/8ubh) | |
4QY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qy7 by Molmil](/molmil-images/mine/4qy7) | |
7AV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7av1 by Molmil](/molmil-images/mine/7av1) | LTA4 hydrolase in complex with fragment2 | Descriptor: | 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine, ACETATE ION, IMIDAZOLE, ... | Authors: | Srinivas, H. | Deposit date: | 2020-11-03 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase. J.Med.Chem., 64, 2021
|
|
7AM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7am5 by Molmil](/molmil-images/mine/7am5) | |
7AW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aw2 by Molmil](/molmil-images/mine/7aw2) | MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library | Descriptor: | 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
|
|