5NLR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nlr by Molmil](/molmil-images/mine/5nlr) | Auxiliary activity 9 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Lo Leggio, L. | Deposit date: | 2017-04-04 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates. Nat Commun, 8, 2017
|
|
1GS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gs7 by Molmil](/molmil-images/mine/1gs7) | Crystal structure of H254F mutant of Alcaligenes xylosoxidans Nitrite Reductase | Descriptor: | COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ZINC ION | Authors: | Ellis, M.J, Prudencio, M, Dodd, F.E, Strange, R.W, Sawers, G, Eady, R.R, Hasnain, S.S. | Deposit date: | 2002-01-02 | Release date: | 2002-02-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biochemical and Crystallographic Studies of the met144Ala, Asp92Asn and His254Phe Mutants of the Nitrite Reductase from Alcaligenes Xylosoxidans Provide Insight Into the Enzyme Mechanism. J.Mol.Biol., 316, 2002
|
|
4PA9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pa9 by Molmil](/molmil-images/mine/4pa9) | Structure of NavMS in complex with channel blocking compound | Descriptor: | BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-04-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
7KKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kks by Molmil](/molmil-images/mine/7kks) | Neutron structure of Oxidized Human MnSOD | Descriptor: | MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
|
|
7OJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ojj by Molmil](/molmil-images/mine/7ojj) | Lassa virus L protein with endonuclease and C-terminal domains in close proximity [MID-LINK] | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-16 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
|
|
6CHL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6chl by Molmil](/molmil-images/mine/6chl) | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | Descriptor: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-22 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
|
|
5NMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nmu by Molmil](/molmil-images/mine/5nmu) | Structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria | Descriptor: | CBS-CP12, CHLORIDE ION | Authors: | Hackenberg, C, Hakanpaa, J, Antonyuk, S.V, Dittmann, E, Lamzin, V.S. | Deposit date: | 2017-04-07 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5NP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5np8 by Molmil](/molmil-images/mine/5np8) | PGK1 in complex with CRT0063465 (3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid) | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid, ... | Authors: | Turnbull, A.P, Bilsland, A.E, Liu, Y, Sumpton, D, Stevenson, K, Cairney, C.J, Roffey, J, Jenkinson, D, Keith, W.N. | Deposit date: | 2017-04-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Novel Pyrazolopyrimidine Ligand of Human PGK1 and Stress Sensor DJ1 Modulates the Shelterin Complex and Telomere Length Regulation. Neoplasia, 21, 2019
|
|
2UWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uwd by Molmil](/molmil-images/mine/2uwd) | Inhibition of the HSP90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole, isoxazole amide analogs | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, ... | Authors: | Sharp, S.Y, Prodromou, C, Boxall, K, Powers, M.V, Holmes, J.L, Box, G, Matthews, T.P, Cheung, K.M, Kalusa, A, James, K, Hayes, A, Hardcastle, A, Dymock, B, Brough, P.A, Barril, X, Cansfield, J.E, Wright, L.M, Surgenor, A, Foloppe, N, Aherne, W, Pearl, L, Jones, K, McDonald, E, Raynaud, F, Eccles, S, Drysdale, M, Workman, P. | Deposit date: | 2007-03-20 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues. Mol. Cancer Ther., 6, 2007
|
|
2OTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2otl by Molmil](/molmil-images/mine/2otl) | Girodazole bound to the large subunit of Haloarcula marismortui | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ... | Authors: | Blaha, G, Schroeder, S.J, Tirado-Rives, J. | Deposit date: | 2007-02-08 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Structures of Antibiotics Bound to the E Site Region of the 50 S Ribosomal Subunit of Haloarcula marismortui: 13-Deoxytedanolide and Girodazole. J.Mol.Biol., 367, 2007
|
|
8PUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pum by Molmil](/molmil-images/mine/8pum) | |
5NRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nre by Molmil](/molmil-images/mine/5nre) | A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - a3GalT in complex with lactose - a3GalT-LAT | Descriptor: | N-acetyllactosaminide alpha-1,3-galactosyltransferase, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E. | Deposit date: | 2017-04-22 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
1AHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ahq by Molmil](/molmil-images/mine/1ahq) | RECOMBINANT ACTOPHORIN | Descriptor: | ACTOPHORIN | Authors: | Leonard, S.A, Gittis, A.G, Petrella, E.C, Pollard, T.D, Lattman, E.E. | Deposit date: | 1997-04-10 | Release date: | 1997-09-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the actin-binding protein actophorin from Acanthamoeba. Nat.Struct.Biol., 4, 1997
|
|
7YVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yvz by Molmil](/molmil-images/mine/7yvz) | Structure of Caenorhabditis elegans CISD-1/mitoNEET | Descriptor: | CDGSH iron-sulfur domain-containing protein 1 (CISD-1/mitoNEET), FE2/S2 (INORGANIC) CLUSTER | Authors: | Hasegawa, K, Hagiuda, E, Taguchi, A.T, Geldenhuys, W, Iwasaki, T, Kumasaka, T. | Deposit date: | 2022-08-20 | Release date: | 2022-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and biological evaluation of Caenorhabditis elegans CISD-1/mitoNEET, a KLP-17 tail domain homologue, supports attenuation of paraquat-induced oxidative stress through a p38 MAPK-mediated antioxidant defense response. Adv Redox Res, 6, 2022
|
|
8QOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qoy by Molmil](/molmil-images/mine/8qoy) | Capsular polysaccharide synthesis multienzyme of Actinobacillus Pleuropneumoniae serotype 3 | Descriptor: | SULFATE ION, TagF-like capsule polymerase Cps3D, ZINC ION | Authors: | Di Domenico, V, Litschko, C, Schulze, J, Bethe, A, Cifuente, J.O, Marina, A, Budde, I, Mast, T.A, Sulewska, M, Berger, M, Buettner, F, Gerardy-Schahn, R, Fiebig, T, Guerin, M.E. | Deposit date: | 2023-09-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Transition transferases prime bacterial capsule polymerization. Nat.Chem.Biol., 2024
|
|
8QZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qzw by Molmil](/molmil-images/mine/8qzw) | |
5DA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5da7 by Molmil](/molmil-images/mine/5da7) | monomeric PCNA bound to a small protein inhibitor | Descriptor: | DNA polymerase sliding clamp 1, Proliferating cell nuclear antigen, SULFATE ION, ... | Authors: | Ladner, J.E, Altieri, A.S, Kelman, Z. | Deposit date: | 2015-08-19 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | A small protein inhibits proliferating cell nuclear antigen by breaking the DNA clamp. Nucleic Acids Res., 44, 2016
|
|
8OHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ohi by Molmil](/molmil-images/mine/8ohi) | Structure of the Fmoc-Tau-PAM4 Type 2 amyloid fibril | Descriptor: | Microtubule-associated protein tau | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | Deposit date: | 2023-03-21 | Release date: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Local structural preferences in shaping tau amyloid polymorphism. Nat Commun, 15, 2024
|
|
8OHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ohp by Molmil](/molmil-images/mine/8ohp) | Structure of the Fmoc-Tau-PAM4 Type 3 amyloid fibril | Descriptor: | Microtubule-associated protein tau | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | Deposit date: | 2023-03-21 | Release date: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Local structural preferences in shaping tau amyloid polymorphism. Nat Commun, 15, 2024
|
|
8OI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oi0 by Molmil](/molmil-images/mine/8oi0) | Structure of the Fmoc-Tau-PAM4 Type 4 amyloid fibril | Descriptor: | Microtubule-associated protein tau | Authors: | Wilkinson, M, Louros, N, Tsaka, G, Ramakers, M, Morelli, C, Garcia, T, Gallardo, R.U, D'Haeyer, S, Goossens, V, Audenaert, D, Thal, D.R, Ranson, N.A, Radford, S.E, Rousseau, F, Schymkowitz, J. | Deposit date: | 2023-03-21 | Release date: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Local structural preferences in shaping tau amyloid polymorphism. Nat Commun, 15, 2024
|
|
6T3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t3e by Molmil](/molmil-images/mine/6t3e) | Structure of Thermococcus litoralis Delta(1)-pyrroline-2-carboxylate reductase in complex with NADH and L-proline | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DELTA1-pyrroline-2-carboxylate reductase, PROLINE | Authors: | Ferraris, D.M, Miggiano, R, Ferrario, E, Rizzi, M. | Deposit date: | 2019-10-10 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Thermococcus litoralis Delta1-pyrroline-2-carboxylate reductase in complex with NADH and L-proline. Acta Crystallogr D Struct Biol, 76, 2020
|
|
6DZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dzw by Molmil](/molmil-images/mine/6dzw) | Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv | Descriptor: | 15B8 antibody heavy chain, 15B8 antibody light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | Deposit date: | 2018-07-05 | Release date: | 2019-04-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport. Nature, 569, 2019
|
|
1H2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1h2f by Molmil](/molmil-images/mine/1h2f) | |
1L7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l7x by Molmil](/molmil-images/mine/1l7x) | Human liver glycogen phosphorylase b complexed with caffeine, N-acetyl-beta-D-glucopyranosylamine, and CP-403,700 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CAFFEINE, Glycogen phosphorylase, ... | Authors: | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | Deposit date: | 2002-03-18 | Release date: | 2002-12-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase. Chem.Biol., 9, 2002
|
|
8QZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qzx by Molmil](/molmil-images/mine/8qzx) | |