5M8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m8e by Molmil](/molmil-images/mine/5m8e) | Crystal structure of a GH43 arabonofuranosidase from Weissella sp. strain 142 | Descriptor: | Alpha-N-arabinofuranosidase, CALCIUM ION, GLYCEROL, ... | Authors: | Linares-Pasten, J, Logan, D.T, Nordberg Karlsson, E. | Deposit date: | 2016-10-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structures and functional studies of two GH43 arabinofuranosidases from Weissella sp. strain 142 and Lactobacillus brevis. FEBS J., 284, 2017
|
|
5NGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ngu by Molmil](/molmil-images/mine/5ngu) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-20 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
5NII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nii by Molmil](/molmil-images/mine/5nii) | Crystal structure of the atypical thioredoxin reductase TRi from Desulfovibrio vulgaris Hildenborough | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Valette, O, Tran, T.T.I, Cavazza, C, Caudeville, E, Brasseur, G, Dolla, A, Talla, E, Pieulle, L. | Deposit date: | 2017-03-24 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical Function, Molecular Structure and Evolution of an Atypical Thioredoxin Reductase from Desulfovibrio vulgaris. Front Microbiol, 8, 2017
|
|
4AQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aqc by Molmil](/molmil-images/mine/4aqc) | Triazolopyridine-based Inhibitor of Janus Kinase 2 | Descriptor: | 8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine, SULFATE ION, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Dugan, B.J, Gingrich, D.E, Mesaros, E.F, Milkiewicz, K.L, Curry, M.A, Zulli, A.L, Dobrzanski, P, Serdikoff, C, Jan, M, Angeles, T.S, Albom, M.S, Mason, J.L, Aimone, L.D, Meyer, S.L, Huang, Z, Wells-Knecht, K.J, Ator, M.A, Ruggeri, B.A, Dorsey, B.D. | Deposit date: | 2012-04-16 | Release date: | 2012-04-25 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Selective, Orally Bioavailable 1,2,4-Triazolo[1,5-A]Pyridine-Based Inhibitor of Janus Kinase 2 for Use in Anticancer Therapy: Discovery of Cep-33779. J.Med.Chem., 55, 2012
|
|
4J4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j4t by Molmil](/molmil-images/mine/4j4t) | Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold | Descriptor: | 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2013-02-07 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI). Bioorg.Med.Chem.Lett., 25, 2015
|
|
6Z40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z40 by Molmil](/molmil-images/mine/6z40) | |
6LPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lpl by Molmil](/molmil-images/mine/6lpl) | A2AR crystallized in EROCOC17+4, SS-ROX at 100 K | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | Deposit date: | 2020-01-11 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography. Sci Rep, 10, 2020
|
|
2WIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wif by Molmil](/molmil-images/mine/2wif) | AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-11 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
|
|
6BZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bz6 by Molmil](/molmil-images/mine/6bz6) | Thermus thermophilus 70S complex containing 16S G347U ram mutation and empty A site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Hoffer, E.D, Maehigashi, T, Fagan, C.E, Dunham, C.M. | Deposit date: | 2017-12-22 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Ribosomal ambiguity (ram) mutations promote the open (off) to closed (on) transition and thereby increase miscoding. Nucleic Acids Res., 47, 2019
|
|
3NM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nm1 by Molmil](/molmil-images/mine/3nm1) | The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | Descriptor: | 2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, MAGNESIUM ION, ... | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-06-21 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.211 Å) | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
|
|
2WO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wo3 by Molmil](/molmil-images/mine/2wo3) | Crystal Structure of the EphA4-ephrinA2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EPHRIN TYPE-A RECEPTOR, EPHRIN-A2 | Authors: | Bowden, T.A, Aricescu, A.R, Nettleship, J.E, Siebold, C, Rahman-Huq, N, Owens, R.J, Stuart, D.I, Jones, E.Y. | Deposit date: | 2009-07-21 | Release date: | 2009-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Plasticity of Eph-Receptor A4 Facilitates Cross-Class Ephrin Signalling Structure, 17, 2009
|
|
7JSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jsd by Molmil](/molmil-images/mine/7jsd) | Hydroxylase homolog of BesD with Fe(II), alpha-ketoglutarate, and lysine | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, LYSINE, ... | Authors: | Kissman, E.N, Neugebauer, M.E, Chang, M.C.Y. | Deposit date: | 2020-08-14 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Reaction pathway engineering converts a radical hydroxylase into a halogenase. Nat.Chem.Biol., 18, 2022
|
|
2WSL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wsl by Molmil](/molmil-images/mine/2wsl) | Aged Form of Human Butyrylcholinesterase Inhibited by Tabun Analogue TA4 | 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-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-09-08 | Release date: | 2009-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
|
|
3N7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n7u by Molmil](/molmil-images/mine/3n7u) | NAD-dependent formate dehydrogenase from higher-plant Arabidopsis thaliana in complex with NAD and azide | Descriptor: | AZIDE ION, Formate dehydrogenase, GLYCEROL, ... | Authors: | Shabalin, I.G, Polyakov, K.M, Serov, A.E, Skirgello, O.E, Sadykhov, E.G, Dorovatovskiy, P.V, Tishkov, V.I, Popov, V.O. | Deposit date: | 2010-05-27 | Release date: | 2010-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the apo and holo forms of NAD-dependent formate dehydrogenase from the higher-plant Arabidopsis Thaliana To be Published
|
|
6TGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tgx by Molmil](/molmil-images/mine/6tgx) | Crystal structure of Arabidopsis thaliana NAA60 in complex with a bisubstrate analogue | Descriptor: | Acyl-CoA N-acyltransferases (NAT) superfamily protein, CARBOXYMETHYL COENZYME *A, MET-VAL-ASN-ALA | Authors: | Layer, D, Kopp, J, Lapouge, K, Sinning, I. | Deposit date: | 2019-11-18 | Release date: | 2020-06-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response. New Phytol., 228, 2020
|
|
6TBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tbq by Molmil](/molmil-images/mine/6tbq) | AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae partially in Cu(II) state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, COPPER (II) ION, ... | Authors: | Muderspach, S.J, Lo Leggio, L, Tandrup, T, Frandsen, K.E.H, Poulsen, J.C.N. | Deposit date: | 2019-11-04 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Further structural studies of the lytic polysaccharide monooxygenase AoAA13 belonging to the starch-active AA13 family Amylase, 3(1), 2019
|
|
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
|
|
6THH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6thh by Molmil](/molmil-images/mine/6thh) | |
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
|
|
5CN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cn3 by Molmil](/molmil-images/mine/5cn3) | X-ray structure of wild-type TTR at 1.30A resolution | Descriptor: | Transthyretin | Authors: | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | Deposit date: | 2015-07-17 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
5FMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fmo by Molmil](/molmil-images/mine/5fmo) | Crystal structure and proteomics analysis of empty virus like particles of Cowpea mosaic virus | Descriptor: | EMPTY VIRUS LIKE PARTICLES OF COWPEA MOSAIC VIRUS | Authors: | Huynh, N, Hesketh, E.L, Saxena, P, Meshcheriakova, Y, Ku, Y.C, Hoang, L, Johnson, J.E, Ranson, N.A, Lomonossoff, G.P, Reddy, V.S. | Deposit date: | 2015-11-07 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure and Proteomics Analysis of Empty Virus-Like Particles of Cowpea Mosaic Virus. Structure, 24, 2016
|
|
6T41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t41 by Molmil](/molmil-images/mine/6t41) | CDK8/Cyclin C in complex with N-(4-chlorobenzyl)isoquinolin-4-amine | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Schneider, E.V, Maskos, K, Huber, R, Kuhn, C.-D. | Deposit date: | 2019-10-11 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A precisely positioned MED12 activation helix stimulates CDK8 kinase activity. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6T1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t1o by Molmil](/molmil-images/mine/6t1o) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 6 | Descriptor: | 1,2-ETHANEDIOL, 4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | Authors: | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
|
|
2WID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wid by Molmil](/molmil-images/mine/2wid) | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-11 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
|
|