3IAV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iav by Molmil](/molmil-images/mine/3iav) | Propionyl-CoA Carboxylase Beta Subunit, D422V | Descriptor: | Propionyl-CoA carboxylase complex B subunit, SULFATE ION | Authors: | Diacovich, L, Arabolaza, A, Shillito, E.M, Lin, T.-W, Mitchell, D.L, Pham, H, Melgar, M.M. | Deposit date: | 2009-07-14 | Release date: | 2010-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures and mutational analyses of acyl-CoA carboxylase beta subunit of Streptomyces coelicolor. Biochemistry, 49, 2010
|
|
3RI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ri5 by Molmil](/molmil-images/mine/3ri5) | C. elegans glutamate-gated chloride channel (GluCl) in complex with Fab, ivermectin and picrotoxin | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hibbs, R.E, Gouaux, E. | Deposit date: | 2011-04-12 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Principles of activation and permeation in an anion-selective Cys-loop receptor. Nature, 474, 2011
|
|
2CHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2chb by Molmil](/molmil-images/mine/2chb) | CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE | Descriptor: | CHOLERA TOXIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Merritt, E.A, Hol, W.G.J. | Deposit date: | 1997-06-03 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of receptor binding by cholera toxin mutants. Protein Sci., 6, 1997
|
|
2VRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vrg by Molmil](/molmil-images/mine/2vrg) | Structure of human MCFD2 | Descriptor: | CALCIUM ION, MULTIPLE COAGULATION FACTOR DEFICIENCY PROTEIN 2 | Authors: | Guy, J.E, Wigren, E, Svard, M, Hard, T, Lindqvist, Y. | Deposit date: | 2008-04-04 | Release date: | 2008-07-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | New insights into multiple coagulation factor deficiency from the solution structure of human MCFD2. J. Mol. Biol., 381, 2008
|
|
3IG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ig1 by Molmil](/molmil-images/mine/3ig1) | HIV-1 Reverse Transcriptase with the Inhibitor beta-Thujaplicinol Bound at the RNase H Active Site | Descriptor: | 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, HIV-1 Reverse Transcriptase p51 subunit, HIV-1 Reverse Transcriptase p66 subunit, ... | Authors: | Himmel, D.M, Maegley, K.A, Pauly, T.A, Arnold, E. | Deposit date: | 2009-07-27 | Release date: | 2010-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site. Structure, 17, 2009
|
|
2MUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mus by Molmil](/molmil-images/mine/2mus) | HADDOCK calculated model of LIN5001 bound to the HET-s amyloid | Descriptor: | 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s | Authors: | Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. | Deposit date: | 2014-09-16 | Release date: | 2017-02-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure-based drug design identifies polythiophenes as antiprion compounds. Sci Transl Med, 7, 2015
|
|
2W1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w1f by Molmil](/molmil-images/mine/2w1f) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
|
|
3LT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lt5 by Molmil](/molmil-images/mine/3lt5) | X-ray Crystallographic structure of a Pseudomonas Aeruginosa Azoreductase in complex with balsalazide | Descriptor: | (3E)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ... | Authors: | Ryan, A, Laurieri, N, Westwood, I, Wang, C.-J, Lowe, E, Sim, E. | Deposit date: | 2010-02-15 | Release date: | 2010-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Novel Mechanism for Azoreduction J.Mol.Biol., 400, 2010
|
|
6FFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ffz by Molmil](/molmil-images/mine/6ffz) | Crystal structure of R. ruber ADH-A, mutant F43H, Y54L | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | Deposit date: | 2018-01-09 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin. Biochemistry, 57, 2018
|
|
2XZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xz0 by Molmil](/molmil-images/mine/2xz0) | The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein. | Descriptor: | 1,2-ETHANEDIOL, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ... | Authors: | Moche, M, Guy, J.E, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y. | Deposit date: | 2010-11-22 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
1HNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hnw by Molmil](/molmil-images/mine/1hnw) | STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH TETRACYCLINE | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Brodersen, D.E, Clemons Jr, W.M, Carter, A.P, Morgan-Warren, R, Wimberly, B.T, Ramakrishnan, V. | Deposit date: | 2000-12-08 | Release date: | 2001-02-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The structural basis for the action of the antibiotics tetracycline, pactamycin, and hygromycin B on the 30S ribosomal subunit. Cell(Cambridge,Mass.), 103, 2000
|
|
8TKL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tkl by Molmil](/molmil-images/mine/8tkl) | Murine NF-kappaB p50 Rel Homology Region homodimer in complex with a Test 16-mer kappaB-like DNA | Descriptor: | Nuclear factor NF-kappa-B p50 subunit, Test 17-mer kappaB-like DNA | Authors: | Mitchel, S, Mealka, M, Rogers, W.E, Milani, C, Acuna, L.M, Huxford, T. | Deposit date: | 2023-07-25 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA. Biomolecules, 13, 2023
|
|
1F2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f2a by Molmil](/molmil-images/mine/1f2a) | CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (II) | Descriptor: | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE, CRUZAIN | Authors: | Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J. | Deposit date: | 2000-05-23 | Release date: | 2000-07-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease. Structure Fold.Des., 8, 2000
|
|
4BV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bv5 by Molmil](/molmil-images/mine/4bv5) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A) | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-25 | Release date: | 2014-07-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
|
|
8FTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ftc by Molmil](/molmil-images/mine/8ftc) | Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor | Descriptor: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Chen, P, Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2023-01-11 | Release date: | 2023-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Effect of Deuteration and Homologation of the Lactam Ring of Nirmatrelvir on Its Biochemical Properties and Oxidative Metabolism. Acs Bio Med Chem Au, 3, 2023
|
|
5CI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ci4 by Molmil](/molmil-images/mine/5ci4) | Ribonucleotide reductase beta subunit | Descriptor: | MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1, beta subunit, ... | Authors: | Funk, M.A, Drennan, C.L. | Deposit date: | 2015-07-10 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example. J.Am.Chem.Soc., 138, 2016
|
|
2W1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w1g by Molmil](/molmil-images/mine/2w1g) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
|
|
2C7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c7h by Molmil](/molmil-images/mine/2c7h) | Solution NMR structure of the DWNN domain from human RBBP6 | Descriptor: | RETINOBLASTOMA-BINDING PROTEIN 6, ISOFORM 3 | Authors: | Pugh, D.J.R, Ab, E, Faro, A, Lutya, P.T, Hoffmann, E, Rees, D.J.G. | Deposit date: | 2005-11-24 | Release date: | 2006-01-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Dwnn, a Novel Ubiquitin-Like Domain, Implicates Rbbp6 in Mrna Processing and Ubiquitin-Like Pathways Bmc Struct.Biol., 6, 2006
|
|
2CB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2cb4 by Molmil](/molmil-images/mine/2cb4) | Crystal structure of the catalytic domain of the mosquitocidal toxin from Bacillus sphaericus, mutant E197Q | Descriptor: | MOSQUITOCIDAL TOXIN | Authors: | Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | Deposit date: | 2005-12-29 | Release date: | 2006-02-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Mosquitocidal Toxin from Bacillus Sphaericus. J.Mol.Biol., 357, 2006
|
|
2MT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mt5 by Molmil](/molmil-images/mine/2mt5) | Isolated Ring domain | Descriptor: | Anaphase-promoting complex subunit 11, ZINC ION | Authors: | Brown, N.G, Watson, E.R, Weissman, F, Royappa, G, Schulman, B, Jarvis, M, Vanderlinden, R, Frye, J.J, Qiao, R, Petzold, G, Peters, J, Stark, H. | Deposit date: | 2014-08-13 | Release date: | 2014-10-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mechanism of Polyubiquitination by Human Anaphase-Promoting Complex: RING Repurposing for Ubiquitin Chain Assembly. Mol.Cell, 56, 2014
|
|
2C74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c74 by Molmil](/molmil-images/mine/2c74) | 14-3-3 Protein Eta (Human) Complexed to Peptide | Descriptor: | 14-3-3 PROTEIN ETA, CITRIC ACID, CONSENSUS PEPTIDE MODE 1 FOR 14-3-3 PROTEINS | Authors: | Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A. | Deposit date: | 2005-11-17 | Release date: | 2005-12-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for protein-protein interactions in the 14-3-3 protein family. Proc. Natl. Acad. Sci. U.S.A., 103, 2006
|
|
1I6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i6s by Molmil](/molmil-images/mine/1i6s) | T4 LYSOZYME MUTANT C54T/C97A/N101A | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Kovall, R.A, Baldwin, E.P, Matthews, B.W. | Deposit date: | 2001-03-04 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme. Protein Sci., 10, 2001
|
|
2IH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ih5 by Molmil](/molmil-images/mine/2ih5) | |
7O6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o6u by Molmil](/molmil-images/mine/7o6u) | |
2C9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c9f by Molmil](/molmil-images/mine/2c9f) | THE QUASI-ATOMIC MODEL OF THE ADENOVIRUS TYPE 3 PENTON DODECAHEDRON | Descriptor: | FIBER, PENTON PROTEIN | Authors: | Fuschiotti, P, Schoehn, G, Fender, P, Fabry, C.M.S, Hewat, E.A, Chroboczek, J, Ruigrok, R.W.H, Conway, J.F. | Deposit date: | 2005-12-12 | Release date: | 2006-03-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (16.5 Å) | Cite: | Structure of the Dodecahedral Penton Particle from Human Adenovirus Type 3. J.Mol.Biol., 356, 2006
|
|