3KJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kj1 by Molmil](/molmil-images/mine/3kj1) | Mcl-1 in complex with Bim BH3 mutant I2dA | Descriptor: | ACETATE ION, Bcl-2-like protein 11, CHLORIDE ION, ... | Authors: | Fire, E, Grant, R.A, Keating, A.E. | Deposit date: | 2009-11-02 | Release date: | 2010-02-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes. Protein Sci., 19, 2010
|
|
5MRK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mrk by Molmil](/molmil-images/mine/5mrk) | |
4JS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4js7 by Molmil](/molmil-images/mine/4js7) | |
6I2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i2j by Molmil](/molmil-images/mine/6i2j) | Crystal structure of the ferric enterobactin receptor mutant (Q482A) from Pseudomonas aeruginosa (PfeA) in complex with enterobactin | Descriptor: | FE (III) ION, Ferric enterobactin receptor, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) | Authors: | Moynie, L, Naismith, J.H. | Deposit date: | 2018-11-01 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model. Nat Commun, 10, 2019
|
|
8DT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dt9 by Molmil](/molmil-images/mine/8dt9) | Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor PF-00835231 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ... | Authors: | Shaqra, A.M, Schiffer, C.A. | Deposit date: | 2022-07-25 | Release date: | 2024-02-07 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance. Acs Infect Dis., 10, 2024
|
|
5MY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5my4 by Molmil](/molmil-images/mine/5my4) | |
6JTZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jtz by Molmil](/molmil-images/mine/6jtz) | Crystal Structure of hRecQ1_D2-Zn-WH containing mutation on beta-hairpin | Descriptor: | ATP-dependent DNA helicase Q1, ZINC ION | Authors: | Das, T, Mukhopadhyay, S, Bose, M, Das, A.K, Ganguly, A. | Deposit date: | 2019-04-12 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Residues at the interface between zinc binding and winged helix domains of human RECQ1 play a significant role in DNA strand annealing activity. Nucleic Acids Res., 2021
|
|
5MYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5myo by Molmil](/molmil-images/mine/5myo) | Structure of Pyroglutamate-Abeta-specific Fab c#6 in complex with human Abeta-pE3-12-PEGb | Descriptor: | Amyloid beta A4 protein, Fab c#6 heavy chain, Fab c#6 light chain, ... | Authors: | Parthier, C, Piechotta, A, Stubbs, M.T. | Deposit date: | 2017-01-27 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural and functional analyses of pyroglutamate-amyloid-beta-specific antibodies as a basis for Alzheimer immunotherapy. J. Biol. Chem., 292, 2017
|
|
6JZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jza by Molmil](/molmil-images/mine/6jza) | Structure of Fstl1 | Descriptor: | Follistatin-related protein 1 | Authors: | Liu, X, Ning, W. | Deposit date: | 2019-04-30 | Release date: | 2019-08-21 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional study of FK domain of Fstl1. Protein Sci., 28, 2019
|
|
5N5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n5t by Molmil](/molmil-images/mine/5n5t) | 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV2 | Descriptor: | 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol, CHLORIDE ION, ... | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | Deposit date: | 2017-02-14 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
|
|
6H37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h37 by Molmil](/molmil-images/mine/6h37) | The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide | Descriptor: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | Deposit date: | 2018-07-17 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
|
|
5N03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n03 by Molmil](/molmil-images/mine/5n03) | Crystal structure of the decarboxylase AibA/AibB C56V variant | Descriptor: | ACETATE ION, Glutaconate CoA-transferase family, subunit A, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
1O1C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o1c by Molmil](/molmil-images/mine/1o1c) | MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | Deposit date: | 2002-11-18 | Release date: | 2002-12-04 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (70 Å) | Cite: | Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle J.Struct.Biol., 138, 2002
|
|
5N0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n0d by Molmil](/molmil-images/mine/5n0d) | Crystal structure of human carbonic anhydrase II in complex with (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | Descriptor: | (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Di Fiore, A, De Simone, G. | Deposit date: | 2017-02-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides. J. Med. Chem., 60, 2017
|
|
5NB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nb5 by Molmil](/molmil-images/mine/5nb5) | |
6HHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hhe by Molmil](/molmil-images/mine/6hhe) | Crystal structure of the medfly Odorant Binding Protein CcapOBP22/CcapOBP69a | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Odorant binding protein OBP69a, SULFATE ION | Authors: | Falchetto, M, Ciossani, G, Nenci, S, Mattevi, A, Gasperi, G, Forneris, F. | Deposit date: | 2018-08-28 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.516 Å) | Cite: | Structural and biochemical evaluation of Ceratitis capitata odorant-binding protein 22 affinity for odorants involved in intersex communication. Insect Mol.Biol., 28, 2019
|
|
1LRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lrn by Molmil](/molmil-images/mine/1lrn) | Aquifex aeolicus KDO8P synthase H185G mutant in complex with Cadmium | Descriptor: | CADMIUM ION, KDO-8-phosphate synthetase, PHOSPHATE ION | Authors: | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | Deposit date: | 2002-05-15 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase J.Mol.Biol., 324, 2002
|
|
3KJ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kj2 by Molmil](/molmil-images/mine/3kj2) | Mcl-1 in complex with Bim BH3 mutant F4aE | Descriptor: | ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Fire, E, Grant, R.A, Keating, A.E. | Deposit date: | 2009-11-02 | Release date: | 2010-02-16 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes. Protein Sci., 19, 2010
|
|
6HP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hp9 by Molmil](/molmil-images/mine/6hp9) | Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor | Descriptor: | (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide, Epithelial discoidin domain-containing receptor 1 | Authors: | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-19 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | 2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy. J.Med.Chem., 62, 2019
|
|
1QUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1quh by Molmil](/molmil-images/mine/1quh) | L99G/E108V MUTANT OF T4 LYSOZYME | Descriptor: | CHLORIDE ION, HEXANE-1,6-DIOL, PROTEIN (LYSOZYME) | Authors: | Wray, J, Baase, W.A, Lindstrom, J.D, Poteete, A.R, Matthews, B.W. | Deposit date: | 1999-07-01 | Release date: | 1999-07-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural analysis of a non-contiguous second-site revertant in T4 lysozyme shows that increasing the rigidity of a protein can enhance its stability. J.Mol.Biol., 292, 1999
|
|
6I5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i5x by Molmil](/molmil-images/mine/6i5x) | Crystal structure of Aspergillus fumigatus phosphomannomutase | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Zhang, Y, Raimi, O.G, Ferenbach, A.T, van Aalten, D.M.F. | Deposit date: | 2018-11-15 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Aspergillus fumigatus phosphomannomutase To Be Published
|
|
1QUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1quo by Molmil](/molmil-images/mine/1quo) | L99A/E108V MUTANT OF T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PROTEIN (LYSOZYME) | Authors: | Wray, J, Baase, W.A, Lindstrom, J.D, Poteete, A.R, Matthews, B.W. | Deposit date: | 1999-07-01 | Release date: | 1999-07-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of a non-contiguous second-site revertant in T4 lysozyme shows that increasing the rigidity of a protein can enhance its stability. J.Mol.Biol., 292, 1999
|
|
3H4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h4z by Molmil](/molmil-images/mine/3h4z) | Crystal Structure of an MBP-Der p 7 fusion protein | Descriptor: | Maltose-binding periplasmic protein fused with Allergen DERP7, SODIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Pedersen, L.C, Mueller, G.A, London, R.E. | Deposit date: | 2009-04-21 | Release date: | 2010-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The structure of the dust mite allergen Der p 7 reveals similarities to innate immune proteins. J.Allergy Clin.Immunol., 125, 2010
|
|
4JWM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jwm by Molmil](/molmil-images/mine/4jwm) | Ternary complex of D256E mutant of DNA Polymerase Beta | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Perera, L, Ping, L, Shock, D.D, Beard, W.A, Pedersen, L.C, Pedersen, L.G, Wilson, S.H. | Deposit date: | 2013-03-27 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Amino Acid Substitution in the Active Site of DNA Polymerase beta Explains the Energy Barrier of the Nucleotidyl Transfer Reaction. J.Am.Chem.Soc., 135, 2013
|
|
6JSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jsn by Molmil](/molmil-images/mine/6jsn) | Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
|
|