7K6J
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![BU of 7k6j by Molmil](/molmil-images/mine/7k6j) | Carbonic Anhydrase II complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | Descriptor: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Andring, J.T, Singh, S, McKenna, R. | Deposit date: | 2020-09-20 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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5FSE
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![BU of 5fse by Molmil](/molmil-images/mine/5fse) | 2.07 A resolution 1,4-Benzoquinone inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2016-01-04 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Inactivation of Urease by 1,4-Benzoquinone: Chemistry at the Protein Surface. Dalton Trans, 45, 2016
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7RC6
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![BU of 7rc6 by Molmil](/molmil-images/mine/7rc6) | Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34 | Descriptor: | Aeronamide A peptide, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | Deposit date: | 2021-07-07 | Release date: | 2022-03-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022
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6QGW
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![BU of 6qgw by Molmil](/molmil-images/mine/6qgw) | Crystal structure of E.coli BamA beta-barrel in complex with nanobody E6 | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, NanoE6, Outer membrane protein assembly factor BamA | Authors: | Hartmann, J.-B, Kaur, H, Jakob, R.P, Zahn, M, Zimmermann, I, Seeger, M, Maier, T, Hiller, S. | Deposit date: | 2019-01-14 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.938 Å) | Cite: | Identification of conformation-selective nanobodies against the membrane protein insertase BamA by an integrated structural biology approach. J.Biomol.Nmr, 73, 2019
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6GXG
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![BU of 6gxg by Molmil](/molmil-images/mine/6gxg) | Tryparedoxin from Trypanosoma brucei in complex with CFT | Descriptor: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Tryparedoxin | Authors: | Bader, N, Wagner, A, Hellmich, U, Schindelin, H. | Deposit date: | 2018-06-27 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. Angew. Chem. Int. Ed. Engl., 58, 2019
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7K6N
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![BU of 7k6n by Molmil](/molmil-images/mine/7k6n) | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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5UA2
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![BU of 5ua2 by Molmil](/molmil-images/mine/5ua2) | Mycobacterium tuberculosis KstR in complex with a 26-bp DNA operator | Descriptor: | DNA (5'-D(P*AP*CP*TP*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*GP*TP*TP*CP*TP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*AP*CP*TP*AP*GP*AP*AP*CP*GP*TP*GP*TP*TP*CP*TP*AP*AP*TP*AP*GP*T)-3'), HTH-type transcriptional repressor KstR, ... | Authors: | Ho, N.A.T, Dawes, S.S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2016-12-18 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9002 Å) | Cite: | Crystal structure of KstR in complex with cognate DNA operator To Be Published
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6Z4J
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6QHA
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![BU of 6qha by Molmil](/molmil-images/mine/6qha) | Crystal Structure of Human Kallikrein 6 in complex with GSK3205388B | Descriptor: | GLYCEROL, Kallikrein-6, UNKNOWN ATOM OR ION, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-16 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome. Bioorg. Med. Chem. Lett., 29, 2019
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6Z4W
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![BU of 6z4w by Molmil](/molmil-images/mine/6z4w) | FtsE structure from Streptococcus pneumoniae in complex with ADP (space group P 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE | Authors: | Alcorlo, M, Straume, D, Hermoso, J.A, Havarstein, L.S. | Deposit date: | 2020-05-26 | Release date: | 2020-09-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae. Mbio, 11, 2020
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8QLM
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![BU of 8qlm by Molmil](/molmil-images/mine/8qlm) | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 3 | Descriptor: | Oligopeptide-binding protein AliB, PRO-ILE-VAL-GLY-GLY-HIS-GLU-GLY-ALA-GLY-VAL | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | Deposit date: | 2023-09-20 | Release date: | 2024-05-22 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci. Plos Pathog., 20, 2024
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6H7N
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![BU of 6h7n by Molmil](/molmil-images/mine/6h7n) | ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST XAMOTEROL AND NANOBODY Nb6B9 | Descriptor: | Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, HEGA-10, ... | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2018-07-31 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis for high affinity agonist binding in GPCRs Biorxiv, 2018
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6QIH
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![BU of 6qih by Molmil](/molmil-images/mine/6qih) | |
6H1N
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![BU of 6h1n by Molmil](/molmil-images/mine/6h1n) | |
7JOY
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![BU of 7joy by Molmil](/molmil-images/mine/7joy) | |
8BF1
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![BU of 8bf1 by Molmil](/molmil-images/mine/8bf1) | |
7RC5
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![BU of 7rc5 by Molmil](/molmil-images/mine/7rc5) | Aeronamide N-methyltransferase, AerE (N231A) | Descriptor: | CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | Deposit date: | 2021-07-07 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022
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5FVN
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![BU of 5fvn by Molmil](/molmil-images/mine/5fvn) | X-ray crystal structure of Enterobacter cloacae OmpE36 porin. | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 3-HYDROXY-TETRADECANOIC ACID, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, ... | Authors: | Arunmanee, W, Pathania, M, Soloyova, A, Brun, A, Ridley, H, Basle, A, van den Berg, B, Lakey, J.H. | Deposit date: | 2016-02-09 | Release date: | 2016-08-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Gram-negative trimeric porins have specific LPS binding sites that are essential for porin biogenesis. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8BHE
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![BU of 8bhe by Molmil](/molmil-images/mine/8bhe) | K141H and S142H double mutant of hGSTA1-1 | Descriptor: | Glutathione S-transferase A1 | Authors: | Papageorgiou, A.C, Poudel, N. | Deposit date: | 2022-10-31 | Release date: | 2023-03-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A Key Role in Catalysis and Enzyme Thermostability of a Conserved Helix H5 Motif of Human Glutathione Transferase A1-1. Int J Mol Sci, 24, 2023
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6H1Q
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6GQL
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![BU of 6gql by Molmil](/molmil-images/mine/6gql) | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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7RC2
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![BU of 7rc2 by Molmil](/molmil-images/mine/7rc2) | Aeronamide N-methyltransferase, AerE | Descriptor: | CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | Deposit date: | 2021-07-07 | Release date: | 2022-03-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022
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5FWX
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![BU of 5fwx by Molmil](/molmil-images/mine/5fwx) | Crystal structure of the AMPA receptor GluA2/A4 N-terminal domain heterodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMATE RECEPTOR 2, GLUTAMATE RECEPTOR 4, ... | Authors: | Garcia-Nafria, J, Herguedas, B, Greger, I.H. | Deposit date: | 2016-02-21 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Organization of Heteromeric Ampa-Type Glutamate Receptors. Science, 352, 2016
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6QGM
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![BU of 6qgm by Molmil](/molmil-images/mine/6qgm) | VirX1 apo structure | Descriptor: | VirX1 | Authors: | Gkotsi, D.S, Ludewig, H, Sharma, S.V, Unsworth, W.P, Taylor, R.J.K, McLachlan, M.M.W, Shanahan, S, Naismith, J.H, Goss, R.J.M. | Deposit date: | 2019-01-11 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A marine viral halogenase that iodinates diverse substrates. Nat.Chem., 11, 2019
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6H1W
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![BU of 6h1w by Molmil](/molmil-images/mine/6h1w) | |