4WWP
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![BU of 4wwp by Molmil](/molmil-images/mine/4wwp) | Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine | Descriptor: | GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ... | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2014-11-11 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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6W85
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![BU of 6w85 by Molmil](/molmil-images/mine/6w85) | K2P2.1 (TREK-1):ML335 complex, 200 mM K+ | Descriptor: | CADMIUM ION, DECANE, HEXADECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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4WOG
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![BU of 4wog by Molmil](/molmil-images/mine/4wog) | Crystal Structure of Frutalin from Artocarpus incisa | Descriptor: | Frutalin | Authors: | Pereira, H.M, Moreira, A.C.O.M, Vieira Neto, A.E, Moreno, F.B.M.B, Lobo, M.D.P, Sousa, F.D, Grangeiro, T.B, Moreira, R.A. | Deposit date: | 2014-10-15 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.813 Å) | Cite: | Crystal Structure of Frutalin from Artocarpus incisa To Be Published
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6GH1
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![BU of 6gh1 by Molmil](/molmil-images/mine/6gh1) | HLA-E*01:03 in complex with Mtb44 | Descriptor: | Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], MHC class I antigen, ... | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | Deposit date: | 2018-05-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding. Nat Commun, 9, 2018
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6CJ6
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![BU of 6cj6 by Molmil](/molmil-images/mine/6cj6) | Structure of the poxvirus protein F9 | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Diesterbeck, U.S, Gittis, A.G, Garboczi, D.N, Moss, B. | Deposit date: | 2018-02-26 | Release date: | 2019-03-06 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1 angstrom structure of protein F9 and its comparison to L1, two components of the conserved poxvirus entry-fusion complex. Sci Rep, 8, 2018
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6Q8P
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![BU of 6q8p by Molmil](/molmil-images/mine/6q8p) | Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine | Descriptor: | Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine | Authors: | Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-15 | Release date: | 2019-02-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis. Eur J Med Chem, 166, 2019
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6CJX
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![BU of 6cjx by Molmil](/molmil-images/mine/6cjx) | Crystal structure of a Fc fragment LALA mutant (L234A, L235A) of human IgG1 (crystal form 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of human IgG1 | Authors: | Van, V, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-02-27 | Release date: | 2019-03-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Antigen-Induced Allosteric Changes in a Human IgG1 Fc Increase Low-Affinity Fc gamma Receptor Binding. Structure, 2020
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6W88
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![BU of 6w88 by Molmil](/molmil-images/mine/6w88) | K2P2.1 (TREK-1):ML335 complex, 30 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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7K18
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![BU of 7k18 by Molmil](/molmil-images/mine/7k18) | Cardiac Sodium channel with toxin bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-like toxin Lqh3, ... | Authors: | Jiang, D, Catterall, W.A. | Deposit date: | 2020-09-07 | Release date: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for voltage-sensor trapping of the cardiac sodium channel by a deathstalker scorpion toxin. Nat Commun, 12, 2021
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6NOZ
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![BU of 6noz by Molmil](/molmil-images/mine/6noz) | |
6WAH
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![BU of 6wah by Molmil](/molmil-images/mine/6wah) | Crystal Structure of SmcR L139R from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION | Authors: | Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C. | Deposit date: | 2020-03-25 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences. Nucleic Acids Res., 49, 2021
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7AAS
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![BU of 7aas by Molmil](/molmil-images/mine/7aas) | Crystal structure of nitrosoglutathione reductase (GSNOR) from Chlamydomonas reinhardtii | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, S-(hydroxymethyl)glutathione dehydrogenase, ... | Authors: | Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D. | Deposit date: | 2020-09-04 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii. Redox Biol, 38, 2020
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7S4V
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![BU of 7s4v by Molmil](/molmil-images/mine/7s4v) | Cas9 bound to 12-14MM DNA, 60 min time-point, kinked conformation | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ... | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | Deposit date: | 2021-09-09 | Release date: | 2022-03-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9. Nature, 603, 2022
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5I34
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![BU of 5i34 by Molmil](/molmil-images/mine/5i34) | Adenylosuccinate synthetase from Cryptococcus neoformans complexed with GDP and IMP | Descriptor: | Adenylosuccinate synthetase, GUANOSINE-5'-DIPHOSPHATE, INOSINIC ACID | Authors: | Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B. | Deposit date: | 2016-02-09 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans. Acs Infect Dis., 2, 2016
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6X70
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![BU of 6x70 by Molmil](/molmil-images/mine/6x70) | Rev1-DNA Binary Complex | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*G)-3'), DNA repair protein REV1, ... | Authors: | Weaver, T.M, Freudenthal, B.D. | Deposit date: | 2020-05-29 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Visualizing Rev1 catalyze protein-template DNA synthesis. Proc.Natl.Acad.Sci.USA, 117, 2020
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8EVL
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![BU of 8evl by Molmil](/molmil-images/mine/8evl) | |
6X77
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![BU of 6x77 by Molmil](/molmil-images/mine/6x77) | Rev1 R518A Ternary Complex with dCTP and Ca2+ | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ... | Authors: | Weaver, T.M, Freudenthal, B.D. | Deposit date: | 2020-05-29 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Visualizing Rev1 catalyze protein-template DNA synthesis. Proc.Natl.Acad.Sci.USA, 117, 2020
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7ZF0
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![BU of 7zf0 by Molmil](/molmil-images/mine/7zf0) | Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile | Descriptor: | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE, 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, ... | Authors: | Putkaradze, N, Fredslund, F, Welner, D.H. | Deposit date: | 2022-03-31 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis. Plant J., 111, 2022
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7SKR
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![BU of 7skr by Molmil](/molmil-images/mine/7skr) | BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor 37 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide, ... | Authors: | Durie, I, Shepard, J, Freitas, B, O'Boyle, B, Enos, S, Pegan, S.D. | Deposit date: | 2021-10-21 | Release date: | 2022-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses. Acs Infect Dis., 8, 2022
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8EWX
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![BU of 8ewx by Molmil](/molmil-images/mine/8ewx) | |
6GHN
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![BU of 6ghn by Molmil](/molmil-images/mine/6ghn) | HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P9-Phe. | Descriptor: | ARG-LEU-PRO-ALA-LYS-ALA-PRO-LEU-PHE, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | Deposit date: | 2018-05-08 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.542 Å) | Cite: | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding. Nat Commun, 9, 2018
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8EV5
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![BU of 8ev5 by Molmil](/molmil-images/mine/8ev5) | NlpC B3 covalently bound with E64 inhibitor fragment | Descriptor: | Clan CA, family C40, NlpC/P60 superfamily cysteine peptidase, ... | Authors: | Barnett, M.J, Goldstone, D.C. | Deposit date: | 2022-10-19 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | NlpC/P60 peptidoglycan hydrolases of Trichomonas vaginalis have complementary activities that empower the protozoan to control host-protective lactobacilli. Plos Pathog., 19, 2023
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8EYT
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![BU of 8eyt by Molmil](/molmil-images/mine/8eyt) | 30S_delta_ksgA+KsgA complex | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Sun, J, Kinman, L.F, Jahagirdar, D, Ortega, J, Davis, J.H. | Deposit date: | 2022-10-28 | Release date: | 2023-09-06 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | KsgA facilitates ribosomal small subunit maturation by proofreading a key structural lesion. Nat.Struct.Mol.Biol., 30, 2023
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8ES6
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![BU of 8es6 by Molmil](/molmil-images/mine/8es6) | |
7ACA
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![BU of 7aca by Molmil](/molmil-images/mine/7aca) | CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Kessler, D. | Deposit date: | 2020-09-10 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 To Be Published
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