5UJ2
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![BU of 5uj2 by Molmil](/molmil-images/mine/5uj2) | Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU | Descriptor: | (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ... | Authors: | Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E. | Deposit date: | 2017-01-16 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties. Bioorg. Med. Chem. Lett., 27, 2017
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2GNF
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![BU of 2gnf by Molmil](/molmil-images/mine/2gnf) | Protein kinase A fivefold mutant model of Rho-kinase with Y-27632 | Descriptor: | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | Deposit date: | 2006-04-10 | Release date: | 2006-05-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity J.Biol.Chem., 281, 2006
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6CLD
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![BU of 6cld by Molmil](/molmil-images/mine/6cld) | 1.01 A MicroED structure of GSNQNNF at 0.81 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLK
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![BU of 6clk by Molmil](/molmil-images/mine/6clk) | 1.01 A MicroED structure of GSNQNNF at 0.82 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLS
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![BU of 6cls by Molmil](/molmil-images/mine/6cls) | 1.46 A MicroED structure of GSNQNNF at 3.4 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.46 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6D26
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![BU of 6d26 by Molmil](/molmil-images/mine/6d26) | Crystal structure of the prostaglandin D2 receptor CRTH2 with fevipiprant | Descriptor: | OLEIC ACID, Prostaglandin D2 receptor 2, Endolysin chimera, ... | Authors: | Wang, L, Yao, D, Deepak, K, Liu, H, Gong, W, Fan, H, Wei, Z, Zhang, C. | Deposit date: | 2018-04-13 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | Structures of the Human PGD2Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition. Mol. Cell, 72, 2018
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7Y5Y
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![BU of 7y5y by Molmil](/molmil-images/mine/7y5y) | X-ray Structure of Stay-Green (SGR) from Anaerolineae bacterium. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ... | Authors: | Dey, D, Nishijima, M, Kurisu, G, Tanaka, H, Ito, H. | Deposit date: | 2022-06-18 | Release date: | 2022-10-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure and reaction mechanism of a bacterial Mg-dechelatase homolog from the Chloroflexi Anaerolineae. Protein Sci., 31, 2022
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7GPB
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![BU of 7gpb by Molmil](/molmil-images/mine/7gpb) | STRUCTURAL MECHANISM FOR GLYCOGEN PHOSPHORYLASE CONTROL BY PHOSPHORYLATION AND AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Barford, D, Hu, S.-H, Johnson, L.N. | Deposit date: | 1990-11-13 | Release date: | 1992-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural mechanism for glycogen phosphorylase control by phosphorylation and AMP. J.Mol.Biol., 218, 1991
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5QU1
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![BU of 5qu1 by Molmil](/molmil-images/mine/5qu1) | Crystal Structure of the monomeric human Nck SH3.1 domain, triclinic, 1.08A | Descriptor: | Cytoplasmic protein NCK1, SULFATE ION | Authors: | Burger, D, Ruf, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2019-12-13 | Release date: | 2020-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain. J.Biol.Chem., 295, 2020
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5QU5
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![BU of 5qu5 by Molmil](/molmil-images/mine/5qu5) | Domain Swap in the first SH3 domain of human Nck1 | Descriptor: | Cytoplasmic protein NCK1 | Authors: | Burger, D, Ruf, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2019-12-13 | Release date: | 2020-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain. J.Biol.Chem., 295, 2020
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7M30
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![BU of 7m30 by Molmil](/molmil-images/mine/7m30) | |
7M22
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![BU of 7m22 by Molmil](/molmil-images/mine/7m22) | |
7Y5X
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![BU of 7y5x by Molmil](/molmil-images/mine/7y5x) | CryoEM structure of PS2-containing gamma-secretase treated with MRK-560 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560. Nat Commun, 13, 2022
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6CL7
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![BU of 6cl7 by Molmil](/molmil-images/mine/6cl7) | 1.71 A MicroED structure of proteinase K at 0.86 e- / A^2 | Descriptor: | Proteinase K | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | ELECTRON CRYSTALLOGRAPHY (1.71 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLE
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![BU of 6cle by Molmil](/molmil-images/mine/6cle) | 1.01 A MicroED structure of GSNQNNF at 1.3 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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7Y5T
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![BU of 7y5t by Molmil](/molmil-images/mine/7y5t) | CryoEM structure of PS1-containing gamma-secretase in complex with MRK-560 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560. Nat Commun, 13, 2022
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6CLM
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![BU of 6clm by Molmil](/molmil-images/mine/6clm) | 1.01 A MicroED structure of GSNQNNF at 1.5 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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2GNG
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![BU of 2gng by Molmil](/molmil-images/mine/2gng) | Protein kinase A fivefold mutant model of Rho-kinase | Descriptor: | cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, alpha-catalytic subunit | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | Deposit date: | 2006-04-10 | Release date: | 2006-05-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity J.Biol.Chem., 281, 2006
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7Y5Z
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![BU of 7y5z by Molmil](/molmil-images/mine/7y5z) | CryoEM structure of human PS2-containing gamma-secretase | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | Deposit date: | 2022-06-18 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560. Nat Commun, 13, 2022
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6CRT
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![BU of 6crt by Molmil](/molmil-images/mine/6crt) | Arg65Gln Mutagenic E.coli PCK | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase (ATP) | Authors: | Sokaribo, A.S, Cotelesage, J.H, Novakovski, B, Goldie, H, Sanders, D. | Deposit date: | 2018-03-19 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Arg65Gln Mutagenic E.coli PCK To Be Published
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7XRR
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![BU of 7xrr by Molmil](/molmil-images/mine/7xrr) | Crystal structure of the human OX2R bound to the insomnia drug lemborexant. | Descriptor: | (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, Orexin receptor type 2 | Authors: | Asada, H, Im, D, Iwata, S. | Deposit date: | 2022-05-11 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Molecular basis for anti-insomnia drug design from structure of lemborexant-bound orexin 2 receptor. Structure, 30, 2022
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6CZV
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![BU of 6czv by Molmil](/molmil-images/mine/6czv) | BRD4(BD1) complexed with 2759 | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2018-04-09 | Release date: | 2018-09-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine. J. Med. Chem., 61, 2018
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7YL3
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![BU of 7yl3 by Molmil](/molmil-images/mine/7yl3) | Structure of hIAPP-TF-type1 | Descriptor: | Islet amyloid polypeptide | Authors: | Li, D, Zhang, X, Wang, Y, Zhu, P. | Deposit date: | 2022-07-25 | Release date: | 2022-12-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A new polymorphism of human amylin fibrils with similar protofilaments and a conserved core. Iscience, 25, 2022
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6CMQ
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![BU of 6cmq by Molmil](/molmil-images/mine/6cmq) | Structure of human SHP2 without N-SH2 domain | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | Deposit date: | 2018-03-06 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. Nat Commun, 9, 2018
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7YL0
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![BU of 7yl0 by Molmil](/molmil-images/mine/7yl0) | Structure of hIAPP-TF-type2 | Descriptor: | Islet amyloid polypeptide | Authors: | Li, D, Zhang, X, Wang, Y, Zhu, P. | Deposit date: | 2022-07-25 | Release date: | 2022-12-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A new polymorphism of human amylin fibrils with similar protofilaments and a conserved core. Iscience, 25, 2022
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