8DYH
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![BU of 8dyh by Molmil](/molmil-images/mine/8dyh) | IL17A homodimer bound to Compound 6 | Descriptor: | (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8DYI
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![BU of 8dyi by Molmil](/molmil-images/mine/8dyi) | IL17A homodimer bound to Compound 5 | Descriptor: | (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8DYF
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![BU of 8dyf by Molmil](/molmil-images/mine/8dyf) | IL17A homodimer bound to Compound 10 | Descriptor: | (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8DYG
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![BU of 8dyg by Molmil](/molmil-images/mine/8dyg) | IL17A homodimer bound to Compound 7 | Descriptor: | (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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7RI5
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![BU of 7ri5 by Molmil](/molmil-images/mine/7ri5) | Structure of a BAM in MSP1E3D1 nanodiscs at 4 Angstrom resolution | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Wu, R.R, Noinaj, N. | Deposit date: | 2021-07-19 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nat Commun, 12, 2021
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7RJ5
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![BU of 7rj5 by Molmil](/molmil-images/mine/7rj5) | The structure of BAM in complex with EspP at 7 Angstrom resolution | Descriptor: | Maltodextrin-binding protein,Autotransporter outer membrane beta-barrel domain-containing protein chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Wu, R.R, Noinaj, N. | Deposit date: | 2021-07-20 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nat Commun, 12, 2021
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7RI6
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![BU of 7ri6 by Molmil](/molmil-images/mine/7ri6) | |
7RI4
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![BU of 7ri4 by Molmil](/molmil-images/mine/7ri4) | Structure of a BAM/EspP(beta9-12) hybrid-barrel intermediate | Descriptor: | EspPbeta9-12, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Wu, R.R, Noinaj, N. | Deposit date: | 2021-07-19 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nat Commun, 12, 2021
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7RI7
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![BU of 7ri7 by Molmil](/molmil-images/mine/7ri7) | The structure of BAM in MSP1D1 nanodiscs | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Wu, R.R, Noinaj, N. | Deposit date: | 2021-07-19 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nat Commun, 12, 2021
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7RI9
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![BU of 7ri9 by Molmil](/molmil-images/mine/7ri9) | The structure of BAM in MSP1E3D1 at 6.9 Angstrom resolution | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Wu, R.R, Noinaj, N. | Deposit date: | 2021-07-19 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nat Commun, 12, 2021
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7RI8
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![BU of 7ri8 by Molmil](/molmil-images/mine/7ri8) | The structure of BAM in MSP2N2 nanodiscs | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Wu, R.R, Noinaj, N. | Deposit date: | 2021-07-19 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nat Commun, 12, 2021
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2X6D
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![BU of 2x6d by Molmil](/molmil-images/mine/2x6d) | Aurora-A bound to an inhibitor | Descriptor: | 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-02-17 | Release date: | 2010-07-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J. Med. Chem., 53, 2010
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2X6E
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![BU of 2x6e by Molmil](/molmil-images/mine/2x6e) | Aurora-A bound to an inhibitor | Descriptor: | 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-02-17 | Release date: | 2010-07-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J. Med. Chem., 53, 2010
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2XNG
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![BU of 2xng by Molmil](/molmil-images/mine/2xng) | Structure of Aurora-A bound to a selective imidazopyrazine inhibitor | Descriptor: | N-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-08-02 | Release date: | 2010-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells. Bioorg. Med. Chem. Lett., 20, 2010
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2XNE
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![BU of 2xne by Molmil](/molmil-images/mine/2xne) | Structure of Aurora-A bound to an imidazopyrazine inhibitor | Descriptor: | 3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-08-02 | Release date: | 2010-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells. Bioorg. Med. Chem. Lett., 20, 2010
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8EJB
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![BU of 8ejb by Molmil](/molmil-images/mine/8ejb) | |
3O2M
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![BU of 3o2m by Molmil](/molmil-images/mine/3o2m) | |
5D9Y
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![BU of 5d9y by Molmil](/molmil-images/mine/5d9y) | Crystal structure of TET2-5fC complex | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*TP*(5FC)P*GP*AP*AP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*TP*TP*CP*GP*AP*CP*AP*GP*T)-3'), FE (III) ION, ... | Authors: | Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y. | Deposit date: | 2015-08-19 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.971 Å) | Cite: | Structural insight into substrate preference for TET-mediated oxidation. Nature, 527, 2015
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3O17
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![BU of 3o17 by Molmil](/molmil-images/mine/3o17) | Crystal Structure of JNK1-alpha1 isoform | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2010-07-20 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of JNK1-alpha1 isoform TO BE PUBLISHED
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5DEU
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![BU of 5deu by Molmil](/molmil-images/mine/5deu) | Crystal structure of TET2-5hmC complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA (5'-D(*AP*CP*CP*AP*CP*(5HC)P*GP*GP*TP*GP*GP*T)-3'), ... | Authors: | Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y. | Deposit date: | 2015-08-26 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural insight into substrate preference for TET-mediated oxidation. Nature, 527, 2015
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5TFR
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![BU of 5tfr by Molmil](/molmil-images/mine/5tfr) | Crystal structure of Zika Virus NS5 protein | Descriptor: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | Authors: | Longenecker, K.L, Upadhyay, A.K. | Deposit date: | 2016-09-26 | Release date: | 2016-10-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of full-length Zika virus NS5 protein reveals a conformation similar to Japanese encephalitis virus NS5. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5U8F
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![BU of 5u8f by Molmil](/molmil-images/mine/5u8f) | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | Descriptor: | (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | Authors: | Jakob, C.G, Zhu, H. | Deposit date: | 2016-12-14 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.343 Å) | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg. Med. Chem. Lett., 27, 2017
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5U69
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![BU of 5u69 by Molmil](/molmil-images/mine/5u69) | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine | Descriptor: | (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | Authors: | Jakob, C.G, Zhu, H. | Deposit date: | 2016-12-07 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg. Med. Chem. Lett., 27, 2017
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5U8A
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![BU of 5u8a by Molmil](/molmil-images/mine/5u8a) | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | Descriptor: | (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | Authors: | Jakob, C.G, Zhu, H. | Deposit date: | 2016-12-14 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg. Med. Chem. Lett., 27, 2017
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5U6D
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![BU of 5u6d by Molmil](/molmil-images/mine/5u6d) | |