7W0G
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![BU of 7w0g by Molmil](/molmil-images/mine/7w0g) | Human PPAR delta ligand binding domain in complex with a synthetic agonist H11 | Descriptor: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | Deposit date: | 2021-11-18 | Release date: | 2022-02-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.443 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis. J.Med.Chem., 65, 2022
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3C4C
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![BU of 3c4c by Molmil](/molmil-images/mine/3c4c) | B-Raf Kinase in Complex with PLX4720 | Descriptor: | B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | Authors: | Zhang, K.Y.J, Wang, W. | Deposit date: | 2008-01-29 | Release date: | 2008-02-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity Proc.Natl.Acad.Sci.Usa, 105, 2008
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7MOY
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![BU of 7moy by Molmil](/molmil-images/mine/7moy) | Structure of HDAC2 in complex with an inhibitor (compound 19) | Descriptor: | (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MOT
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![BU of 7mot by Molmil](/molmil-images/mine/7mot) | Structure of HDAC2 in complex with an inhibitor (compound 9) | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MOS
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![BU of 7mos by Molmil](/molmil-images/mine/7mos) | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4) | Descriptor: | (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MOX
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![BU of 7mox by Molmil](/molmil-images/mine/7mox) | Structure of HDAC2 in complex with an inhibitor (compound 14) | Descriptor: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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3C4E
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![BU of 3c4e by Molmil](/molmil-images/mine/3c4e) | Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole | Descriptor: | IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Zhang, K.Y.J, Wang, W. | Deposit date: | 2008-01-29 | Release date: | 2008-02-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity Proc.Natl.Acad.Sci.Usa, 105, 2008
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5TBP
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![BU of 5tbp by Molmil](/molmil-images/mine/5tbp) | Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003 | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X. | Deposit date: | 2016-09-12 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha. Nat Commun, 8, 2017
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4XMO
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![BU of 4xmo by Molmil](/molmil-images/mine/4xmo) | Crystal structure of c-Met in complex with (R)-5-(8-fluoro-3-(1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole | Descriptor: | 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline, Hepatocyte growth factor receptor | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2015-01-14 | Release date: | 2015-03-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors. J.Med.Chem., 58, 2015
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3C4F
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![BU of 3c4f by Molmil](/molmil-images/mine/3c4f) | |
4XYF
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![BU of 4xyf by Molmil](/molmil-images/mine/4xyf) | Crystal structure of c-Met in complex with (S)-5-(8-fluoro-3-(1-(3-(2-methoxyethoxy)quinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole | Descriptor: | 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline, Hepatocyte growth factor receptor | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2015-02-02 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors. J.Med.Chem., 58, 2015
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7MOZ
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![BU of 7moz by Molmil](/molmil-images/mine/7moz) | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25) | Descriptor: | (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name), CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.543 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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2K07
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![BU of 2k07 by Molmil](/molmil-images/mine/2k07) | Solution NMR structure of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1). Northeast Structural Genomics Consortium target HR41 | Descriptor: | Ufm1-conjugating enzyme 1 | Authors: | Liu, G, Eletsky, A, Atreya, H.S, Aramini, J.M, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-01-25 | Release date: | 2008-02-19 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR and X-RAY structures of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1) reveal structural and functional conservation in the metazoan UFM1-UBA5-UFC1 ubiquination pathway. J.STRUCT.FUNCT.GENOM., 10, 2009
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8IM0
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![BU of 8im0 by Molmil](/molmil-images/mine/8im0) | mCherry-LaM8 complex | Descriptor: | LaM8, MCherry fluorescent protein | Authors: | Liang, H, Liu, R, Ding, Y. | Deposit date: | 2023-03-05 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies. Int J Mol Sci, 24, 2023
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7VWV
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![BU of 7vwv by Molmil](/molmil-images/mine/7vwv) | |
3WDO
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![BU of 3wdo by Molmil](/molmil-images/mine/3wdo) | Structure of E. coli YajR transporter | Descriptor: | MFS Transporter | Authors: | Jiang, D. | Deposit date: | 2013-06-19 | Release date: | 2013-08-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structure of the YajR transporter suggests a transport mechanism based on the conserved motif A Proc.Natl.Acad.Sci.USA, 110, 2013
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5Z9R
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![BU of 5z9r by Molmil](/molmil-images/mine/5z9r) | |
7JG5
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![BU of 7jg5 by Molmil](/molmil-images/mine/7jg5) | Cryo-EM structure of bedaquiline-free Mycobacterium smegmatis ATP synthase rotational state 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Guo, H, Courbon, G.M, Rubinstein, J.L. | Deposit date: | 2020-07-18 | Release date: | 2020-08-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline. Nature, 589, 2021
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7JGC
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![BU of 7jgc by Molmil](/molmil-images/mine/7jgc) | Cryo-EM structure of bedaquiline-saturated Mycobacterium smegmatis ATP synthase FO region | Descriptor: | ATP synthase subunit a, ATP synthase subunit b, ATP synthase subunit b-delta, ... | Authors: | Guo, H, Courbon, G.M, Rubinstein, J.L. | Deposit date: | 2020-07-18 | Release date: | 2020-08-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline. Nature, 589, 2021
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7JG9
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![BU of 7jg9 by Molmil](/molmil-images/mine/7jg9) | Cryo-EM structure of bedaquiline-saturated mycobacterium smegmatis ATP synthase rotational state 2 (backbone model) | Descriptor: | ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ... | Authors: | Guo, H, Courbon, G.M, Rubinstein, J.L. | Deposit date: | 2020-07-18 | Release date: | 2020-08-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline. Nature, 589, 2021
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7NHR
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![BU of 7nhr by Molmil](/molmil-images/mine/7nhr) | |
7NIH
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![BU of 7nih by Molmil](/molmil-images/mine/7nih) | Wzc-K540M MgADP C8 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative transmembrane protein Wzc | Authors: | Naismith, J.H, Liu, J.W, Yang, Y. | Deposit date: | 2021-02-12 | Release date: | 2021-08-25 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | The molecular basis of regulation of bacterial capsule assembly by Wzc. Nat Commun, 12, 2021
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7NHS
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![BU of 7nhs by Molmil](/molmil-images/mine/7nhs) | Wzc K540M C8 | Descriptor: | Putative transmembrane protein Wzc | Authors: | Naismith, J.H, Liu, J.W, Yang, Y. | Deposit date: | 2021-02-11 | Release date: | 2021-08-25 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | The molecular basis of regulation of bacterial capsule assembly by Wzc. Nat Commun, 12, 2021
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7NII
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![BU of 7nii by Molmil](/molmil-images/mine/7nii) | Wzc-K540M MgADP C1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative transmembrane protein Wzc | Authors: | Naismith, J.H, Liu, J.W, Yang, Y. | Deposit date: | 2021-02-12 | Release date: | 2021-08-25 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | The molecular basis of regulation of bacterial capsule assembly by Wzc. Nat Commun, 12, 2021
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7NI2
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![BU of 7ni2 by Molmil](/molmil-images/mine/7ni2) | Wzc-K540M-4YE C8 | Descriptor: | Tyrosine-protein kinase | Authors: | Naismith, J.H, Liu, J.W, Yang, Y. | Deposit date: | 2021-02-11 | Release date: | 2021-08-25 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | The molecular basis of regulation of bacterial capsule assembly by Wzc. Nat Commun, 12, 2021
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