1CPX
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3FUR
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![BU of 3fur by Molmil](/molmil-images/mine/3fur) | Crystal Structure of PPARg in complex with INT131 | Descriptor: | 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... | Authors: | Wang, Z, Liu, J, Walker, N. | Deposit date: | 2009-01-14 | Release date: | 2009-06-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | INT131: a selective modulator of PPAR gamma. J.Mol.Biol., 386, 2009
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2BYS
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![BU of 2bys by Molmil](/molmil-images/mine/2bys) | CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA IN complex with lobeline | Descriptor: | ACETYLCHOLINE-BINDING PROTEIN, LOBELINE | Authors: | Hansen, S.B, Sulzenbacher, G, Huxford, T, Marchot, P, Taylor, P, Bourne, Y. | Deposit date: | 2005-08-04 | Release date: | 2005-10-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations. Embo J., 24, 2005
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2BYN
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![BU of 2byn by Molmil](/molmil-images/mine/2byn) | Crystal structure of apo AChBP from Aplysia californica | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PENTAETHYLENE GLYCOL, SOLUBLE ACETYLCHOLINE RECEPTOR, ... | Authors: | Hansen, S.B, Sulzenbacher, G, Huxford, T, Marchot, P, Taylor, P, Bourne, Y. | Deposit date: | 2005-08-03 | Release date: | 2005-10-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations. Embo J., 24, 2005
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6CZI
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![BU of 6czi by Molmil](/molmil-images/mine/6czi) | Structure of a redesigned beta barrel, mFAP1, bound to DFHBI | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1 | Authors: | Doyle, L.A, Stoddard, B.L. | Deposit date: | 2018-04-09 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
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7T1Y
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![BU of 7t1y by Molmil](/molmil-images/mine/7t1y) | Structure of the Fbw7-Skp1-MycCdegron complex | Descriptor: | F-box/WD repeat-containing protein 7, Myc proto-oncogene protein C terminal degron, S-phase kinase-associated protein 1, ... | Authors: | Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N. | Deposit date: | 2021-12-02 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor. Sci Adv, 8, 2022
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8SO2
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![BU of 8so2 by Molmil](/molmil-images/mine/8so2) | Human CYP3A4 bound to a substrate | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2023-04-28 | Release date: | 2023-08-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding. J.Biol.Chem., 299, 2023
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8SO1
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![BU of 8so1 by Molmil](/molmil-images/mine/8so1) | Human CYP3A4 bound to three caffeine molecules | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2023-04-28 | Release date: | 2023-08-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding. J.Biol.Chem., 299, 2023
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4I36
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![BU of 4i36 by Molmil](/molmil-images/mine/4i36) | Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A | Descriptor: | 6-phosphofructokinase | Authors: | Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | Deposit date: | 2012-11-25 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase. Biochemistry, 52, 2013
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2NNJ
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![BU of 2nnj by Molmil](/molmil-images/mine/2nnj) | CYP2C8dH complexed with felodipine | Descriptor: | Cytochrome P450 2C8, FELODIPINE, PALMITIC ACID, ... | Authors: | Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F. | Deposit date: | 2006-10-24 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid. J.Biol.Chem., 283, 2008
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3WSO
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![BU of 3wso by Molmil](/molmil-images/mine/3wso) | Crystal structure of the Skp1-FBG3 complex | Descriptor: | F-box only protein 44, S-phase kinase-associated protein 1 | Authors: | Kumanomidou, T, Nishio, K, Takagi, K, Nakagawa, T, Suzuki, A, Yamane, T, Tokunaga, F, Iwai, K, Murakami, A, Yoshida, Y, Tanaka, K, Mizushima, T. | Deposit date: | 2014-03-18 | Release date: | 2015-03-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Structural Differences between a Glycoprotein Specific F-Box Protein Fbs1 and Its Homologous Protein FBG3 Plos One, 10, 2015
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3C84
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![BU of 3c84 by Molmil](/molmil-images/mine/3c84) | Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid | Descriptor: | ISOPROPYL ALCOHOL, MAGNESIUM ION, Soluble acetylcholine receptor, ... | Authors: | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | Deposit date: | 2008-02-08 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3WSR
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![BU of 3wsr by Molmil](/molmil-images/mine/3wsr) | Crystal structure of CLEC-2 in complex with O-glycosylated podoplanin | Descriptor: | C-type lectin domain family 1 member B, Peptide from Podoplanin, beta-D-galactopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-galactopyranose | Authors: | Nagae, M, Morita-Matsumoto, K, Kato, M, Kato-Kaneko, M, Kato, Y, Yamaguchi, Y. | Deposit date: | 2014-03-20 | Release date: | 2014-10-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A Platform of C-type Lectin-like Receptor CLEC-2 for Binding O-Glycosylated Podoplanin and Nonglycosylated Rhodocytin Structure, 22, 2014
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2O5Y
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6YKK
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![BU of 6ykk by Molmil](/molmil-images/mine/6ykk) | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 15 | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2020-04-06 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.236 Å) | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
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6YKV
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![BU of 6ykv by Molmil](/molmil-images/mine/6ykv) | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11g | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2020-04-06 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
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6YKO
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![BU of 6yko by Molmil](/molmil-images/mine/6yko) | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11a | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2020-04-06 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
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2NNH
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![BU of 2nnh by Molmil](/molmil-images/mine/2nnh) | CYP2C8dH complexed with 2 molecules of 9-cis retinoic acid | Descriptor: | (9cis)-retinoic acid, Cytochrome P450 2C8, PALMITIC ACID, ... | Authors: | Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F. | Deposit date: | 2006-10-24 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid. J.Biol.Chem., 283, 2008
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3MS3
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![BU of 3ms3 by Molmil](/molmil-images/mine/3ms3) | Crystal structure of Thermolysin in complex with Aniline | Descriptor: | ANILINE, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Behnen, J, Heine, A, Klebe, G. | Deposit date: | 2010-04-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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3MSA
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![BU of 3msa by Molmil](/molmil-images/mine/3msa) | Crystal structure of Thermolysin in complex with 3-Bromophenol | Descriptor: | 3-bromophenol, CALCIUM ION, GLYCEROL, ... | Authors: | Behnen, J, Heine, A, Klebe, G. | Deposit date: | 2010-04-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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4B2H
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![BU of 4b2h by Molmil](/molmil-images/mine/4b2h) | COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS | Descriptor: | 3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid, CHLORIDE ION, DODECIN, ... | Authors: | Yu, Y, Heidel, B, Parapugna, T.L, Wenderhold-Reeb, S, Song, B, Schoenherr, H, Grininger, M, Noell, G. | Deposit date: | 2012-07-16 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Flavoprotein Dodecin as a Redox Probe for Electron Transfer Through DNA. Angew.Chem.Int.Ed.Engl., 52, 2013
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443D
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![BU of 443d by Molmil](/molmil-images/mine/443d) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'/ BENZIMIDAZOLE DERIVATIVE COMPLEX | Descriptor: | 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | Deposit date: | 1999-01-14 | Release date: | 2000-02-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design. Nucleic Acids Res., 28, 2000
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2QFS
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![BU of 2qfs by Molmil](/molmil-images/mine/2qfs) | E.coli EPSP synthase Pro101Ser liganded with S3P | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | Authors: | Schonbrunn, E, Healy-Fried, M.L. | Deposit date: | 2007-06-28 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase. J.Biol.Chem., 282, 2007
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8JIP
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![BU of 8jip by Molmil](/molmil-images/mine/8jip) | Cryo-EM structure of the GLP-1R/GCGR dual agonist MEDI0382-bound human GLP-1R-Gs complex | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T. | Deposit date: | 2023-05-27 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural analysis of the dual agonism at GLP-1R and GCGR. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JIR
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![BU of 8jir by Molmil](/molmil-images/mine/8jir) | Cryo-EM structure of the GLP-1R/GCGR dual agonist SAR425899-bound human GLP-1R-Gs complex | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T. | Deposit date: | 2023-05-27 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structural analysis of the dual agonism at GLP-1R and GCGR. Proc.Natl.Acad.Sci.USA, 120, 2023
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