4B5D
| Capitella teleta AChBP in complex with psychonicline (3-((2(S)- Azetidinyl)methoxy)-5-((1S,2R)-2-(2-hydroxyethyl)cyclopropyl)pyridine) | Descriptor: | 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nys, M, Ulens, C. | Deposit date: | 2012-08-03 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Insights Into the Structural Determinants Required for High- Affinity Binding of Chiral Cyclopropane-Containing Ligands to Alpha4Beta2-Nicotinic Acetylcholine Receptors: An Integrated Approach to Behaviorally Active Nicotinic Ligands. J.Med.Chem., 55, 2012
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5AWJ
| Crystal structure of VDR-LBD/partial agonist complex: 22S-hexyl analogue | Descriptor: | (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor,Vitamin D3 receptor | Authors: | Anami, Y, Itoh, T, Inaba, Y, Nakabayashi, M, Ikura, T, Ito, N, Yamamoto, K. | Deposit date: | 2015-07-04 | Release date: | 2015-11-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity. Bioorg.Med.Chem., 23, 2015
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3JZR
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6YL5
| Crystal structure of the SAM-SAH riboswitch with SAH | Descriptor: | Chains: A,B,C,D,E,F,G,H,I,J,K,L, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2020-04-06 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch. Nucleic Acids Res., 2020
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6YMI
| Crystal structure of the SAM-SAH riboswitch with AMP. | Descriptor: | 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ADENOSINE MONOPHOSPHATE, Chains: A,C,F,I,M,O, ... | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2020-04-08 | Release date: | 2020-07-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch. Nucleic Acids Res., 48, 2020
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3JZS
| Human MDM2 liganded with a 12mer peptide inhibitor (pDIQ) | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer) | Authors: | Schonbrunn, E, Phan, J. | Deposit date: | 2009-09-24 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
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6PKW
| Cryo-EM structure of the zebrafish TRPM2 channel in the apo conformation, processed with C2 symmetry (pseudo C4 symmetry) | Descriptor: | Transient receptor potential cation channel subfamily M member 2 | Authors: | Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y. | Deposit date: | 2019-06-30 | Release date: | 2019-08-28 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel. Nat Commun, 10, 2019
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6YMJ
| Crystal structure of the SAM-SAH riboswitch with adenosine. | Descriptor: | 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ADENOSINE, Chains: A,C,F,I,M,O, ... | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2020-04-08 | Release date: | 2020-07-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch. Nucleic Acids Res., 48, 2020
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6YLB
| Crystal structure of the SAM-SAH riboswitch with SAM | Descriptor: | Chains: A,C,F,I,M,O, Chains: B,D,G,J,N,P, S-ADENOSYLMETHIONINE | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2020-04-07 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch. Nucleic Acids Res., 2020
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6YML
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6YMK
| Crystal structure of the SAM-SAH riboswitch with AMP | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chains: A,C,F,I,M,O, Chains: B,D,G,J,N,P, ... | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2020-04-08 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch. Nucleic Acids Res., 48, 2020
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6GBD
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6DME
| ppGpp Riboswitch bound to ppGpp, thallium acetate structure | Descriptor: | GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, THALLIUM (I) ION, ... | Authors: | Peselis, A, Serganov, A. | Deposit date: | 2018-06-05 | Release date: | 2018-11-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands. Nat. Chem. Biol., 14, 2018
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6DWN
| Structure of Human Cytochrome P450 1A1 with Erlotinib | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bart, A.G, Scott, E.E. | Deposit date: | 2018-06-26 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
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6PKV
| Cryo-EM structure of the zebrafish TRPM2 channel in the apo conformation, processed with C4 symmetry | Descriptor: | Transient receptor potential cation channel subfamily M member 2 | Authors: | Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y. | Deposit date: | 2019-06-30 | Release date: | 2019-08-28 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel. Nat Commun, 10, 2019
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6DLQ
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6DLT
| PRPP Riboswitch bound to PRPP, native structure | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, PRPP Riboswitch, ... | Authors: | Peselis, A, Serganov, A. | Deposit date: | 2018-06-02 | Release date: | 2018-11-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands. Nat. Chem. Biol., 14, 2018
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6DLS
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3QAA
| HIV-1 wild type protease with a substituted bis-Tetrahydrofuran inhibitor, GRL-044-10A | Descriptor: | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2011-01-10 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design of substituted bis-Tetrahydrofuran (bis-THF)-derived Potent HIV-1 Protease Inhibitors, Protein-ligand X-ray Structure, and Convenient Syntheses of bis-THF and Substituted bis-THF Ligands. ACS Med Chem Lett, 2, 2011
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6FIF
| Crystal structure of the BRI1 Gly644-Asp (bri1-6) mutant from Arabidopsis thaliana. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hothorn, M, Santiago, J, Hohmann, U. | Deposit date: | 2018-01-18 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Mechanistic basis for the activation of plant membrane receptor kinases by SERK-family coreceptors. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3RR4
| tRNA-Guanine Transglycosylase in complex with N-Methyl-lin-Benzoguanine Inhibitor | Descriptor: | 2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Klebe, G, Immekus, F, Heine, A. | Deposit date: | 2011-04-29 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters. Chemistry, 18, 2012
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3IO9
| BimL12Y in complex with Mcl-1 | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D. | Deposit date: | 2009-08-14 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands. J.Biol.Chem., 284, 2009
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4DBM
| Aplysia californica-AChBP in complex with triazole 18 | Descriptor: | (3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Soluble acetylcholine receptor, ... | Authors: | Nemecz, A, Yamauchi, J.G, Kim, C. | Deposit date: | 2012-01-16 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Generation of candidate ligands for nicotinic acetylcholine receptors via in situ click chemistry with a soluble acetylcholine binding protein template. J.Am.Chem.Soc., 134, 2012
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2P4J
| Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3 | Descriptor: | Beta-secretase 1, N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | Authors: | Hong, L, Ghosh, A.K, Tang, J. | Deposit date: | 2007-03-12 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. J.Med.Chem., 50, 2007
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2OKG
| Structure of effector binding domain of central glycolytic gene regulator (CggR) from B. subtilis | Descriptor: | CHLORIDE ION, Central glycolytic gene regulator, GLYCERALDEHYDE-3-PHOSPHATE | Authors: | Rezacova, P, Moy, S.F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-01-16 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of the effector-binding domain of repressor Central glycolytic gene Regulator from Bacillus subtilis reveal ligand-induced structural changes upon binding of several glycolytic intermediates. Mol.Microbiol., 69, 2008
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