7T3H
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![BU of 7t3h by Molmil](/molmil-images/mine/7t3h) | MicroED structure of Dynobactin | Descriptor: | TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE | Authors: | Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S. | Deposit date: | 2021-12-07 | Release date: | 2022-10-19 | Method: | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | Cite: | Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
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6Q6O
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4RBO
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![BU of 4rbo by Molmil](/molmil-images/mine/4rbo) | |
6Q7H
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6H3P
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6C2R
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![BU of 6c2r by Molmil](/molmil-images/mine/6c2r) | Aurora A ligand complex | Descriptor: | (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION | Authors: | Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S. | Deposit date: | 2018-01-08 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene. Cancer Discov, 9, 2019
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6HJW
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4ODE
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![BU of 4ode by Molmil](/molmil-images/mine/4ode) | Co-Crystal Structure of MDM2 with Inhibitor Compound 4 | Descriptor: | (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-10 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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2HD3
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![BU of 2hd3 by Molmil](/molmil-images/mine/2hd3) | Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli, NESG Target ER316 | Descriptor: | Ethanolamine utilization protein eutN | Authors: | Forouhar, F, Zhang, W, Jayaraman, S, Zhao, L, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-19 | Release date: | 2006-08-15 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional insights from structural genomics. J.STRUCT.FUNCT.GENOM., 8, 2007
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4NW6
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1GPR
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6Q6M
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1HEI
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5E89
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![BU of 5e89 by Molmil](/molmil-images/mine/5e89) | Crystal structure of Human galectin-3 CRD in complex with 3-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | Authors: | Collins, P.M, Blanchard, H. | Deposit date: | 2015-10-13 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition. Chembiochem, 17, 2016
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5E8A
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![BU of 5e8a by Molmil](/molmil-images/mine/5e8a) | Crystal structure of Human galectin-3 CRD in complex with 4-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor | Descriptor: | 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | Authors: | Collins, P.M, Blanchard, H. | Deposit date: | 2015-10-13 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition. Chembiochem, 17, 2016
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7UXU
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![BU of 7uxu by Molmil](/molmil-images/mine/7uxu) | CryoEM structure of the TIR domain from AbTir in complex with 3AD | Descriptor: | Molecular chaperone Tir, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Li, S, Nanson, J.D, Manik, M.K, Gu, W, Landsberg, M.J, Ve, T, Kobe, B. | Deposit date: | 2022-05-06 | Release date: | 2022-09-07 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science, 377, 2022
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5I89
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![BU of 5i89 by Molmil](/molmil-images/mine/5i89) | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790 | Descriptor: | (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ... | Authors: | Setser, J.W, Poy, F, Bellon, S.F. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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1HJI
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![BU of 1hji by Molmil](/molmil-images/mine/1hji) | BACTERIOPHAGE HK022 NUN-PROTEIN-NUTBOXB-RNA COMPLEX | Descriptor: | NUN-PROTEIN, RNA (5-R(P*GP*CP*CP*CP*UP*GP*AP*AP*AP*AP*AP*GP*GP*GP*C)-3) | Authors: | Faber, C, Schaerpf, M, Becker, T, Sticht, H, Roesch, P. | Deposit date: | 2001-01-15 | Release date: | 2002-01-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Structure of the Coliphage Hk022 Nun Protein-Lambda-Phage Boxb RNA Complex. Implications for the Mechanism of Transcription Termination J.Biol.Chem., 276, 2001
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5I83
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![BU of 5i83 by Molmil](/molmil-images/mine/5i83) | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986 | Descriptor: | (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein, THIOCYANATE ION | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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4PZ6
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3UBH
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![BU of 3ubh by Molmil](/molmil-images/mine/3ubh) | Crystal structure of Drosophila N-cadherin EC1-4 | Descriptor: | CALCIUM ION, Neural-cadherin | Authors: | Jin, X, Walker, M.A, Shapiro, L. | Deposit date: | 2011-10-24 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of Drosophila N-cadherin ectodomain regions reveal a widely used class of Ca2+-free interdomain linkers. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UBF
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![BU of 3ubf by Molmil](/molmil-images/mine/3ubf) | Crystal structure of Drosophila N-cadherin EC1-3, I | Descriptor: | CALCIUM ION, Neural-cadherin, ZINC ION | Authors: | Jin, X, Walker, M.A, Shapiro, L. | Deposit date: | 2011-10-24 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of Drosophila N-cadherin ectodomain regions reveal a widely used class of Ca2+-free interdomain linkers. Proc.Natl.Acad.Sci.USA, 109, 2012
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1ACA
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![BU of 1aca by Molmil](/molmil-images/mine/1aca) | THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN ACYL-COENZYME A BINDING PROTEIN AND PALMITOYL-COENZYME A | Descriptor: | ACYL-COENZYME A BINDING PROTEIN, COENZYME A, PALMITIC ACID | Authors: | Kragelund, B.B, Andersen, K.V, Madsen, J.C, Knudsen, J, Poulsen, F.M. | Deposit date: | 1992-11-17 | Release date: | 1994-01-31 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of the complex between acyl-coenzyme A binding protein and palmitoyl-coenzyme A. J.Mol.Biol., 230, 1993
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4NW5
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5E88
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![BU of 5e88 by Molmil](/molmil-images/mine/5e88) | Crystal structure of Human galectin-3 CRD in complex with thienyl-1,2,3-triazolyl thiodigalactoside inhibitor | Descriptor: | 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | Authors: | Collins, P.M, Blanchard, H. | Deposit date: | 2015-10-13 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition. Chembiochem, 17, 2016
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