6BNA
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![BU of 6bna by Molmil](/molmil-images/mine/6bna) | BINDING OF AN ANTITUMOR DRUG TO DNA. NETROPSIN AND C-G-C-G-A-A-T-T-BRC-G-C-G | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(CBR)P*GP*CP*G)-3'), NETROPSIN | Authors: | Kopka, M.L, Yoon, C, Goodsell, D, Pjura, P, Dickerson, R.E. | Deposit date: | 1984-08-30 | Release date: | 1984-10-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Binding of an antitumor drug to DNA, Netropsin and C-G-C-G-A-A-T-T-BrC-G-C-G. J.Mol.Biol., 183, 1985
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6Q5Y
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8Q0S
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![BU of 8q0s by Molmil](/molmil-images/mine/8q0s) | X-ray structure of the single chain monellin derivative MNEI | Descriptor: | ACETATE ION, GLYCEROL, Monellin chain B,Monellin chain A, ... | Authors: | Ferraro, G, Merlino, A, Lucignano, R, Picone, D. | Deposit date: | 2023-07-29 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structural insights and aggregation propensity of a super-stable monellin mutant: A new potential building block for protein-based nanostructured materials. Int.J.Biol.Macromol., 254, 2024
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7OSE
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![BU of 7ose by Molmil](/molmil-images/mine/7ose) | cytochrome bd-II type oxidase with bound aurachin D | Descriptor: | Aurachin D, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-II ubiquinol oxidase subunit 1, ... | Authors: | Grauel, A, Kaegi, J, Rasmussen, T, Wohlwend, D, Boettcher, B, Friedrich, T. | Deposit date: | 2021-06-08 | Release date: | 2021-11-17 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of Escherichia coli cytochrome bd-II type oxidase with bound aurachin D. Nat Commun, 12, 2021
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3UXA
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![BU of 3uxa by Molmil](/molmil-images/mine/3uxa) | Designed protein KE59 R1 7/10H | Descriptor: | Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-05 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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1AD1
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![BU of 1ad1 by Molmil](/molmil-images/mine/1ad1) | DIHYDROPTEROATE SYNTHETASE (APO FORM) FROM STAPHYLOCOCCUS AUREUS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIHYDROPTEROATE SYNTHETASE, POTASSIUM ION | Authors: | Kostrewa, D, Oefner, C, D'Arcy, A. | Deposit date: | 1997-02-19 | Release date: | 1998-04-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and function of the dihydropteroate synthase from Staphylococcus aureus. J.Mol.Biol., 268, 1997
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8QQI
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1AD4
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1AH4
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![BU of 1ah4 by Molmil](/molmil-images/mine/1ah4) | PIG ALDOSE REDUCTASE, HOLO FORM | Descriptor: | ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Moras, D, Podjarny, A. | Deposit date: | 1997-04-12 | Release date: | 1998-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A 'specificity' pocket inferred from the crystal structures of the complexes of aldose reductase with the pharmaceutically important inhibitors tolrestat and sorbinil. Structure, 5, 1997
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8RPO
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![BU of 8rpo by Molmil](/molmil-images/mine/8rpo) | BFL1 in complex with a reversible covalent ligand | Descriptor: | (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1 | Authors: | Hargreaves, D. | Deposit date: | 2024-01-16 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen. Acs Med.Chem.Lett., 15, 2024
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6S0L
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![BU of 6s0l by Molmil](/molmil-images/mine/6s0l) | Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | Deposit date: | 2019-06-17 | Release date: | 2020-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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3MHM
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![BU of 3mhm by Molmil](/molmil-images/mine/3mhm) | Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | Descriptor: | 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Grazulis, S, Manakova, E, Golovenko, D. | Deposit date: | 2010-04-08 | Release date: | 2010-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
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4M3Q
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![BU of 4m3q by Molmil](/molmil-images/mine/4m3q) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ... | Authors: | Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | Deposit date: | 2013-08-06 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.718 Å) | Cite: | Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors. J.Med.Chem., 56, 2013
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6RW9
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![BU of 6rw9 by Molmil](/molmil-images/mine/6rw9) | Cryo-EM structure of Morganella morganii TcdA4 | Descriptor: | Insecticidal toxin protein TcdA4 | Authors: | Roderer, D, Leidreiter, F, Gatsogiannis, C, Meusch, D, Benz, R, Raunser, S. | Deposit date: | 2019-06-04 | Release date: | 2019-10-23 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Common architecture of Tc toxins from human and insect pathogenic bacteria. Sci Adv, 5, 2019
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3M96
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![BU of 3m96 by Molmil](/molmil-images/mine/3m96) | Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide | Descriptor: | 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Grazulis, S, Manakova, E, Golovenko, D. | Deposit date: | 2010-03-20 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII. Bioorg.Med.Chem., 18, 2010
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3MG1
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![BU of 3mg1 by Molmil](/molmil-images/mine/3mg1) | Crystal structure of the orange carotenoid protein from cyanobacteria Synechocystis sp. PCC 6803 | Descriptor: | GLYCEROL, Orange carotenoid protein, beta,beta-caroten-4-one | Authors: | Wilson, A, Kinney, J, Zwart, P.H, Punginelli, C, D'Haen, S, Perreau, F, Klein, M.G, Kirilovsky, D, Kerfeld, C.A. | Deposit date: | 2010-04-05 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Structural determinants underlying photoprotection in the photoactive orange carotenoid protein of cyanobacteria. J.Biol.Chem., 285, 2010
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6S5L
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8AQW
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![BU of 8aqw by Molmil](/molmil-images/mine/8aqw) | BA.4/5 SARS-CoV-2 Spike bound to mouse ACE2 (local) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | Deposit date: | 2022-08-13 | Release date: | 2023-03-15 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range. Plos Pathog., 19, 2023
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7R7M
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3M5C
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![BU of 3m5c by Molmil](/molmil-images/mine/3m5c) | Crystal structure of N-acetyl-L-ornithine transcarbamylase K302E mutant complexed with PALAO | Descriptor: | N-acetylornithine carbamoyltransferase, N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine, SULFATE ION | Authors: | Li, Y, Yu, X, Allewell, N.M, Tuchman, M, Shi, D. | Deposit date: | 2010-03-12 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Reversible post-translational carboxylation modulates the enzymatic activity of N-acetyl-L-ornithine transcarbamylase. Biochemistry, 49, 2010
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3M67
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![BU of 3m67 by Molmil](/molmil-images/mine/3m67) | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide | Descriptor: | 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Grazulis, S, Manakova, E, Golovenko, D. | Deposit date: | 2010-03-15 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
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3MG3
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![BU of 3mg3 by Molmil](/molmil-images/mine/3mg3) | Crystal structure of the orange carotenoid protein R155L mutant from cyanobacteria synechocystis sp. PCC 6803 | Descriptor: | GLYCEROL, Orange carotenoid-binding protein, beta,beta-caroten-4-one | Authors: | Wilson, A, Kinney, J, Zwart, P.H, Punginelli, C, D'Haen, S, Perreau, F, Klein, M.G, Kirilovsky, D, Kerfeld, C.A. | Deposit date: | 2010-04-05 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structural determinants underlying photoprotection in the photoactive orange carotenoid protein of cyanobacteria. J.Biol.Chem., 285, 2010
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3MHL
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![BU of 3mhl by Molmil](/molmil-images/mine/3mhl) | Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | Descriptor: | 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Grazulis, S, Manakova, E, Golovenko, D. | Deposit date: | 2010-04-08 | Release date: | 2010-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
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1CGE
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![BU of 1cge by Molmil](/molmil-images/mine/1cge) | CRYSTAL STRUCTURES OF RECOMBINANT 19-KDA HUMAN FIBROBLAST COLLAGENASE COMPLEXED TO ITSELF | Descriptor: | CALCIUM ION, FIBROBLAST COLLAGENASE, ZINC ION | Authors: | Lovejoy, B, Hassell, A.M, Luther, M.A, Weigl, D, Jordan, S.R. | Deposit date: | 1994-02-03 | Release date: | 1995-03-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of recombinant 19-kDa human fibroblast collagenase complexed to itself. Biochemistry, 33, 1994
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3P8X
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![BU of 3p8x by Molmil](/molmil-images/mine/3p8x) | Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18 | Descriptor: | (1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol, SULFATE ION, Vitamin D3 receptor | Authors: | Rochel, N, Sato, Y, Moras, D. | Deposit date: | 2010-10-15 | Release date: | 2011-08-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1 ,25-Dihydroxyvitamin D3 with Substituents at C-18 Chemmedchem, 6, 2011
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