5LYJ
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![BU of 5lyj by Molmil](/molmil-images/mine/5lyj) | Tubulin-Combretastatin A4 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Combretastatin A4, ... | Authors: | Gaspari, R, Prota, A.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2016-09-28 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Structural basis of cis- and trans-combretastatin binding to tubulin Chem, 2017
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7X7O
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![BU of 7x7o by Molmil](/molmil-images/mine/7x7o) | SARS-CoV-2 spike RBD in complex with neutralizing antibody UT28K | Descriptor: | Spike protein S1, UT28K Fab, heavy chain, ... | Authors: | Ozawa, T, Tani, H, Anraku, Y, Kita, S, Igarashi, E, Saga, Y, Inasaki, N, Kawasuji, H, Yamada, H, Sasaki, S, Somekawa, M, Sasaki, J, Hayakawa, Y, Yamamoto, Y, Morinaga, Y, Kurosawa, N, Isobe, M, Fukuhara, H, Maenaka, K, Hashiguchi, T, Kishi, H, Kitajima, I, Saito, S, Niimi, H. | Deposit date: | 2022-03-10 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | Novel super-neutralizing antibody UT28K is capable of protecting against infection from a wide variety of SARS-CoV-2 variants. Mabs, 14, 2022
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5LRU
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![BU of 5lru by Molmil](/molmil-images/mine/5lru) | Structure of Cezanne/OTUD7B OTU domain | Descriptor: | OTU domain-containing protein 7B | Authors: | Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D. | Deposit date: | 2016-08-22 | Release date: | 2016-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne. Nature, 538, 2016
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6GOF
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![BU of 6gof by Molmil](/molmil-images/mine/6gof) | KRAS full length G12D GPPNHP | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2018-06-01 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5U6I
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![BU of 5u6i by Molmil](/molmil-images/mine/5u6i) | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | Deposit date: | 2016-12-08 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J. Med. Chem., 60, 2017
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5CZP
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![BU of 5czp by Molmil](/molmil-images/mine/5czp) | 70S termination complex containing E. coli RF2 | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Hoffer, E.D, Dunham, C.M. | Deposit date: | 2015-07-31 | Release date: | 2016-10-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.29995918 Å) | Cite: | Uniformity of Peptide Release Is Maintained by Methylation of Release Factors. Cell Rep, 17, 2016
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4JGN
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6T0K
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![BU of 6t0k by Molmil](/molmil-images/mine/6t0k) | Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole | Descriptor: | CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, GLYCEROL, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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8FC2
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![BU of 8fc2 by Molmil](/molmil-images/mine/8fc2) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and azithromycin at 2.50A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A. Nat Commun, 14, 2023
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3I3B
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![BU of 3i3b by Molmil](/molmil-images/mine/3i3b) | E.coli (lacz) Beta-Galactosidase (M542A) in Complex with D-Galactopyranosyl-1-on | Descriptor: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | Authors: | Dugdale, M.L, Dymianiw, D, Minhas, B, Huber, R.E. | Deposit date: | 2009-06-30 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of Met-542 as a guide for the conformational changes of Phe-601 that occur during the reaction of β-galactosidase (Escherichia coli). Biochem.Cell Biol., 88, 2010
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8FC5
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![BU of 8fc5 by Molmil](/molmil-images/mine/8fc5) | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and azithromycin at 2.65A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | Deposit date: | 2022-12-01 | Release date: | 2023-07-26 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A. Nat Commun, 14, 2023
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8FC4
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![BU of 8fc4 by Molmil](/molmil-images/mine/8fc4) | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and erythromycin at 2.45A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | Deposit date: | 2022-12-01 | Release date: | 2023-07-26 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A. Nat Commun, 14, 2023
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6VYE
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5ME9
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![BU of 5me9 by Molmil](/molmil-images/mine/5me9) | Crystal structure of yeast Cdt1 (N terminal and middle domain), form 1. | Descriptor: | Cell division cycle protein CDT1, GLYCEROL, SULFATE ION | Authors: | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | Deposit date: | 2016-11-14 | Release date: | 2017-05-17 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5J6F
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![BU of 5j6f by Molmil](/molmil-images/mine/5j6f) | Crystal structure of DAH7PS-CM complex from Geobacillus sp. with prephenate | Descriptor: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, chorismate mutase-isozyme 3, MANGANESE (II) ION, ... | Authors: | Nazmi, A.R, Othman, M, Lang, E.J.M, Bai, Y, Allison, T.M, Panjkar, S, Arcus, V.L, Parker, E.J. | Deposit date: | 2016-04-04 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Interdomain Conformational Changes Provide Allosteric Regulation en Route to Chorismate. J. Biol. Chem., 291, 2016
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6W9K
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6FIA
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6T1A
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![BU of 6t1a by Molmil](/molmil-images/mine/6t1a) | Structure of mosquitocidal Cyt1Aa protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 10 | Descriptor: | CALCIUM ION, Type-1Aa cytolytic delta-endotoxin | Authors: | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade. Nat Commun, 11, 2020
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8TUK
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![BU of 8tuk by Molmil](/molmil-images/mine/8tuk) | Alvinella ASCC1 KH and Phosphodiesterase/Ligase Domain | Descriptor: | 1,2-ETHANEDIOL, Activating signal cointegrator 1 complex subunit 1, IMIDAZOLE | Authors: | Tsutakawa, S.E, Tainer, J.A, Arvai, A.S, Chinnam, N.B. | Deposit date: | 2023-08-16 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | ASCC1 structures and bioinformatics reveal a novel helix-clasp-helix RNA-binding motif linked to a two-histidine phosphodiesterase. J.Biol.Chem., 300, 2024
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8IM8
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![BU of 8im8 by Molmil](/molmil-images/mine/8im8) | Crystal structure of Periplasmic alpha-amylase (MalS) from E.coli | Descriptor: | CALCIUM ION, Periplasmic alpha-amylase | Authors: | An, Y, Park, J.T, Park, K.H, Woo, E.J. | Deposit date: | 2023-03-06 | Release date: | 2023-05-24 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Distinctive Permutated Domain Structure of Periplasmic alpha-Amylase (MalS) from Glycoside Hydrolase Family 13 Subfamily 19. Molecules, 28, 2023
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1GU6
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![BU of 1gu6 by Molmil](/molmil-images/mine/1gu6) | Structure of the Periplasmic Cytochrome c Nitrite Reductase from Escherichia coli | Descriptor: | CALCIUM ION, CYTOCHROME C552, GLYCEROL, ... | Authors: | Bamford, V.A, Angove, H.C, Seward, H.E, Thomson, A.J, Cole, J.A, Butt, J.N, Hemmings, A.M, Richardson, D.J. | Deposit date: | 2002-01-24 | Release date: | 2002-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Spectroscopy of the Periplasmic Cytochrome C Nitrite Reductase from Escherichia Coli Biochemistry, 41, 2002
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5J9F
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![BU of 5j9f by Molmil](/molmil-images/mine/5j9f) | Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183) | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong, J, Deis, S.M, Dann III, C.E. | Deposit date: | 2016-04-09 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis. J.Med.Chem., 59, 2016
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8FIC
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![BU of 8fic by Molmil](/molmil-images/mine/8fic) | Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 1) | Descriptor: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FC3
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![BU of 8fc3 by Molmil](/molmil-images/mine/8fc3) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and telithromycin at 2.60A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A. Nat Commun, 14, 2023
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1W6F
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![BU of 1w6f by Molmil](/molmil-images/mine/1w6f) | Arylamine N-acetyltransferase from Mycobacterium smegmatis with the anti-tubercular drug isoniazid bound in the active site. | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, ARYLAMINE N-ACETYLTRANSFERASE | Authors: | Sandy, J, Holton, S, Fullham, E, Sim, E, Noble, M.E.M. | Deposit date: | 2004-08-17 | Release date: | 2005-02-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of the Anti-Tubercular Drug Isoniazid to the Arylamine N-Acetyltransferase Protein from Mycobacterium Smegmatis Protein Sci., 14, 2005
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