4ZT6
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![BU of 4zt6 by Molmil](/molmil-images/mine/4zt6) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709) | Descriptor: | DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ... | Authors: | Koh, C.-Y, Hol, W.G.J. | Deposit date: | 2015-05-14 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors. Acs Infect Dis., 2, 2016
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6XLV
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4ZTV
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![BU of 4ztv by Molmil](/molmil-images/mine/4ztv) | Non-anthranilate-like inhibitor (TAMU-A7) complexed with anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis in absence of PRPP | Descriptor: | 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione, Anthranilate phosphoribosyltransferase | Authors: | Evans, G.L, Eom, J, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2015-05-15 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Bioactive non-anthranilate-like fragment-like inhibitor provides alternative starting point for inhibitor design against anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis. To be Published
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6LER
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![BU of 6ler by Molmil](/molmil-images/mine/6ler) | 169 bp nucleosome harboring non-identical cohesive DNA termini. | Descriptor: | CALCIUM ION, DNA (169-MER), Histone H2A type 1-B/E, ... | Authors: | Sharma, D, Adhireksan, Z, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-26 | Release date: | 2021-03-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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7D5Q
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![BU of 7d5q by Molmil](/molmil-images/mine/7d5q) | Structure of NorC transporter (K398A mutant) in an outward-open conformation in complex with a single-chain Indian camelid antibody | Descriptor: | Drug transporter, putative, ICab, ... | Authors: | Kumar, S, Athreya, A, Penmatsa, A. | Deposit date: | 2020-09-27 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural basis of inhibition of a transporter from Staphylococcus aureus, NorC, through a single-domain camelid antibody. Commun Biol, 4, 2021
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7DT2
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4ZW7
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6L4J
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6XPV
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6XQT
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![BU of 6xqt by Molmil](/molmil-images/mine/6xqt) | Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kneller, D.W, Kovalevsky, A, Coates, L. | Deposit date: | 2020-07-10 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals. Structure, 28, 2020
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6L44
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5ADK
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![BU of 5adk by Molmil](/molmil-images/mine/5adk) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2015-11-25 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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6L4N
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6L4I
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4ZY8
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![BU of 4zy8 by Molmil](/molmil-images/mine/4zy8) | |
7DJR
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![BU of 7djr by Molmil](/molmil-images/mine/7djr) | Crystal structure of SARS-CoV-2 main protease (no ligand) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Deetanya, P, Wangkanont, K. | Deposit date: | 2020-11-21 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification. Comput Struct Biotechnol J, 19, 2021
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4ZYQ
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6LAY
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6XVP
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![BU of 6xvp by Molmil](/molmil-images/mine/6xvp) | Crystal structure of Neprilysin in complex with Sampatrilat. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ... | Authors: | Cozier, G.E, Acharya, K.R, Sharma, U. | Deposit date: | 2020-01-22 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme. J.Med.Chem., 63, 2020
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5AA3
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4ZZU
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![BU of 4zzu by Molmil](/molmil-images/mine/4zzu) | Geotrichum candidum Cel7A structure complex with thio-linked cellotetraose at 1.4A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE I, ... | Authors: | Borisova, A.S, Stahlberg, J. | Deposit date: | 2015-04-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C. FEBS J., 282, 2015
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5AEJ
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![BU of 5aej by Molmil](/molmil-images/mine/5aej) | Crystal structure of human Gremlin-1 | Descriptor: | GREMLIN-1, SULFATE ION | Authors: | Kisonaite, M, Hyvonen, M. | Deposit date: | 2015-08-31 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Structure of Gremlin-1 and Analysis of its Interaction with Bmp-2. Biochem.J., 473, 2016
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6XX3
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6XY4
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6XZ3
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![BU of 6xz3 by Molmil](/molmil-images/mine/6xz3) | Crystal structure of TLNRD1 4-helix bundle | Descriptor: | 1,2-ETHANEDIOL, Talin rod domain-containing protein 1 | Authors: | Cowell, A, Singh, A.K, Brown, D.G, Goult, B.T. | Deposit date: | 2020-02-01 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Talin rod domain-containing protein 1 (TLNRD1) is a novel actin-bundling protein which promotes filopodia formation. J.Cell Biol., 220, 2021
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