6VH8
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6VKV
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5J59
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![BU of 5j59 by Molmil](/molmil-images/mine/5j59) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893) | Descriptor: | 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine, GLYCEROL, METHIONINE, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2016-04-01 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors. Eur J Med Chem, 124, 2016
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6VOV
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![BU of 6vov by Molmil](/molmil-images/mine/6vov) | Crystal structure of Syk in complex with GS-9876 | Descriptor: | 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK | Authors: | Lansdon, E.B. | Deposit date: | 2020-01-31 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases. Acs Med.Chem.Lett., 11, 2020
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6VI0
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![BU of 6vi0 by Molmil](/molmil-images/mine/6vi0) | Cryo-EM structure of VRC01.23 in complex with HIV-1 Env BG505 DS.SOSIP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2020-01-10 | Release date: | 2021-01-13 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | A matrix of structure-based designs yields improved VRC01-class antibodies for HIV-1 therapy and prevention. Mabs, 13
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5J42
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![BU of 5j42 by Molmil](/molmil-images/mine/5j42) | Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, GLYCEROL, ... | Authors: | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | Deposit date: | 2016-03-31 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2. Biochem.J., 473, 2016
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6VPX
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6VO4
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![BU of 6vo4 by Molmil](/molmil-images/mine/6vo4) | Crystal Structure Analysis of BFL1 | Descriptor: | Bcl-2-related protein A1 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2020-01-29 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Identification of a Covalent Molecular Inhibitor of Anti-apoptotic BFL-1 by Disulfide Tethering. Cell Chem Biol, 27, 2020
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6VJN
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![BU of 6vjn by Molmil](/molmil-images/mine/6vjn) | Structure of NHP D11A.B5Fab in complex with 16055 V2b peptide | Descriptor: | D11A.B5 Fab Heavy chain, D11A.B5 Fab Light chain, SODIUM ION, ... | Authors: | Singh, S, Liban, T.J, Pancera, M. | Deposit date: | 2020-01-16 | Release date: | 2021-01-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization. Plos Pathog., 17, 2021
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2W3V
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2VR1
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2VPQ
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6VZI
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1JF2
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![BU of 1jf2 by Molmil](/molmil-images/mine/1jf2) | Crystal Structure of W92F obelin mutant from Obelia longissima at 1.72 Angstrom resolution | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, obelin | Authors: | Liu, Z.-J, Vysotski, E.S, Deng, L, Markova, S.V, Lee, J, Rose, J.P, Wang, B.-C. | Deposit date: | 2001-06-19 | Release date: | 2001-07-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Violet bioluminescence and fast kinetics from W92F obelin: structure-based proposals for the bioluminescence triggering and the identification of the emitting species. Biochemistry, 42, 2003
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6W4K
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![BU of 6w4k by Molmil](/molmil-images/mine/6w4k) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | Descriptor: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Hosfield, D.J. | Deposit date: | 2020-03-11 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1). J.Med.Chem., 63, 2020
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5J3P
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![BU of 5j3p by Molmil](/molmil-images/mine/5j3p) | Crystal structure of the catalytic domain of human tyrosyl DNA phosphodiesterase 2 | Descriptor: | GLYCEROL, MAGNESIUM ION, Tyrosyl-DNA phosphodiesterase 2 | Authors: | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | Deposit date: | 2016-03-31 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2. Biochem.J., 473, 2016
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1JLQ
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![BU of 1jlq by Molmil](/molmil-images/mine/1jlq) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 739W94 | Descriptor: | 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE, HIV-1 RT, A-CHAIN, ... | Authors: | Ren, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-16 | Release date: | 2001-08-22 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1. J.Med.Chem., 44, 2001
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2W3W
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![BU of 2w3w by Molmil](/molmil-images/mine/2w3w) | MYCOBACTERIUM AVIUM DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR M. AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686) | Descriptor: | 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Leung, A.K.W, Reynolds, R.C, Borhani, D.W. | Deposit date: | 2008-11-16 | Release date: | 2009-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate To be Published
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5J98
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![BU of 5j98 by Molmil](/molmil-images/mine/5j98) | Crystal structure of Slow Bee Paralysis Virus at 2.6A resolution | Descriptor: | VP1, VP2, VP3 | Authors: | Kalynych, S, Levdansky, Y, Palkova, L, Plevka, P. | Deposit date: | 2016-04-08 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Virion Structure of Iflavirus Slow Bee Paralysis Virus at 2.6-Angstrom Resolution. J.Virol., 90, 2016
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5J3Z
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![BU of 5j3z by Molmil](/molmil-images/mine/5j3z) | Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, ACETATE ION, ... | Authors: | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | Deposit date: | 2016-03-31 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2. Biochem.J., 473, 2016
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5J2R
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![BU of 5j2r by Molmil](/molmil-images/mine/5j2r) | Solution structure of Ras Binding Domain (RBD) of B-Raf | Descriptor: | N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine, Serine/threonine-protein kinase B-raf | Authors: | Dutta, K, Vasquez-Del Carpio, R, Aggarwal, A.K, Reddy, E.P. | Deposit date: | 2016-03-29 | Release date: | 2016-05-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling. Cell, 165, 2016
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2WAJ
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![BU of 2waj by Molmil](/molmil-images/mine/2waj) | Crystal structure of human Jnk3 complexed with a 1-aryl-3,4- dihydroisoquinoline inhibitor | Descriptor: | 1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE, MITOGEN-ACTIVATED PROTEIN KINASE 10 | Authors: | Bax, B.D, Christopher, J.A, Jones, E.J, Mosley, J.E. | Deposit date: | 2009-02-08 | Release date: | 2009-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 1-Aryl-3,4-Dihydroisoquinoline Inhibitors of Jnk3. Bioorg.Med.Chem.Lett., 19, 2009
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5JDE
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6W03
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2W3M
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