2DWZ
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2DVS
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![BU of 2dvs by Molmil](/molmil-images/mine/2dvs) | Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide | Descriptor: | bromodomain-containing protein 2, histone H4 | Authors: | Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-08-01 | Release date: | 2007-08-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain. J.Biol.Chem., 285, 2010
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2CW9
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![BU of 2cw9 by Molmil](/molmil-images/mine/2cw9) | Crystal structure of human Tim44 C-terminal domain | Descriptor: | PENTAETHYLENE GLYCOL, translocase of inner mitochondrial membrane | Authors: | Handa, N, Kishishita, S, Morita, S, Kinoshita, Y, Nagano, Y, Uda, H, Terada, T, Uchikubo, T, Takemoto, C, Jin, Z, Chrzas, J, Chen, L, Liu, Z.-J, Wang, B.-C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-06-17 | Release date: | 2005-12-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the human Tim44 C-terminal domain in complex with pentaethylene glycol: ligand-bound form. Acta Crystallogr.,Sect.D, 63, 2007
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6ACR
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![BU of 6acr by Molmil](/molmil-images/mine/6acr) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 | Descriptor: | Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2018-07-27 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H). Chem. Pharm. Bull., 67, 2019
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6UOE
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6UYD
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![BU of 6uyd by Molmil](/molmil-images/mine/6uyd) | Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | Authors: | Tzarum, N, Wilson, I.A, Zhu, J. | Deposit date: | 2019-11-13 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines. Sci Adv, 6, 2020
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6UYM
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![BU of 6uym by Molmil](/molmil-images/mine/6uym) | Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v6 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | Authors: | Tzarum, N, Wilson, I.A, Zhu, J. | Deposit date: | 2019-11-13 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.848 Å) | Cite: | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines. Sci Adv, 6, 2020
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6UYF
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![BU of 6uyf by Molmil](/molmil-images/mine/6uyf) | Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 6a bound to broadly neutralizing antibody AR3B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | Authors: | Tzarum, N, Wilson, I.A, Zhu, J. | Deposit date: | 2019-11-13 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines. Sci Adv, 6, 2020
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6UYG
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![BU of 6uyg by Molmil](/molmil-images/mine/6uyg) | Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | Authors: | Tzarum, N, Wilson, I.A, Zhu, J. | Deposit date: | 2019-11-13 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.375 Å) | Cite: | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines. Sci Adv, 6, 2020
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6BKL
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![BU of 6bkl by Molmil](/molmil-images/mine/6bkl) | Influenza A M2 transmembrane domain bound to rimantadine | Descriptor: | (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, Matrix protein 2, RIMANTADINE | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2017-11-08 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters. J. Am. Chem. Soc., 140, 2018
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3TH5
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![BU of 3th5 by Molmil](/molmil-images/mine/3th5) | Crystal structure of wild-type RAC1 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-08-18 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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4R3C
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![BU of 4r3c by Molmil](/molmil-images/mine/4r3c) | Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | Deposit date: | 2014-08-14 | Release date: | 2015-02-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models. ACS Chem Neurosci, 6, 2015
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3SBE
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![BU of 3sbe by Molmil](/molmil-images/mine/3sbe) | Crystal structure of RAC1 P29S mutant | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-06-03 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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7C3N
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![BU of 7c3n by Molmil](/molmil-images/mine/7c3n) | Crystal structure of JAK3 in complex with Delgocitinib | Descriptor: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | Authors: | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | Deposit date: | 2020-05-13 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders. J.Med.Chem., 63, 2020
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6BKK
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![BU of 6bkk by Molmil](/molmil-images/mine/6bkk) | Influenza A M2 transmembrane domain bound to amantadine | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, CHLORIDE ION, Matrix protein 2 | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2017-11-08 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters. J. Am. Chem. Soc., 140, 2018
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5D5Q
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![BU of 5d5q by Molmil](/molmil-images/mine/5d5q) | HcgB from Methanocaldococcus jannaschii with the pyridinol derived from FeGP cofactor of [Fe]-hydrogenase | Descriptor: | (4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid, Uncharacterized protein MJ0488, Guanylyltransferase | Authors: | Fujishiro, T, Ermler, U, Shima, S. | Deposit date: | 2015-08-11 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Towards artificial methanogenesis: biosynthesis of the [Fe]-hydrogenase cofactor and characterization of the semi-synthetic hydrogenase. Faraday Discuss., 198, 2017
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6BMZ
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![BU of 6bmz by Molmil](/molmil-images/mine/6bmz) | Influenza A M2 transmembrane domain bound to a spiroadamantane inhibitor | Descriptor: | (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, CHLORIDE ION, Matrix protein 2 | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2017-11-15 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.634 Å) | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters. J. Am. Chem. Soc., 140, 2018
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3SBD
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![BU of 3sbd by Molmil](/molmil-images/mine/3sbd) | Crystal structure of RAC1 P29S mutant | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-06-03 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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6VKN
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![BU of 6vkn by Molmil](/molmil-images/mine/6vkn) | BG505 SOSIP.v5.2.N241.N289 in complex with rhesus macaque Fab RM19R | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cottrell, C.A, Ward, A.B. | Deposit date: | 2020-01-21 | Release date: | 2020-08-12 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations. NPJ Vaccines, 5, 2020
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6BOC
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![BU of 6boc by Molmil](/molmil-images/mine/6boc) | Influenza A M2 transmembrane domain bound to rimantadine in the Inward(open) conformation | Descriptor: | (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2, ... | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2017-11-19 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters. J. Am. Chem. Soc., 140, 2018
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5D5P
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![BU of 5d5p by Molmil](/molmil-images/mine/5d5p) | HcgB from Methanococcus maripaludis | Descriptor: | HcgB | Authors: | Fujishiro, T, Ermler, U, Shima, S. | Deposit date: | 2015-08-11 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Towards artificial methanogenesis: biosynthesis of the [Fe]-hydrogenase cofactor and characterization of the semi-synthetic hydrogenase. Faraday Discuss., 198, 2017
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5DND
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6XAG
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![BU of 6xag by Molmil](/molmil-images/mine/6xag) | Apo BRAF dimer bound to 14-3-3 | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | Authors: | Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J. | Deposit date: | 2020-06-04 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Dimerization Induced by C-Terminal 14-3-3 Binding Is Sufficient for BRAF Kinase Activation. Biochemistry, 59, 2020
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2P3B
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![BU of 2p3b by Molmil](/molmil-images/mine/2p3b) | Crystal Structure of the subtype B wild type HIV protease complexed with TL-3 inhibitor | Descriptor: | benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | Deposit date: | 2007-03-08 | Release date: | 2007-04-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development. J.Mol.Biol., 369, 2007
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5DNE
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![BU of 5dne by Molmil](/molmil-images/mine/5dne) | |