5E7W
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![BU of 5e7w by Molmil](/molmil-images/mine/5e7w) | X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom | Descriptor: | ACETATE ION, Insulin, N-PROPANOL, ... | Authors: | Lisgarten, D.R, Naylor, C.E, Palmer, R.A, Lobley, C.M.C. | Deposit date: | 2015-10-13 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.9519 Å) | Cite: | Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K. Chem Cent J, 11, 2017
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5E85
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![BU of 5e85 by Molmil](/molmil-images/mine/5e85) | isolated SBD of BiP | Descriptor: | 78 kDa glucose-regulated protein, SULFATE ION | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | Deposit date: | 2015-10-13 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP. Structure, 23, 2015
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5E95
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![BU of 5e95 by Molmil](/molmil-images/mine/5e95) | Crystal Structure of Mb(NS1)/H-Ras Complex | Descriptor: | GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eguchi, R.R, Sha, F, Gupta, A, Koide, A, Koide, S. | Deposit date: | 2015-10-14 | Release date: | 2016-11-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Inhibition of RAS function through targeting an allosteric regulatory site. Nat. Chem. Biol., 13, 2017
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5EAC
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![BU of 5eac by Molmil](/molmil-images/mine/5eac) | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-tebuconazole | Descriptor: | (3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. | Deposit date: | 2015-10-16 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE, 11, 2016
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7C36
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![BU of 7c36 by Molmil](/molmil-images/mine/7c36) | c-Myc DNA binding protein structure | Descriptor: | RNA-binding motif, single-stranded-interacting protein 1 | Authors: | Aggarwal, P, Bhavesh, N.S. | Deposit date: | 2020-05-11 | Release date: | 2021-05-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Hinge like domain motion facilitates human RBMS1 protein binding to proto-oncogene c-myc promoter. Nucleic Acids Res., 49, 2021
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3MSJ
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![BU of 3msj by Molmil](/molmil-images/mine/3msj) | Structure of bace (beta secretase) in complex with inhibitor | Descriptor: | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol, BETA-SECRETASE 1, GLYCEROL | Authors: | Madden, J, Kramer, J, Smith, M.A, Barker, J, Godemann, R. | Deposit date: | 2010-04-29 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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6DH3
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![BU of 6dh3 by Molmil](/molmil-images/mine/6dh3) | Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2018-05-18 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.908 Å) | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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7CJW
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![BU of 7cjw by Molmil](/molmil-images/mine/7cjw) | Solution structure of monomeric superoxide dismutase 1 with an additional mutation H46W in a crowded environment | Descriptor: | Monomeric Human Cu,Zn Superoxide dismutase | Authors: | Iwakawa, N, Morimoto, D, Walinda, E, Danielsson, J, Shirakawa, M, Sugase, K. | Deposit date: | 2020-07-14 | Release date: | 2021-05-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Transient Diffusive Interactions with a Protein Crowder Affect Aggregation Processes of Superoxide Dismutase 1 beta-Barrel. J.Phys.Chem.B, 125, 2021
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3M3U
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![BU of 3m3u by Molmil](/molmil-images/mine/3m3u) | |
4C9M
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![BU of 4c9m by Molmil](/molmil-images/mine/4c9m) | |
4BY0
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![BU of 4by0 by Molmil](/molmil-images/mine/4by0) | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide | Descriptor: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Choi, J.Y, Calvet, C.M, Vierira, D.F, Gunatilleke, S.S, Cameron, M.D, McKerrow, J.H, Podust, L.M, Roush, W.R. | Deposit date: | 2013-07-16 | Release date: | 2014-01-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | R-Configuration of 4-Aminopyridyl-Based Inhibitors of Cyp51 Confers Superior Efficacy Against Trypanosoma Cruzi Acs Med.Chem.Lett., 5, 2014
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4C0C
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![BU of 4c0c by Molmil](/molmil-images/mine/4c0c) | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. | Descriptor: | 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | Deposit date: | 2013-08-01 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57, 2014
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4C9K
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![BU of 4c9k by Molmil](/molmil-images/mine/4c9k) | |
7DIH
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![BU of 7dih by Molmil](/molmil-images/mine/7dih) | |
3MDT
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![BU of 3mdt by Molmil](/molmil-images/mine/3mdt) | Voriconazole complex of Cytochrome P450 46A1 | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | Deposit date: | 2010-03-30 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
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4C9N
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![BU of 4c9n by Molmil](/molmil-images/mine/4c9n) | |
6DWS
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![BU of 6dws by Molmil](/molmil-images/mine/6dws) | Crystal structure of human GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | Descriptor: | 8-{[(2-chlorophenyl)methyl]amino}adenosine, Endoplasmic reticulum chaperone BiP, MAGNESIUM ION | Authors: | Chen, Y, Antoshchenko, T, Smil, D, Zepeda, C, Huang, Y, Park, H.W. | Deposit date: | 2018-06-27 | Release date: | 2019-07-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol To Be Published
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3MF4
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![BU of 3mf4 by Molmil](/molmil-images/mine/3mf4) | Crystal structure of putative two-component system response regulator/ggdef domain protein | Descriptor: | MAGNESIUM ION, Two-component system response regulator/GGDEF domain protein | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-04-01 | Release date: | 2010-04-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of putative two-component system response regulator/ggdef domain protein To be Published
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3MJH
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![BU of 3mjh by Molmil](/molmil-images/mine/3mjh) | Crystal Structure of Human Rab5A in complex with the C2H2 Zinc Finger of EEA1 | Descriptor: | Early endosome antigen 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Mishra, A.K, Eathiraj, S, Lambright, D.G. | Deposit date: | 2010-04-12 | Release date: | 2010-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural basis for Rab GTPase recognition and endosome tethering by the C2H2 zinc finger of Early Endosomal Autoantigen 1 (EEA1). Proc.Natl.Acad.Sci.USA, 107, 2010
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4C3V
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![BU of 4c3v by Molmil](/molmil-images/mine/4c3v) | Extensive counter-ion interactions with subtilisin in aqueous medium, no Cs soak | Descriptor: | CALCIUM ION, SODIUM ION, SUBTILISIN CARLSBERG, ... | Authors: | Cianci, M, Negroni, J, Helliwell, J.R, Halling, P.J. | Deposit date: | 2013-08-27 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Extensive Counter-Ion Interactions Seen at the Surface of Subtilisin in an Aqueous Medium Rsc Adv, 2014
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3M0U
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![BU of 3m0u by Molmil](/molmil-images/mine/3m0u) | |
3MOU
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![BU of 3mou by Molmil](/molmil-images/mine/3mou) | |
4C9O
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![BU of 4c9o by Molmil](/molmil-images/mine/4c9o) | |
4CBO
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![BU of 4cbo by Molmil](/molmil-images/mine/4cbo) | |
7DD0
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![BU of 7dd0 by Molmil](/molmil-images/mine/7dd0) | |