4L59
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![BU of 4l59 by Molmil](/molmil-images/mine/4l59) | Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex | Descriptor: | 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, Lethal(3)malignant brain tumor-like protein 3, SULFATE ION, ... | Authors: | Zhong, N, Dong, A, Ravichandran, M, Camerino, M.A, Dickson, B.M, James, L.I, Baughman, B.M, Norris, J.L, Kireev, D.B, Janzen, W.P, Graslund, S, Frye, S.V, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-06-10 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface. Medchemcomm, 4, 2013
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4JXK
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![BU of 4jxk by Molmil](/molmil-images/mine/4jxk) | Crystal Structure of Oxidoreductase ROP_24000 (Target EFI-506400) from Rhodococcus opacus B4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, oxidoreductase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-28 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Oxidoreductase Rop_24000 (Target EFI-506400) from Rhodococcus Opacus To be Published
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4JXY
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![BU of 4jxy by Molmil](/molmil-images/mine/4jxy) | CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE PATL_3739 (TARGET EFI-509195) FROM Pseudoalteromonas atlantica | Descriptor: | GLUTARIC ACID, PHOSPHATE ION, Trans-hexaprenyltranstransferase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-28 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CRYSTAL STRUCTURE OF ISOPRENOID SYNTHASE PATL_3739 FROM Pseudoalteromonas atlantica To be Published
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1VEB
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![BU of 1veb by Molmil](/molmil-images/mine/1veb) | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 | Descriptor: | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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5E1L
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![BU of 5e1l by Molmil](/molmil-images/mine/5e1l) | Structural and functional analysis of the E. coli FtsZ interacting protein, ZapC, reveals insight into molecular properties of a novel Z ring stabilizing protein | Descriptor: | Cell division protein ZapC | Authors: | Schumacher, M.A, Huang, K.-H, Tchorzewski, L, Zeng, W, Janakiraman, A. | Deposit date: | 2015-09-29 | Release date: | 2015-12-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Analyses Reveal Insights into the Molecular Properties of the Escherichia coli Z Ring Stabilizing Protein, ZapC. J.Biol.Chem., 291, 2016
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1CWQ
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![BU of 1cwq by Molmil](/molmil-images/mine/1cwq) | M INTERMEDIATE STRUCTURE OF THE WILD TYPE BACTERIORHODOPSIN IN COMBINATION WITH THE GROUND STATE STRUCTURE | Descriptor: | BACTERIORHODOPSIN ("M" STATE INTERMEDIATE IN COMBINATION WITH GROUND STATE), HEXANE, N-OCTANE, ... | Authors: | Sass, H.J, Berendzen, J, Neff, D, Gessenich, R, Ormos, P, Bueldt, G. | Deposit date: | 1999-08-26 | Release date: | 1999-10-20 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural alterations for proton translocation in the M state of wild-type bacteriorhodopsin. Nature, 406, 2000
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6ZMD
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![BU of 6zmd by Molmil](/molmil-images/mine/6zmd) | Crystal structure of HYPE covalently tethered to BiP bound to AMP-PNP | Descriptor: | Endoplasmic reticulum chaperone BiP, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Fauser, J, Gulen, B, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V. | Deposit date: | 2020-07-02 | Release date: | 2021-04-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Specificity of AMPylation of the human chaperone BiP is mediated by TPR motifs of FICD. Nat Commun, 12, 2021
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6ZYD
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![BU of 6zyd by Molmil](/molmil-images/mine/6zyd) | YnaI | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Low conductance mechanosensitive channel YnaI,Low conductance mechanosensitive channel YnaI | Authors: | Flegler, V.J, Rasmussen, A, Rao, S, Wu, N, Zenobi, R, Sansom, M.S.P, Hedrich, R, Rasmussen, T, Boettcher, B. | Deposit date: | 2020-07-31 | Release date: | 2020-11-25 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The MscS-like channel YnaI has a gating mechanism based on flexible pore helices. Proc.Natl.Acad.Sci.USA, 117, 2020
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4JXN
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![BU of 4jxn by Molmil](/molmil-images/mine/4jxn) | CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE ISP_B (TARGET EFI-509198) FROM Roseobacter denitrificans | Descriptor: | CHLORIDE ION, Octaprenyl-diphosphate synthase, UNKNOWN LIGAND | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-28 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Isoprenoid Synthase Isp_B from Roseobacter Denitrificans To be Published
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5DXR
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![BU of 5dxr by Molmil](/molmil-images/mine/5dxr) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol | Descriptor: | 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-23 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DYB
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![BU of 5dyb by Molmil](/molmil-images/mine/5dyb) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol | Descriptor: | 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-24 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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6ZYE
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![BU of 6zye by Molmil](/molmil-images/mine/6zye) | YnaI in an open-like conformation | Descriptor: | YnaI,Low conductance mechanosensitive channel YnaI | Authors: | Flegler, V.J, Rasmussen, A, Rao, S, Wu, N, Zenobi, R, Sansom, M.S.P, Hedrich, R, Rasmussen, T, Boettcher, B. | Deposit date: | 2020-07-31 | Release date: | 2020-11-25 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | The MscS-like channel YnaI has a gating mechanism based on flexible pore helices. Proc.Natl.Acad.Sci.USA, 117, 2020
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5DP0
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![BU of 5dp0 by Molmil](/molmil-images/mine/5dp0) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol | Descriptor: | 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-11 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.382 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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6AUQ
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![BU of 6auq by Molmil](/molmil-images/mine/6auq) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(3-(3-(methylamino)propyl)phenethyl)pyridin-2-amine | Descriptor: | 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-09-01 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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6AV4
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![BU of 6av4 by Molmil](/molmil-images/mine/6av4) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(4-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine | Descriptor: | 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-09-01 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.867 Å) | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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6AZ3
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![BU of 6az3 by Molmil](/molmil-images/mine/6az3) | Cryo-EM structure of of the large subunit of Leishmania ribosome bound to paromomycin | Descriptor: | 60S ribosomal protein L10, putative, 60S ribosomal protein L11 (L5, ... | Authors: | Shalev-Benami, M, Zhang, Y, Rozenberg, H, Nobe, Y, Taoka, M, Matzov, D, Zimmerman, E, Bashan, A, Isobe, T, Jaffe, C.L, Yonath, A, Skiniotis, G. | Deposit date: | 2017-09-09 | Release date: | 2017-12-06 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin. Nat Commun, 8, 2017
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5DRJ
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![BU of 5drj by Molmil](/molmil-images/mine/5drj) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3-methyl 2,5-diarylthiophene-core ligand 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol) | Descriptor: | 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol), Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-15 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DZI
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![BU of 5dzi by Molmil](/molmil-images/mine/5dzi) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol | Descriptor: | 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-25 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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1W9A
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![BU of 1w9a by Molmil](/molmil-images/mine/1w9a) | Crystal structure of Rv1155 from Mycobacterium tuberculosis | Descriptor: | PUTATIVE PYRIDOXINE/PYRIDOXAMINE 5'-PHOSPHATE OXIDASE | Authors: | Cannan, S, Sulzenbacher, G, Roig-Zamboni, V, Scappuccini, L, Frassinetti, F, Maurien, D, Cambillau, C, Bourne, Y. | Deposit date: | 2004-10-07 | Release date: | 2005-01-06 | Last modified: | 2013-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Conserved Hypothetical Protein Rv1155 from Mycobacterium Tuberculosis FEBS Lett., 579, 2005
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5E0W
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![BU of 5e0w by Molmil](/molmil-images/mine/5e0w) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol | Descriptor: | 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-29 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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3HML
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![BU of 3hml by Molmil](/molmil-images/mine/3hml) | |
3HNH
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![BU of 3hnh by Molmil](/molmil-images/mine/3hnh) | Crystal Structure of PqqC Active Site Mutant Y175S,R179S in complex with a reaction intermediate | Descriptor: | (2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, Pyrroloquinoline-quinone synthase | Authors: | Puehringer, S, Schwarzenbacher, R. | Deposit date: | 2009-05-31 | Release date: | 2010-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural studies of mutant forms of the PQQ-forming enzyme PqqC in the presence of product and substrate Proteins, 78, 2010
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6ZJ3
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![BU of 6zj3 by Molmil](/molmil-images/mine/6zj3) | Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis | Descriptor: | 18S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Matzov, D, Halfon, H, Zimmerman, E, Rozenberg, H, Bashan, A, Gray, M.W, Yonath, A.E, Shalev-Benami, M. | Deposit date: | 2020-06-27 | Release date: | 2020-10-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis. Nucleic Acids Res., 48, 2020
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5D0O
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![BU of 5d0o by Molmil](/molmil-images/mine/5d0o) | BamABCDE complex, outer membrane beta barrel assembly machinery entire complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | Deposit date: | 2015-08-03 | Release date: | 2016-03-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of outer membrane protein insertion by the BAM complex. Nature, 531, 2016
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6AUW
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![BU of 6auw by Molmil](/molmil-images/mine/6auw) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(2-(5-(4-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine | Descriptor: | 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-09-01 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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