6VAU
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![BU of 6vau by Molmil](/molmil-images/mine/6vau) | Bare actin filament from a partially cofilin-decorated sample | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | Deposit date: | 2019-12-17 | Release date: | 2020-01-01 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
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6SK8
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![BU of 6sk8 by Molmil](/molmil-images/mine/6sk8) | DeltaC3 C-terminal truncation of HsNMT1 in complex with MyrCoA and GDCFSKPR substrates | Descriptor: | Apoptosis-inducing factor 3, CHLORIDE ION, GLYCEROL, ... | Authors: | Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T. | Deposit date: | 2019-08-14 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation. Nat Commun, 11, 2020
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2JBV
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![BU of 2jbv by Molmil](/molmil-images/mine/2jbv) | Crystal structure of choline oxidase reveals insights into the catalytic mechanism | Descriptor: | CHOLINE OXIDASE, DIMETHYL SULFOXIDE, UNKNOWN ATOM OR ION, ... | Authors: | Lountos, G.T, Fan, F, Gadda, G, Orville, A.M. | Deposit date: | 2006-12-13 | Release date: | 2007-12-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Role of Glu312 in Binding and Positioning of the Substrate for the Hydride Transfer Reaction in Choline Oxidase. Biochemistry, 47, 2008
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5UNY
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![BU of 5uny by Molmil](/molmil-images/mine/5uny) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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5UOB
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![BU of 5uob by Molmil](/molmil-images/mine/5uob) | Structure of human endothelial nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, CHLORIDE ION, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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2JIF
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![BU of 2jif by Molmil](/molmil-images/mine/2jif) | Structure of human short-branched chain acyl-CoA dehydrogenase (ACADSB) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A PERSULFIDE, ... | Authors: | Pike, A.C.W, Hozjan, V, Smee, C, Niesen, F.H, Kavanagh, K.L, Umeano, C, Turnbull, A.P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Oppermann, U. | Deposit date: | 2007-02-28 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase To be Published
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6VEC
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![BU of 6vec by Molmil](/molmil-images/mine/6vec) | Cryo-EM structure of F-actin/Plastin2-ABD2 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Zheng, W, Kudryashov, D.S, Egelman, E.H. | Deposit date: | 2019-12-31 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Osteogenesis imperfecta mutations in plastin 3 lead to impaired calcium regulation of actin bundling. Bone Res, 8, 2020
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4AEA
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![BU of 4aea by Molmil](/molmil-images/mine/4aea) | Dimeric alpha-cobratoxin X-ray structure: Localization of intermolecular disulfides and possible mode of binding to nicotinic acetylcholine receptors | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, LONG NEUROTOXIN 1 | Authors: | Rucktooa, P, Osipov, A.V, Kasheverov, I.E, Filkin, S.Y, Starkov, V.G, Andreeva, T.V, Bertrand, D, Utkin, Y.N, Tsetlin, V.I, Sixma, T.K. | Deposit date: | 2012-01-09 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Dimeric Alpha-Cobratoxin X-Ray Structure: Localization of Intermolecular Disulfides and Possible Mode of Binding to Nicotinic Acetylcholine Receptors. J.Biol.Chem., 287, 2012
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6SOB
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![BU of 6sob by Molmil](/molmil-images/mine/6sob) | BamABCDE in MSP1D1 nanodisc ensemble 1-4 | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P. | Deposit date: | 2019-08-29 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | BamABCDE in MSP1D1 nanodisc ensemble 1-4 To Be Published
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2JD5
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![BU of 2jd5 by Molmil](/molmil-images/mine/2jd5) | Sky1p bound to Npl3p-derived substrate peptide | Descriptor: | MAGNESIUM ION, NUCLEOLAR PROTEIN 3, SERINE/THREONINE-PROTEIN KINASE SKY1, ... | Authors: | Nolen, B, Lukasiewicz, R, Adams, J.A, Huang, D, Ghosh, G. | Deposit date: | 2007-01-04 | Release date: | 2007-02-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Rgg Domain of Npl3P Recruits Sky1P Through Docking Interactions J.Mol.Biol., 367, 2007
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5V4N
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![BU of 5v4n by Molmil](/molmil-images/mine/5v4n) | Structure of HLA-DR1 with bound alpha3(135-145) peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA-DRA1, alpha3(135-145)-HLA-DRB1*01:01 | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2017-03-10 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.405 Å) | Cite: | Dominant protection from HLA-linked autoimmunity by antigen-specific regulatory T cells. Nature, 545, 2017
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5V57
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![BU of 5v57 by Molmil](/molmil-images/mine/5v57) | 3.0A SYN structure of the multi-domain human smoothened receptor in complex with TC114 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ... | Authors: | Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F. | Deposit date: | 2017-03-13 | Release date: | 2017-05-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand. Nat Commun, 8, 2017
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5V5Z
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![BU of 5v5z by Molmil](/molmil-images/mine/5v5z) | Structure of CYP51 from the pathogen Candida albicans | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2017-03-15 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
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6SU7
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![BU of 6su7 by Molmil](/molmil-images/mine/6su7) | Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and 3,4-Dichloroaniline | Descriptor: | 3,4-Dichloroaniline, Glycosyltransferase | Authors: | Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H. | Deposit date: | 2019-09-13 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering Acs Catalysis, 11, 2021
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6V38
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![BU of 6v38 by Molmil](/molmil-images/mine/6v38) | Cryo-EM structure of Ca2+-bound hsSlo1 channel | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL, ... | Authors: | Tao, X, MacKinnon, R. | Deposit date: | 2019-11-25 | Release date: | 2019-12-25 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular structures of the human Slo1 K + channel in complex with beta 4. Elife, 8, 2019
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8EPC
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![BU of 8epc by Molmil](/molmil-images/mine/8epc) | |
8EPK
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![BU of 8epk by Molmil](/molmil-images/mine/8epk) | |
8EPH
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![BU of 8eph by Molmil](/molmil-images/mine/8eph) | Crystal structure of human coagulation factor IXa (S195A), apo-form, DES-GLA | Descriptor: | CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ... | Authors: | Kolyadko, V.N, Krishnaswamy, S. | Deposit date: | 2022-10-05 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa. Proc.Natl.Acad.Sci.USA, 121, 2024
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6T0Z
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![BU of 6t0z by Molmil](/molmil-images/mine/6t0z) | Crystal structure of YTHDC1 with fragment 23 (ACA_DC1_005) | Descriptor: | SULFATE ION, YTHDC1, ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6V18
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![BU of 6v18 by Molmil](/molmil-images/mine/6v18) | immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta, GLYCEROL, ... | Authors: | Lim, J.J, Rossjohn, J. | Deposit date: | 2019-11-20 | Release date: | 2020-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR. Sci Immunol, 6, 2021
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6T15
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![BU of 6t15 by Molmil](/molmil-images/mine/6t15) | The III2-IV(5B)1 respiratory supercomplex from S. cerevisiae | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CARDIOLIPIN, COPPER (II) ION, ... | Authors: | Marechal, A, Pinotsis, N, Hartley, A. | Deposit date: | 2019-10-03 | Release date: | 2020-04-22 | Last modified: | 2020-05-06 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Rcf2 revealed in cryo-EM structures of hypoxic isoforms of mature mitochondrial III-IV supercomplexes. Proc.Natl.Acad.Sci.USA, 117, 2020
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5USQ
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![BU of 5usq by Molmil](/molmil-images/mine/5usq) | ALK-5 kinase inhibitor complex | Descriptor: | N-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2H-pyrazolo[4,3-b]pyridin-7-amine, TGF-beta receptor type-1 | Authors: | Dougan, D.R, Lawson, J.D. | Deposit date: | 2017-02-13 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Design, synthesis and optimization of 7-substituted-pyrazolo[4,3-b]pyridine ALK5 (activin receptor-like kinase 5) inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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2JGB
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![BU of 2jgb by Molmil](/molmil-images/mine/2jgb) | Structure of human eIF4E homologous protein 4EHP with m7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | Authors: | Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L. | Deposit date: | 2007-02-12 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms. J. Mol. Biol., 368, 2007
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2JGC
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![BU of 2jgc by Molmil](/molmil-images/mine/2jgc) | Structure of the human eIF4E homologous protein, 4EHP without ligand bound | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | Authors: | Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L. | Deposit date: | 2007-02-12 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms. J. Mol. Biol., 368, 2007
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6V63
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![BU of 6v63 by Molmil](/molmil-images/mine/6v63) | SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin, ... | Authors: | Dai, S, Horton, J.R, Cheng, X. | Deposit date: | 2019-12-04 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation. J.Biol.Chem., 295, 2020
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