8OLX
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![BU of 8olx by Molmil](/molmil-images/mine/8olx) | MutSbeta bound to (CAG)2 DNA (canonical form) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein Msh2, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-30 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | MutSbeta bound to (CAG)2 DNA (canonical form) To Be Published
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8DYO
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![BU of 8dyo by Molmil](/molmil-images/mine/8dyo) | Cryo-EM structure of Importin-4 bound to RanGTP | Descriptor: | GTP-binding nuclear protein GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, Importin-4, ... | Authors: | Bernardes, N.E, Fung, H.Y.J, Li, Y, Chen, Z, Chook, Y.M. | Deposit date: | 2022-08-04 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Structure of IMPORTIN-4 bound to the H3-H4-ASF1 histone-histone chaperone complex. Proc.Natl.Acad.Sci.USA, 119, 2022
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8DU4
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![BU of 8du4 by Molmil](/molmil-images/mine/8du4) | Complex between RbBP5-WDR5 and an H2B-ubiquitinated nucleosome | Descriptor: | 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C. | Deposit date: | 2022-07-26 | Release date: | 2022-09-21 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome. Proc.Natl.Acad.Sci.USA, 119, 2022
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1B9M
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![BU of 1b9m by Molmil](/molmil-images/mine/1b9m) | REGULATOR FROM ESCHERICHIA COLI | Descriptor: | NICKEL (II) ION, PROTEIN (MODE) | Authors: | Hall, D.R, Gourley, D.G, Hunter, W.N. | Deposit date: | 1999-02-12 | Release date: | 2000-03-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The high-resolution crystal structure of the molybdate-dependent transcriptional regulator (ModE) from Escherichia coli: a novel combination of domain folds. EMBO J., 18, 1999
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8OM5
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![BU of 8om5 by Molmil](/molmil-images/mine/8om5) | DNA-free open form of MutSbeta | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | DNA-free open form of MutSbeta To Be Published
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8OP0
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![BU of 8op0 by Molmil](/molmil-images/mine/8op0) | VHH Z70 mutant 20 in interaction with PHF6 Tau peptide | Descriptor: | Tau PHF6 peptide, VHH Z70 mutant 20 | Authors: | Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I. | Deposit date: | 2023-04-06 | Release date: | 2023-05-31 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the tau intrinsically disordered protein. J.Biol.Chem., 300, 2024
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4TRI
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![BU of 4tri by Molmil](/molmil-images/mine/4tri) | |
5LMW
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![BU of 5lmw by Molmil](/molmil-images/mine/5lmw) | Llama nanobody PorM_02 | Descriptor: | GLYCEROL, Nanobody | Authors: | Roche, J, Gaubert, A, Leone, P, Roussel, A. | Deposit date: | 2016-08-01 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis. Acta Crystallogr F Struct Biol Commun, 73, 2017
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7ZHZ
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5LYY
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![BU of 5lyy by Molmil](/molmil-images/mine/5lyy) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione, Platelet-activating factor acetylhydrolase | Authors: | Woolford, A, Day, P. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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8OMO
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![BU of 8omo by Molmil](/molmil-images/mine/8omo) | DNA-unbound MutSbeta-ATP complex (bent clamp form) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | DNA-unbound MutSbeta-ATP complex (bent clamp form) To Be Published
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8BUU
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![BU of 8buu by Molmil](/molmil-images/mine/8buu) | ARE-ABCF VmlR2 bound to a 70S ribosome | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Crowe-McAuliffe, C, Wilson, D.N. | Deposit date: | 2022-11-30 | Release date: | 2023-04-05 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Genome-encoded ABCF factors implicated in intrinsic antibiotic resistance in Gram-positive bacteria: VmlR2, Ard1 and CplR. Nucleic Acids Res., 51, 2023
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8OMA
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![BU of 8oma by Molmil](/molmil-images/mine/8oma) | MutSbeta bound to 61bp homoduplex DNA | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | MutSbeta bound to 61bp homoduplex DNA To Be Published
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8OMQ
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![BU of 8omq by Molmil](/molmil-images/mine/8omq) | DNA-unbound MutSbeta-ATP complex (straight clamp form) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | DNA-unbound MutSbeta-ATP complex (straight clamp form) To Be Published
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6B11
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![BU of 6b11 by Molmil](/molmil-images/mine/6b11) | TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL) | Descriptor: | (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside, 1,2-ETHANEDIOL, 20-oxo-5-O-mycaminosyltylactone 23-monooxygenase, ... | Authors: | DeMars, M.D, Sherman, D.H, Podust, L.M. | Deposit date: | 2017-09-15 | Release date: | 2018-12-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL) To Be Published
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8BJG
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![BU of 8bjg by Molmil](/molmil-images/mine/8bjg) | |
8OM8
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![BU of 8om8 by Molmil](/molmil-images/mine/8om8) | X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure A) | Descriptor: | 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4, ACETATE ION, CHLORIDE ION, ... | Authors: | Paolillo, M, Ferraro, G, Merlino, A. | Deposit date: | 2023-03-31 | Release date: | 2023-06-07 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs. Inorg.Chem., 62, 2023
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1AO8
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![BU of 1ao8 by Molmil](/molmil-images/mine/1ao8) | DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE, NMR, 21 STRUCTURES | Descriptor: | DIHYDROFOLATE REDUCTASE, METHOTREXATE | Authors: | Gargaro, A.R, Soteriou, A, Frenkiel, T.A, Bauer, C.J, Birdsall, B, Polshakov, V.I, Barsukov, I.L, Roberts, G.C.K, Feeney, J. | Deposit date: | 1997-07-22 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of the complex of Lactobacillus casei dihydrofolate reductase with methotrexate. J.Mol.Biol., 277, 1998
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5LRE
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![BU of 5lre by Molmil](/molmil-images/mine/5lre) | Crystal structure of Glycogen Phosphorylase b in complex with KS382 | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Kantsadi, A.L, Stravodimos, G.A, Kyriakis, E, Chatzileontiadou, D.S.M, Leonidas, D.D. | Deposit date: | 2016-08-18 | Release date: | 2017-05-31 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase. Eur J Med Chem, 123, 2016
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8OMT
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![BU of 8omt by Molmil](/molmil-images/mine/8omt) | X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure C) | Descriptor: | 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, ... | Authors: | Paolillo, M, Merlino, A, Ferraro, G. | Deposit date: | 2023-03-31 | Release date: | 2023-06-07 | Method: | X-RAY DIFFRACTION (1.097 Å) | Cite: | Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs. Inorg.Chem., 62, 2023
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6AZU
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![BU of 6azu by Molmil](/molmil-images/mine/6azu) | Holo IDO1 crystal structure | Descriptor: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Lewis, H.A, Yan, C. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.822 Å) | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8BJN
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![BU of 8bjn by Molmil](/molmil-images/mine/8bjn) | Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 6 | Descriptor: | 14-3-3 protein sigma, 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2022-11-04 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach. J.Am.Chem.Soc., 145, 2023
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8OMS
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6AX7
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![BU of 6ax7 by Molmil](/molmil-images/mine/6ax7) | The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus | Descriptor: | FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase | Authors: | Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M. | Deposit date: | 2017-09-06 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding. Nat Commun, 9, 2018
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5M0E
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![BU of 5m0e by Molmil](/molmil-images/mine/5m0e) | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | Deposit date: | 2016-10-04 | Release date: | 2017-08-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators. J. Med. Chem., 60, 2017
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