5SC9
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![BU of 5sc9 by Molmil](/molmil-images/mine/5sc9) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 29 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.685 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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7S7E
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![BU of 7s7e by Molmil](/molmil-images/mine/7s7e) | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-15 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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7S79
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![BU of 7s79 by Molmil](/molmil-images/mine/7s79) | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC PHOSPHONO-MLL PEPTIDE ANALOG | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-15 | Release date: | 2022-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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7S8J
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![BU of 7s8j by Molmil](/molmil-images/mine/7s8j) | PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, ORTHORHOMBIC CRYSTAL FORM | Descriptor: | CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-17 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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7S8I
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![BU of 7s8i by Molmil](/molmil-images/mine/7s8i) | PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, MONOCLINIC CRYSTAL FORM | Descriptor: | CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN | Authors: | Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-17 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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5SCL
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![BU of 5scl by Molmil](/molmil-images/mine/5scl) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 1 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, ALIZARIN RED, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.134 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SCC
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![BU of 5scc by Molmil](/molmil-images/mine/5scc) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 57 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.885 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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7S7D
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![BU of 7s7d by Molmil](/molmil-images/mine/7s7d) | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC SULFO-MLL PEPTIDE ANALOG | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-15 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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7S8E
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![BU of 7s8e by Molmil](/molmil-images/mine/7s8e) | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE AND BOUND GLYCEROL | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-17 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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7RZJ
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![BU of 7rzj by Molmil](/molmil-images/mine/7rzj) | CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-08-27 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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5SCD
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![BU of 5scd by Molmil](/molmil-images/mine/5scd) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 58 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.041 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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4HIQ
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![BU of 4hiq by Molmil](/molmil-images/mine/4hiq) | The Structure of V122I Mutant Transthyretin in Complex with AG10 | Descriptor: | 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin | Authors: | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | Deposit date: | 2012-10-11 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA, 110, 2013
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7S8F
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![BU of 7s8f by Molmil](/molmil-images/mine/7s8f) | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE AND BOUND GLYCEROL | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-17 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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6UF2
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![BU of 6uf2 by Molmil](/molmil-images/mine/6uf2) | |
5SCE
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![BU of 5sce by Molmil](/molmil-images/mine/5sce) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 55 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SCH
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![BU of 5sch by Molmil](/molmil-images/mine/5sch) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 100 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SC8
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![BU of 5sc8 by Molmil](/molmil-images/mine/5sc8) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 17 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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4HIS
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![BU of 4his by Molmil](/molmil-images/mine/4his) | The Structure of V122I Mutant Transthyretin in Complex with Tafamidis | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | Authors: | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | Deposit date: | 2012-10-11 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA, 110, 2013
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5SCA
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![BU of 5sca by Molmil](/molmil-images/mine/5sca) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 36 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.918 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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4HMG
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![BU of 4hmg by Molmil](/molmil-images/mine/4hmg) | REFINEMENT OF THE INFLUENZA VIRUS HEMAGGLUTININ BY SIMULATED ANNEALING | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, CHAIN HA1, ... | Authors: | Weis, W.I, Bruenger, A.T, Skehel, J.J, Wiley, D.C. | Deposit date: | 1989-09-11 | Release date: | 1991-01-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Refinement of the influenza virus hemagglutinin by simulated annealing. J.Mol.Biol., 212, 1990
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5X6R
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![BU of 5x6r by Molmil](/molmil-images/mine/5x6r) | |
5X8L
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![BU of 5x8l by Molmil](/molmil-images/mine/5x8l) | PD-L1 in complex with atezolizumab | Descriptor: | Programmed cell death 1 ligand 1, atezolizumab heavy chain, atezolizumab light chain | Authors: | Heo, Y.S, Lee, H.T. | Deposit date: | 2017-03-03 | Release date: | 2017-08-16 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Molecular mechanism of PD-1/PD-L1 blockade via anti-PD-L1 antibodies atezolizumab and durvalumab Sci Rep, 7, 2017
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7ADV
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![BU of 7adv by Molmil](/molmil-images/mine/7adv) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ447 (compound 6v) | Descriptor: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | Authors: | Pye, V.E, Cherepanov, P. | Deposit date: | 2020-09-16 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants. Acs Infect Dis., 7, 2021
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8FX5
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![BU of 8fx5 by Molmil](/molmil-images/mine/8fx5) | Human M4 muscarinic acetylcholine receptor complex with Gi1 and xanomeline | Descriptor: | Antibody fragment scFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Vuckovic, Z, Mobbs, J.I, Glukhova, A, Sexton, P.M, Danev, R, Thal, D.M. | Deposit date: | 2023-01-23 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (2.45 Å) | Cite: | Xanomeline displays concomitant orthosteric and allosteric binding modes at the M 4 mAChR. Nat Commun, 14, 2023
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5EKZ
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![BU of 5ekz by Molmil](/molmil-images/mine/5ekz) | Crystal structure of mouse Taco1 | Descriptor: | Translational activator of cytochrome c oxidase 1 | Authors: | Spahr, H, Richman, T.R, Larsson, N.G, Rackham, O, Filipovska, A. | Deposit date: | 2015-11-04 | Release date: | 2016-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Loss of the RNA-binding protein TACO1 causes late-onset mitochondrial dysfunction in mice. Nat Commun, 7, 2016
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