5DMI
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6V1A
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![BU of 6v1a by Molmil](/molmil-images/mine/6v1a) | immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 74cit69-81, 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 (2.29 Å) | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR. Sci Immunol, 6, 2021
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6V13
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![BU of 6v13 by Molmil](/molmil-images/mine/6v13) | immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 74cit69-81, G08 TCR alpha chain, ... | Authors: | Lim, J.J, Rossjohn, J. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR. Sci Immunol, 6, 2021
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6V0Y
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![BU of 6v0y by Molmil](/molmil-images/mine/6v0y) | immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 72,74cit69-81, GLYCEROL, ... | Authors: | Lim, J.J, Rossjohn, J. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR. Sci Immunol, 6, 2021
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6V65
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![BU of 6v65 by Molmil](/molmil-images/mine/6v65) | Crystal structure of KRAS(GMPPNP)-NF1(GRD)-SPRED1 complex | Descriptor: | FORMIC ACID, GTPase KRas, MAGNESIUM ION, ... | Authors: | Yan, W, Simanshu, D.K. | Deposit date: | 2019-12-04 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.763 Å) | Cite: | Structural Insights into the SPRED1-Neurofibromin-KRAS Complex and Disruption of SPRED1-Neurofibromin Interaction by Oncogenic EGFR. Cell Rep, 32, 2020
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6V15
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![BU of 6v15 by Molmil](/molmil-images/mine/6v15) | immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 72,74cit69-81, G08 TCR alpha chain, ... | Authors: | Lim, J.J, Rossjohn, J. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR. Sci Immunol, 6, 2021
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6UPU
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6UPS
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6V19
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![BU of 6v19 by Molmil](/molmil-images/mine/6v19) | immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 72,74cit69-81, 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 (2.6 Å) | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR. Sci Immunol, 6, 2021
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6V6F
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6VDG
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![BU of 6vdg by Molmil](/molmil-images/mine/6vdg) | Crystal Structure of the Y182A HisF Mutant from Thermotoga maritima | Descriptor: | Imidazole glycerol phosphate synthase subunit HisF, PHOSPHATE ION | Authors: | Almeida, V.M, Matsuyama, B.Y, Farah, C.S, Marana, S.R. | Deposit date: | 2019-12-27 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Role of a high centrality residue in protein dynamics and thermal stability. J.Struct.Biol., 213, 2021
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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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7OY4
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![BU of 7oy4 by Molmil](/molmil-images/mine/7oy4) | VDR complex of a side-chain hydroxylated derivatives of lithocholic acid | Descriptor: | (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2021-06-23 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR). Bioorg.Chem., 115, 2021
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7OXZ
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![BU of 7oxz by Molmil](/molmil-images/mine/7oxz) | VDR complex with a side-chain hydroxylated derivative of lithocholic acid | Descriptor: | (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2021-06-23 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR). Bioorg.Chem., 115, 2021
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4YNK
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![BU of 4ynk by Molmil](/molmil-images/mine/4ynk) | Crystal structure of vitamin D receptor ligand binding domain complexed with a 19-norvitamin D compound | Descriptor: | (1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Coactivator peptide drip from cDNA FLJ50196, highly similar to Peroxisome proliferator-activated receptor-binding protein, ... | Authors: | Watarai, Y, Ikura, T, Ito, N. | Deposit date: | 2015-03-10 | Release date: | 2016-01-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis, Biological Activities, and X-ray Crystal Structural Analysis of 25-Hydroxy-25(or 26)-adamantyl-17-[20(22),23-diynyl]-21-norvitamin D Compounds J.Med.Chem., 58, 2015
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4BVU
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![BU of 4bvu by Molmil](/molmil-images/mine/4bvu) | Structure of Shigella effector OspG in complex with host UbcH5c- Ubiquitin conjugate | Descriptor: | PROTEIN KINASE OSPG, UBIQUITIN, UBIQUITIN-CONJUGATING ENZYME E2 D3 | Authors: | Pruneda, J.N, LeTrong, I, Stenkamp, R.E, Klevit, R.E, Brzovic, P.S. | Deposit date: | 2013-06-28 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | E2~Ub Conjugates Regulate the Kinase Activity of Shigella Effector Ospg During Pathogenesis. Embo J., 33, 2014
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7B39
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![BU of 7b39 by Molmil](/molmil-images/mine/7b39) | Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist | Descriptor: | (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | Authors: | Rochel, N. | Deposit date: | 2020-11-29 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Design, Synthesis, Evaluation and Structure of Allenic 1 alpha ,25-Dihydroxyvitamin D 3 Analogs with Locked Mobility at C-17. Chemistry, 27, 2021
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7CO1
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![BU of 7co1 by Molmil](/molmil-images/mine/7co1) | Crystal structure of SMAD2 in complex with wild-type CBP | Descriptor: | CREB-binding protein, Mothers against decapentaplegic homolog 2 | Authors: | Miyazono, K, Wada, H, Ito, T, Tanokura, M. | Deposit date: | 2020-08-03 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for transcriptional coactivator recognition by SMAD2 in TGF-beta signaling. Sci.Signal., 13, 2020
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7JRN
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![BU of 7jrn by Molmil](/molmil-images/mine/7jrn) | Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617 | Descriptor: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ... | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | Deposit date: | 2020-08-12 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay. Acs Cent.Sci., 7, 2021
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4K71
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![BU of 4k71 by Molmil](/molmil-images/mine/4k71) | Crystal structure of a high affinity Human Serum Albumin variant bound to the Neonatal Fc Receptor | Descriptor: | Beta-2-microglobulin, IgG receptor FcRn large subunit p51, SULFATE ION, ... | Authors: | Schmidt, M.M, Townson, S.A, Andreucci, A, Dombrowski, C, Erbe, D.V, King, B, Kovalchin, J.T, Masci, A, Murillo, A, Schirmer, E.B, Furfine, E.S, Barnes, T.M. | Deposit date: | 2013-04-16 | Release date: | 2013-10-23 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of an HSA/FcRn complex reveals recycling by competitive mimicry of HSA ligands at a pH-dependent hydrophobic interface. Structure, 21, 2013
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3TKC
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![BU of 3tkc by Molmil](/molmil-images/mine/3tkc) | Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2011-08-26 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains. Chemistry, 18, 2012
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6DFI
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6DFJ
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3P8X
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![BU of 3p8x by Molmil](/molmil-images/mine/3p8x) | Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18 | Descriptor: | (1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol, SULFATE ION, Vitamin D3 receptor | Authors: | Rochel, N, Sato, Y, Moras, D. | Deposit date: | 2010-10-15 | Release date: | 2011-08-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1 ,25-Dihydroxyvitamin D3 with Substituents at C-18 Chemmedchem, 6, 2011
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6BKL
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![BU of 6bkl by Molmil](/molmil-images/mine/6bkl) | Influenza A M2 transmembrane domain bound to rimantadine | Descriptor: | (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, Matrix protein 2, RIMANTADINE | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2017-11-08 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters. J. Am. Chem. Soc., 140, 2018
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