5DMI
 
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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