8PWZ
 
 | | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadBD from Mycobacterium tuberculosis | | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadB, UPF0336 protein Rv0504c | | Authors: | Rima, J, Grimoire, Y, Bories, P, Bardou, F, Quemard, A, Bon, C, Mourey, L, Tranier, S. | | Deposit date: | 2023-07-22 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.00196719 Å) | | Cite: | HadBD dehydratase from Mycobacterium tuberculosis fatty acid synthase type II: A singular structure for a unique function.
Protein Sci., 33, 2024
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4UF0
 | | Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid. | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, FE (II) ION, ... | | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2014-12-22 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
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1VK1
 | | Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001 | | Descriptor: | Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-04-13 | | Release date: | 2004-08-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | (NZ)CH...O contacts assist crystallization of a ParB-like nuclease.
Bmc Struct.Biol., 7, 2007
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8V3D
 | | AgamOR28 structure bound to 2,4,5-trimethylthiazole | | Descriptor: | 2,4,5-trimethyl-1,3-thiazole, OR28, Odorant receptor Orco | | Authors: | Zhao, J, del Marmol, J. | | Deposit date: | 2023-11-27 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis of odor sensing by insect heteromeric odorant receptors.
Science, 384, 2024
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8V00
 | | AaegOR10 apo structure | | Descriptor: | Odorant receptor OR10, Odorant receptor Orco | | Authors: | Zhao, J, del Marmol, J. | | Deposit date: | 2023-11-16 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural basis of odor sensing by insect heteromeric odorant receptors.
Science, 384, 2024
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5K56
 | | Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2016-05-23 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structural studies of human muscle FBPase
To Be Published
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7T0Z
 | | Complex of GABA-A synaptic receptor with autoimmune antibody Fab175 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab175 IgG1 heavy chain, ... | | Authors: | Noviello, C.M, Hibbs, R.E, Kreye, J, Teng, J, Pruss, H. | | Deposit date: | 2021-11-30 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural mechanisms of GABA A receptor autoimmune encephalitis.
Cell, 185, 2022
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8V3C
 | | AgamOR28 structure without ligand | | Descriptor: | OR28, Odorant receptor Orco | | Authors: | Zhao, J, del Marmol, J. | | Deposit date: | 2023-11-27 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Structural basis of odor sensing by insect heteromeric odorant receptors.
Science, 384, 2024
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6QYO
 | | Structure of MBP-Mcl-1 in complex with compound 18a | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-09 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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5AJW
 | | Human PFKFB3 in complex with an indole inhibitor 2 | | Descriptor: | 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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8HVU
 | | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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4U7O
 | | Active histidine kinase bound with ATP | | Descriptor: | AMP PHOSPHORAMIDATE, Histidine protein kinase sensor protein | | Authors: | Cai, Y, Hu, X, Sang, J. | | Deposit date: | 2014-07-31 | | Release date: | 2015-09-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
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6HBN
 | | HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | | Descriptor: | 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Niefind, K, Hochscherf, J, Dimper, V, Witulski, B, Lindenblatt, D, Jose, J, Le Borgne, M. | | Deposit date: | 2018-08-10 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
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8HVV
 | | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zeng, X.Y, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVX
 | | Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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4ZUS
 | | Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide REV-QW11 | | Descriptor: | Beta-2-microglobulin, Classical MHC class I antigen, GLN-ALA-GLU-VAL-LEU-GLN-GLU-ARG-LEU-GLU-TRP | | Authors: | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | | Deposit date: | 2015-05-17 | | Release date: | 2016-04-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles
J Immunol., 196, 2016
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7MBH
 | | Structure of Human Enolase 2 in complex with phosphoserine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ... | | Authors: | Leonard, P.G, Hicks, K.G, Rutter, J. | | Deposit date: | 2021-03-31 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
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4ZUW
 | | Crystal structure of Equine MHC I(Eqca-N*00601) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-GW12 | | Descriptor: | Beta-2-microglobulin, Classical MHC class I antigen, GLY-SER-GLN-LYS-LEU-THR-THR-GLY-ASN-CYS-ASN-TRP | | Authors: | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | | Deposit date: | 2015-05-17 | | Release date: | 2016-04-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles
J Immunol., 196, 2016
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7SG0
 | | W316 TCR in complex with HLA-DQ2-omega1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ2-glia-omega1 peptide, ... | | Authors: | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | | Deposit date: | 2021-10-04 | | Release date: | 2022-02-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease.
J.Biol.Chem., 298, 2022
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7SG1
 | | XPA5 TCR in complex with HLA-DQ2-alpha1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | | Deposit date: | 2021-10-04 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease.
J.Biol.Chem., 298, 2022
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8HVZ
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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5AK0
 | | Human PFKFB3 in complex with an indole inhibitor 6 | | Descriptor: | (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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7SG2
 | | XPA5 TCR in complex with HLA-DQ2-omega1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | | Deposit date: | 2021-10-04 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease.
J.Biol.Chem., 298, 2022
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4TWC
 | | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4- carboxamide derivatives as potent inhibitors of CK1d/e | | Descriptor: | 2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide, Casein kinase I isoform delta, DIMETHYL SULFOXIDE, ... | | Authors: | Bischof, J, Leban, L, Zaja, M, Grothey, A, Radunsky, B, Othersen, O, Strobl, S, Vitt, D, Knippschild, U. | | Deposit date: | 2014-06-30 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4-carboxamide derivatives as potent inhibitors of CK1d/e.
Amino Acids, 43, 2012
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7NEG
 | | Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody COVOX-269 Fab heavy chain, Antibody COVOX-269 Fab light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-02-04 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021
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