PDB: 66724 resultsInfo pagesStatus searchChemie searchBIRD

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7OQ9	Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136 Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... Authors: Centorrino, F, Ottmann, C. Deposit date: 2021-06-02 Release date: 2022-08-10 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A crystallography-based study of fragment extensions into the 14-3-3 binding groove To Be Published
6BFM	Galactose-binding Lectin from Mytilus californianus, Isoform1 Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Hernandez-Santoyo, A, Garcia-Maldonado, E. Deposit date: 2017-10-26 Release date: 2019-01-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.488 Å) Cite: Glycan-induced oligomerization of a lectin from Mytilus californianus To Be Published
7RMB	Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-78 Descriptor: 3C-like proteinase, 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione Authors: Kovalevsky, A, Kneller, D.W, Coates, L. Deposit date: 2021-07-27 Release date: 2021-11-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
7OQA	Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162 Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... Authors: Centorrino, F, Ottmann, C. Deposit date: 2021-06-02 Release date: 2022-08-10 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A crystallography-based study of fragment extensions into the 14-3-3 binding groove To Be Published
7RN4	Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-69 Descriptor: 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione Authors: Kovalevsky, A, Kneller, D.W, Coates, L. Deposit date: 2021-07-29 Release date: 2021-11-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
5GXW	Importin and NuMA complex Descriptor: Importin subunit alpha-1, Peptide from Nuclear mitotic apparatus protein 1 Authors: Chang, C.-C, Huang, T.-L, Hsia, K.-C. Deposit date: 2016-09-20 Release date: 2017-10-04 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.394 Å) Cite: Regulation of mitotic spindle assembly factor NuMA by Importin-beta J. Cell Biol., 216, 2017
6APN	HLA-A*0201 single chain trimer with HPV.16 E7 peptide LLMGTLGIV Descriptor: Beta-2-microglobulin--HLA-A*0201--HPV.16 E7 peptide LLMGTLGIV chimera Authors: Finton, K.A.K. Deposit date: 2017-08-17 Release date: 2018-08-22 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Effects of HLA single chain trimer design on peptide presentation and stability To Be Published
7RMZ	Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-63 Descriptor: 3C-like proteinase, 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione Authors: Kovalevsky, A, Kneller, D.W, Coates, L. Deposit date: 2021-07-28 Release date: 2021-11-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
6APP	Anti-Marburgvirus Nucleoprotein Single Domain Antibody A Complexed with Nucleoprotein C-terminal domain Descriptor: Anti-Marburgvirus Nucleoprotein Single Domain Antibody A, Nucleoprotein Authors: Taylor, A.B, Garza, J.A. Deposit date: 2017-08-17 Release date: 2017-10-11 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies. Front Immunol, 8, 2017
6AUG	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with SR16832 Descriptor: 2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid Authors: Shang, J, Kojetin, D.J. Deposit date: 2017-08-31 Release date: 2018-09-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.73 Å) Cite: Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma. Elife, 7, 2018
5FF6	Cetuximab Fab in complex with L10Q meditope variant Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... Authors: Bzymek, K.P, Williams, J.C. Deposit date: 2015-12-17 Release date: 2016-10-26 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
6AVA	Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox Descriptor: Insectotoxin-I1 Authors: Gewe, M.M, Rupert, P, Strong, R.K. Deposit date: 2017-09-01 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Screening, large-scale production and structure-based classification of cystine-dense peptides. Nat. Struct. Mol. Biol., 25, 2018
6ATW	Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox Descriptor: Chlorotoxin Authors: Gewe, M.M, Rupert, P, Strong, R.K. Deposit date: 2017-08-29 Release date: 2018-02-28 Last modified: 2018-03-14 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Screening, large-scale production and structure-based classification of cystine-dense peptides. Nat. Struct. Mol. Biol., 25, 2018
6AW0	Crystal structure of CEACAM3 L44Q Descriptor: CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 3, GLYCEROL, ... Authors: Bonsor, D.A, Sundberg, E.J. Deposit date: 2017-09-05 Release date: 2018-05-16 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.43 Å) Cite: TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA. EMBO J., 37, 2018
7CWK	Structure of a triple-helix region of human collagen type I Descriptor: Collagen type I Authors: Zhu, Y, Yang, X, Sun, F. Deposit date: 2020-08-29 Release date: 2021-09-01 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.539 Å) Cite: Conformation in a triple-helix region of human collagen type I To Be Published
6AY7	Cartilage homing cysteine-dense-peptides Descriptor: CHLORIDE ION, Potassium channel toxin alpha-KTx 3.5, SULFATE ION, ... Authors: Gewe, M.M, Strong, R.K. Deposit date: 2017-09-07 Release date: 2018-08-22 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Cartilage homing cysteine-dense-peptides To Be Published
6AYD	Pim1 complexed with N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide Descriptor: N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide, Serine/threonine-protein kinase pim-1 Authors: Shewchuk, L.M, Henley, Z.A. Deposit date: 2017-09-08 Release date: 2017-12-27 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3 Å) Cite: From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome. ACS Med Chem Lett, 8, 2017
6BC6	Cryo X-ray structure of apo AAC-VIa Descriptor: AAC 3-VI protein, MAGNESIUM ION Authors: Cuneo, M.J, Kumar, P. Deposit date: 2017-10-20 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.2 Å) Cite: A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad. Sci Adv, 4, 2018
6AZL	Structure of cetuximab with aminoheptanoic acid-linked N-carboxyethylarginine meditope variant Descriptor: SULFATE ION, cetuximab Fab heavy chain, cetuximab Fab light chain, ... Authors: Bzymek, K.P, Williams, J.C. Deposit date: 2017-09-11 Release date: 2017-12-13 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.482 Å) Cite: Meditope-Fab interaction: threading the hole. Acta Crystallogr F Struct Biol Commun, 73, 2017
7D9M	grass carp interleukin-2 Descriptor: Interleukin Authors: Junya, w, Jun, z. Deposit date: 2020-10-13 Release date: 2020-10-28 Last modified: 2020-11-11 Method: X-RAY DIFFRACTION (2.66 Å) Cite: Structural insights into the co-evolution of IL-2 and its private receptor in fish. Dev.Comp.Immunol., 115, 2020
5EMS	Crystal Structure of an iodinated insulin analog Descriptor: CHLORIDE ION, Insulin, PHENOL, ... Authors: Lawrence, M.C, Pandyarajan, V, Wan, Z, Weiss, M.A. Deposit date: 2015-11-06 Release date: 2016-11-16 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Extending Halogen-based Medicinal Chemistry to Proteins: IODO-INSULIN AS A CASE STUDY. J. Biol. Chem., 291, 2016
5EUK	Cetuximab Fab in complex with F3H meditope variant Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... Authors: Bzymek, K.P, Williams, J.C. Deposit date: 2015-11-18 Release date: 2016-10-26 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
7D2A	CBM32 of AlyQ in complex with 4,5-unsaturated mannuronic acid Descriptor: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, AlyQ, CALCIUM ION, ... Authors: Teh, A.H, Sim, P.F. Deposit date: 2020-09-16 Release date: 2020-12-30 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Structural basis for binding uronic acids by family 32 carbohydrate-binding modules. Biochem.Biophys.Res.Commun., 533, 2020
8BR4	Structure of GAPDH from Mycobacterium tuberculosis Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Kumar, A, Karthikeyan, S. Deposit date: 2022-11-22 Release date: 2023-11-01 Method: X-RAY DIFFRACTION (3.29 Å) Cite: Structure of GAPDH from Mycobacterium tuberculosis To Be Published
6B63	IMPase (AF2372) with 25 mM Asp Descriptor: (2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, ... Authors: Goldstein, R.I, Roberts, M. Deposit date: 2017-10-01 Release date: 2018-10-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.696 Å) Cite: Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372) To Be Published

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