5T4E
| Human DPP4 in complex with ligand 19a | Descriptor: | 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2016-08-29 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg.Med.Chem., 24, 2016
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4A6Q
| Crystal structure of mouse SAP18 residues 6-143 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, HISTONE DEACETYLASE COMPLEX SUBUNIT SAP18, ISOPROPYL ALCOHOL | Authors: | Murachelli, A.G, Ebert, J, Basquin, C, Le Hir, H, Conti, E. | Deposit date: | 2011-11-08 | Release date: | 2012-03-07 | Last modified: | 2015-03-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Structure of the Asap Core Complex Reveals the Existence of a Pinin-Containing Psap Complex Nat.Struct.Mol.Biol., 19, 2012
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6QPB
| Cryo-EM structure of calcium-free mTMEM16F lipid scramblase in digitonin | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-6 | Authors: | Alvadia, C, Lim, N.K, Clerico Mosina, V, Oostergetel, G.T, Dutzler, R, Paulino, C. | Deposit date: | 2019-02-13 | Release date: | 2019-03-06 | Last modified: | 2019-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures and functional characterization of the murine lipid scramblase TMEM16F. Elife, 8, 2019
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5SY6
| Atomic resolution structure of human DJ-1, DTT bound | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Protein deglycase DJ-1 | Authors: | Wilson, M.A, Lin, J. | Deposit date: | 2016-08-10 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons. Biochemistry, 56, 2017
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5T0B
| Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus in complex with 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ... | Authors: | Wilson, I.A, Tzarum, N, Zhu, X. | Deposit date: | 2016-08-15 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors. EMBO Mol Med, 9, 2017
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3X2V
| Michaelis-like complex of cAMP-dependent Protein Kinase Catalytic Subunit | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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5T4F
| Human DPP4 in complex with ligand 34p | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile, ... | Authors: | Scapin, G. | Deposit date: | 2016-08-29 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg.Med.Chem., 24, 2016
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5T37
| crystal structure of mPGES-1 bound to inhibitor | Descriptor: | 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide, GLUTATHIONE, Prostaglandin E synthase, ... | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | Deposit date: | 2016-08-24 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg. Med. Chem. Lett., 27, 2017
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5UIJ
| X-ray structure of The FdtF N-formyltransferase from Salmonella enteric O60 in complex with TDP | Descriptor: | 1,2-ETHANEDIOL, Formyltransferase, SODIUM ION, ... | Authors: | Thoden, J.B, Woodford, C.R, Holden, H.M. | Deposit date: | 2017-01-14 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular architecture of an N-formyltransferase from Salmonella enterica O60. J. Struct. Biol., 200, 2017
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5UOH
| Crystal Structure of Hip1 (Rv2224c) T466A mutant | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Baikovitz, J, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-31 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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5UUI
| Crystal Structure of Spin-Labeled T77C TNFa | Descriptor: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Tumor necrosis factor | Authors: | Horanyi, P.S, Dranow, D.M, Ceska, T. | Deposit date: | 2017-02-16 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Natural Conformational Sampling of Human TNF alpha Visualized by Double Electron-Electron Resonance. Biophys. J., 113, 2017
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5UYN
| 70S ribosome bound with near-cognate ternary complex not base-paired to A site codon (Structure I-nc) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A. | Deposit date: | 2017-02-24 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Ensemble cryo-EM elucidates the mechanism of translation fidelity Nature, 546, 2017
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4AE9
| Structure and function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit C alpha 2 | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA | Authors: | Hereng, T.H, Backe, P.H, Kahmann, J, Scheich, C, Bjoras, M, Skalhegg, B.S, Rosendal, K.R. | Deposit date: | 2012-01-09 | Release date: | 2012-04-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase a (Pka) Catalytic Subunit Calpha2 J.Struct.Biol., 178, 2012
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5UIN
| X-ray structure of the W305A variant of the FdtF N-formyltransferase from salmonella enteric O60 | Descriptor: | CHLORIDE ION, Formyltransferase, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ... | Authors: | Woodford, C.R, Thoden, J.B, Holden, H.M. | Deposit date: | 2017-01-14 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular architecture of an N-formyltransferase from Salmonella enterica O60. J. Struct. Biol., 200, 2017
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4APC
| Crystal Structure of Human NIMA-related Kinase 1 (NEK1) | Descriptor: | CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1 | Authors: | Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2012-04-02 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin. Sci Rep, 7, 2017
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4A8X
| Structure of the core ASAP complex | Descriptor: | HISTONE DEACETYLASE COMPLEX SUBUNIT SAP18, HOOK-LIKE, ISOFORM A, ... | Authors: | Murachelli, A.G, Ebert, J, Basquin, C, Le Hir, H, Conti, E. | Deposit date: | 2011-11-21 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of the Asap Core Complex Reveals the Existence of a Pinin-Containing Psap Complex Nat.Struct.Mol.Biol., 19, 2012
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5UYM
| 70S ribosome bound with cognate ternary complex base-paired to A site codon, closed 30S (Structure III) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A. | Deposit date: | 2017-02-24 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Ensemble cryo-EM elucidates the mechanism of translation fidelity Nature, 546, 2017
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5UYQ
| 70S ribosome bound with near-cognate ternary complex base-paired to A site codon, closed 30S (Structure III-nc) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A. | Deposit date: | 2017-02-24 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ensemble cryo-EM elucidates the mechanism of translation fidelity Nature, 546, 2017
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2K20
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5UIL
| X-ray structure of the FdtF N-formyltransferase from Salmonella enterica O60 in complex with TDP-Fuc3N and tetrahydrofolate | Descriptor: | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, Formyltransferase, N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | Authors: | Woodford, C.R, Thoden, J.B, Holden, H.M. | Deposit date: | 2017-01-14 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular architecture of an N-formyltransferase from Salmonella enterica O60. J. Struct. Biol., 200, 2017
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5ULM
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5UN7
| Structure of the human POT1-TPP1 telomeric complex | Descriptor: | Adrenocortical dysplasia protein homolog, POTASSIUM ION, Protection of telomeres protein 1, ... | Authors: | Rice, C, Doukov, T, Skordalakes, E. | Deposit date: | 2017-01-30 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional analysis of the human POT1-TPP1 telomeric complex. Nat Commun, 8, 2017
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4A90
| Crystal structure of mouse SAP18 residues 1-143 | Descriptor: | GLYCEROL, HISTONE DEACETYLASE COMPLEX SUBUNIT SAP18 | Authors: | Murachelli, A.G, Ebert, J, Basquin, C, Le Hir, H, Conti, E. | Deposit date: | 2011-11-22 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of the Asap Core Complex Reveals the Existence of a Pinin-Containing Psap Complex Nat.Struct.Mol.Biol., 19, 2012
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5V60
| Phospho-ERK2 bound to AMP-PCP | Descriptor: | GLYCEROL, MAGNESIUM ION, Mitogen-activated protein kinase 1, ... | Authors: | Lechtenberg, B.C, Riedl, S.J. | Deposit date: | 2017-03-15 | Release date: | 2017-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
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2HA4
| Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with acetylcholine | Descriptor: | ACETATE ION, ACETYLCHOLINE, Acetylcholinesterase, ... | Authors: | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | Deposit date: | 2006-06-12 | Release date: | 2006-07-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding J.Biol.Chem., 281, 2006
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