6PV7
 
 | | Human alpha3beta4 nicotinic acetylcholine receptor in complex with nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gharpure, A, Teng, J, Zhuang, Y, Noviello, C.M, Walsh, R.M, Cabuco, R, Howard, R.J, Zaveri, N.T, Lindahl, E, Hibbs, R.E. | | Deposit date: | 2019-07-19 | | Release date: | 2019-09-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Agonist Selectivity and Ion Permeation in the alpha 3 beta 4 Ganglionic Nicotinic Receptor.
Neuron, 104, 2019
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6Z1H
 | | Ancestral glycosidase (family 1) | | Descriptor: | ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | | Deposit date: | 2020-05-13 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
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6FRJ
 | | Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ... | | Authors: | Companon, I, Castro-Lopez, J, Escudero-Casao, M, Avenoza, A, Busto, J.H, Castillon, S, Jimenez-Barbero, J, Bernardes, G.J, Boutureira, O, Jimenez-Oses, G, Asensio, J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | | Deposit date: | 2018-02-16 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J. Am. Chem. Soc., 141, 2019
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6PSG
 | | Crystal Structure of Class D Beta-lactamase OXA-48 with Faropenem | | Descriptor: | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48, ... | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2019-07-12 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
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2JEO
 | | Crystal structure of human uridine-cytidine kinase 1 | | Descriptor: | URIDINE-CYTIDINE KINASE 1 | | Authors: | Kosinska, U, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E.P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-18 | | Release date: | 2007-01-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Human Uridine-Cytidine Kinase 1
To be Published
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7FA0
 | | The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide Asparaginyl Ligases, ... | | Authors: | Hu, S, Sahili, A, Lescar, J. | | Deposit date: | 2021-07-05 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase.
Plant Cell, 34, 2022
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6PYZ
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site | | Descriptor: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | Deposit date: | 2019-07-31 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
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6G5L
 | | Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2018-03-29 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
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6G5Y
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1YZ1
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6PY3
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2JFK
 | | Structure of the MAT domain of human FAS with malonyl-CoA | | Descriptor: | COENZYME A, FATTY ACID SYNTHASE | | Authors: | Bunkoczi, G, Kavanagh, K, Hozjan, V, Rojkova, A, Watt, S, Wu, X, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Smith, S, Oppermann, U. | | Deposit date: | 2007-02-02 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the MAT Domain of Human Fas with Malonyl-Coa
To be Published
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3FUC
 | | Recombinant calf purine nucleoside phosphorylase in a binary complex with multisubstrate analogue inhibitor 9-(5',5'-difluoro-5'-phosphonopentyl)-9-deazaguanine structure in a new space group with one full trimer in the asymmetric unit | | Descriptor: | AZIDE ION, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | | Authors: | Bochtler, M, Breer, K, Bzowska, A, Chojnowski, G, Hashimoto, M, Hikishima, S, Narczyk, M, Wielgus-Kutrowska, B, Yokomatsu, T. | | Deposit date: | 2009-01-14 | | Release date: | 2009-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 1.45 A resolution crystal structure of recombinant PNP in complex with a pM multisubstrate analogue inhibitor bearing one feature of the postulated transition state.
Biochem.Biophys.Res.Commun., 391, 2010
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6PTU
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2JI4
 | | Human phosphoribosylpyrophosphate synthetase - associated protein 41 (PAP41) | | Descriptor: | CHLORIDE ION, PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE-ASSOCIATED PROTEIN 2 | | Authors: | Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | | Deposit date: | 2007-02-26 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Human Phosphoribosylpyrophosphate Synthetase -Associated Protein 41 (Pap41)
To be Published
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6PU3
 | | ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori | | Descriptor: | Heme-binding protein A, SER-THR-SER-ALA | | Authors: | Rahman, M.M, Machuca, M.A, Khan, M.F, Barlow, C.K, Schittenhelm, R.B, Roujeinikova, A. | | Deposit date: | 2019-07-16 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis of Unexpected Specificity of ABC Transporter-Associated Substrate-Binding Protein DppA from Helicobacter pylori.
J.Bacteriol., 201, 2019
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3FW7
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6Q7K
 | | ERK2 mini-fragment binding | | Descriptor: | 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-13 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6Q85
 | | Structure of Fucosylated D-antimicrobial peptide SB11 in complex with the Fucose-binding lectin PA-IIL at 1.990 Angstrom resolution | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.-L. | | Deposit date: | 2018-12-14 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
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1B3T
 | | EBNA-1 NUCLEAR PROTEIN/DNA COMPLEX | | Descriptor: | DNA (5'-D(*GP*GP*GP*AP*AP*GP*CP*AP*TP*AP*TP*GP*CP*TP*TP*CP*CP*C)-3'), PROTEIN (NUCLEAR PROTEIN EBNA1) | | Authors: | Bochkarev, A, Bochkareva, E, Edwards, A, Frappier, L. | | Deposit date: | 1998-12-14 | | Release date: | 1998-12-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The 2.2 A structure of a permanganate-sensitive DNA site bound by the Epstein-Barr virus origin binding protein, EBNA1.
J.Mol.Biol., 284, 1998
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6PXY
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6PYY
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site and Exo site | | Descriptor: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | Deposit date: | 2019-07-31 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
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2BZI
 | | CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU2 | | Descriptor: | PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1, RU-PYRIDOCARBAZOLE-2 | | Authors: | Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. | | Deposit date: | 2005-08-18 | | Release date: | 2005-12-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands
To be Published
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1JMX
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4JEB
 | | Crystal structure of an engineered RIDC1 tetramer with four interfacial disulfide bonds and four three-coordinate Zn(II) sites | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, soluble cytochrome b562 | | Authors: | Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D. | | Deposit date: | 2013-02-26 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
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