5XXF
 
 | | Crystal structure of Poz1, Tpz1 and Rap1 | | Descriptor: | Protection of telomeres protein poz1, Protection of telomeres protein tpz1, Rap1, ... | | Authors: | Xue, J, Chen, H, Wu, J, Lei, M. | | Deposit date: | 2017-07-03 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the fission yeast S. pombe telomeric Tpz1-Poz1-Rap1 complex.
Cell Res., 27, 2017
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6XFL
 | | Structural characterization of the type III secretion system pilotin-secretin complex InvH-InvG by NMR spectroscopy | | Descriptor: | Type 3 secretion system pilotin, Type 3 secretion system secretin | | Authors: | Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
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4MIJ
 | | Crystal structure of a Trap periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Galacturonate, space group P21 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, TRAP dicarboxylate transporter, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-08-31 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4ORY
 | | Three-dimensional structure of the C65A-K59A double mutant of Human lipocalin-type Prostaglandin D Synthase holo, second crystal form | | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Prostaglandin-H2 D-isomerase | | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | | Deposit date: | 2014-02-12 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
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5TSP
 | | Crystal structure of the catalytic domain of Clostridium perfringens neuraminidase (NanI) in complex with a CHES | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Sialidase | | Authors: | Lee, Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Kang, J.Y, Jin, M.S, Ryu, Y.B, Park, K.H, Eom, S.H. | | Deposit date: | 2016-10-31 | | Release date: | 2017-03-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Crystal structure of the catalytic domain of Clostridium perfringens neuraminidase in complex with a non-carbohydrate-based inhibitor, 2-(cyclohexylamino)ethanesulfonic acid
Biochem. Biophys. Res. Commun., 486, 2017
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8QAY
 | | Medicago truncatula HISN5 (IGPD) in complex with MN, FMT, ACT, CIT, EDO, SO4 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CITRIC ACID, ... | | Authors: | Witek, W, Ruszkowski, M. | | Deposit date: | 2023-08-23 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting.
Front Plant Sci, 15, 2024
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4N68
 | | Crystal structure of an internal FN3 domain from human Contactin-5 [PSI-NYSGRC-005804] | | Descriptor: | Contactin-5, SULFATE ION | | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2013-10-11 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of an internal FN3 domain from human Contactin-5 [PSI-NYSGRC-005804]
to be published
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4OS0
 | | Three-dimensional structure of the C65A-W54F double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form | | Descriptor: | Prostaglandin-H2 D-isomerase | | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | | Deposit date: | 2014-02-12 | | Release date: | 2014-08-06 | | Last modified: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
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4MNI
 | | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P6522 | | Descriptor: | BENZOYL-FORMIC ACID, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-10 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4OQJ
 | | Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmQ KS1 | | Descriptor: | GLYCEROL, PHOSPHATE ION, PKS, ... | | Authors: | Nocek, B, Mack, J, Endras, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2014-02-09 | | Release date: | 2014-03-19 | | Last modified: | 2016-11-02 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8QDX
 | | E. coli DNA gyrase bound to a DNA crossover | | Descriptor: | DNA gyrase subunit A, DNA gyrase subunit B, DNA minicircle | | Authors: | Vayssieres, M, Lamour, V. | | Deposit date: | 2023-08-30 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of DNA crossover capture by Escherichia coli DNA gyrase.
Science, 384, 2024
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8QAV
 | | Medicago truncatula HISN5 (IGPD) in complex with MN and IG2 | | Descriptor: | (2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION | | Authors: | Witek, W, Ruszkowski, M. | | Deposit date: | 2023-08-23 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.23 Å) | | Cite: | Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting.
Front Plant Sci, 15, 2024
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8QQS
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6P73
 | | Cytochrome-C-nitrite reductase | | Descriptor: | CALCIUM ION, Cytochrome c-552, HEME C | | Authors: | Schmidt, M, Pacheco, A. | | Deposit date: | 2019-06-04 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Trapping of a Putative Intermediate in the CytochromecNitrite Reductase (ccNiR)-Catalyzed Reduction of Nitrite: Implications for the ccNiR Reaction Mechanism.
J.Am.Chem.Soc., 141, 2019
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6Y8J
 | | Crystal structure of the apo form of a quaternary ammonium Rieske monooxygenase CntA | | Descriptor: | Carnitine monooxygenase oxygenase subunit, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | | Deposit date: | 2020-03-05 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
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6V58
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6V5G
 | | Coiled-coil Trimer with Ala:Leu:Lys Triad | | Descriptor: | Coiled-coil Trimer with Ala:Leu:Lys Triad, PENTAETHYLENE GLYCOL | | Authors: | Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L. | | Deposit date: | 2019-12-04 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
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5TVY
 | | Computationally Designed Fentanyl Binder - Fen49 | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A | | Authors: | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | | Deposit date: | 2016-11-10 | | Release date: | 2017-10-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
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6PIH
 | | Hexameric ArnA cryo-EM structure | | Descriptor: | Bifunctional polymyxin resistance protein ArnA, UDP-4-amino-4-deoxy-L-arabinose formyltransferase | | Authors: | Yang, M, Gehring, K. | | Deposit date: | 2019-06-26 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Cryo-electron microscopy structures of ArnA, a key enzyme for polymyxin resistance, revealed unexpected oligomerizations and domain movements.
J.Struct.Biol., 208, 2019
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5XG4
 | | Crystal structure of uPA in complex with quercetin | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Urokinase-type plasminogen activator | | Authors: | Jiang, L, Huang, M. | | Deposit date: | 2017-04-11 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A structural mechanism of flavonoids in inhibiting serine proteases
Food Funct, 8, 2017
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8CUY
 | | ACP1-KS-AT domains of mycobacterial Pks13 | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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6Y5B
 | | 5-HT3A receptor in Salipro (apo, asymmetric) | | Descriptor: | 5-hydroxytryptamine receptor 3A | | Authors: | Zhang, Y, Dijkman, P.M, Zou, R, Zandl-Lang, M, Sanchez, R.M, Eckhardt-Strelau, L, Koefeler, H, Vogel, H, Yuan, S, Kudryashev, M. | | Deposit date: | 2020-02-25 | | Release date: | 2020-12-23 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Asymmetric opening of the homopentameric 5-HT 3A serotonin receptor in lipid bilayers.
Nat Commun, 12, 2021
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6P9G
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 2-(4-oxoquinazolin-3(4H)-yl)propanoic acid | | Descriptor: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ... | | Authors: | Tempel, W, Mann, M.K, Harding, R.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-10 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
J.Med.Chem., 62, 2019
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4N8P
 | | Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711] | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Uncharacterized protein | | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2013-10-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711]
to be published
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6AYI
 | | Escherichia coli GusR | | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, HTH-type transcriptional regulator UidR | | Authors: | Little, M.S, Pellock, S.J. | | Deposit date: | 2017-09-08 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis for the regulation of beta-glucuronidase expression by human gut Enterobacteriaceae.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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