2WR1
 
 | | structure of influenza H2 hemagglutinin with human receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ... | | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2009-08-29 | | Release date: | 2009-09-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2WO0
 | | EDTA treated E. coli copper amine oxidase | | Descriptor: | COPPER (II) ION, PRIMARY AMINE OXIDASE, SODIUM ION | | Authors: | Smith, M.A, Pirrat, P, Pearson, A.R, Knowles, P.F, Phillips, S.E.V, McPherson, M.J. | | Deposit date: | 2009-07-21 | | Release date: | 2010-05-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Exploring the Roles of the Metal Ions in Escherichia Coli Copper Amine Oxidase.
Biochemistry, 49, 2010
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6Y83
 | | Capsid structure of Leishmania RNA virus 1 | | Descriptor: | Capsid protein | | Authors: | Prochazkova, M, Fuzik, T, Grybtchuk, D, Falginella, F, Podesvova, L, Yurchenko, V, Vacha, R, Plevka, P. | | Deposit date: | 2020-03-03 | | Release date: | 2020-11-11 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Capsid Structure of Leishmania RNA Virus 1.
J.Virol., 95, 2021
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4XW5
 | | X-ray structure of PKAc with ATP, CP20, calcium ions | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | | Deposit date: | 2015-01-28 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
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8FOU
 | | Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-tube | | Descriptor: | Virion-associated protein | | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | | Deposit date: | 2023-01-03 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
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5J93
 | | Five minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | | Deposit date: | 2016-04-08 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
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6Y9Y
 | | Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13) | | Descriptor: | Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | | Deposit date: | 2020-03-10 | | Release date: | 2020-08-19 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
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8FOY
 | | Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-sheath | | Descriptor: | Tail sheath protein | | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | | Deposit date: | 2023-01-03 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
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5LLU
 | | Structure of the thermostabilized EAAT1 cryst-II mutant in complex with L-ASP | | Descriptor: | ASPARTIC ACID, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, SODIUM ION | | Authors: | Canul-Tec, J, Assal, R, Legrand, P, Reyes, N. | | Deposit date: | 2016-07-28 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Structure and allosteric inhibition of excitatory amino acid transporter 1.
Nature, 544, 2017
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8AYR
 | | Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota | | Descriptor: | CALCIUM ION, Coagulation factor 5/8 type domain protein | | Authors: | Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2022-09-02 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
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6FW7
 | | Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 4-Fluoro-L-Tryptophan | | Descriptor: | 4-FLUOROTRYPTOPHANE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ... | | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | | Deposit date: | 2018-03-05 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A GenoChemetic strategy for derivatization of the violacein natural product scaffold
Biorxiv, 2019
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8QKK
 | | Cryo-EM structure of MmpL3 from Mycobacterium smegmatis reconstituted into peptidiscs | | Descriptor: | Trehalose monomycolate exporter MmpL3 | | Authors: | Couston, J, Guo, Z, Wang, K, Gourdon, P.E, Blaise, M. | | Deposit date: | 2023-09-15 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Cryo-EM structure of the trehalose monomycolate transporter, MmpL3, reconstituted into peptidiscs.
Curr Res Struct Biol, 6, 2023
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6A3N
 | | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 | | Descriptor: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B. | | Deposit date: | 2018-06-15 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
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8FMP
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6YCD
 | | Structure the ananain protease from Ananas comosus covalently bound to the TLCK inhibitor | | Descriptor: | Ananain, GLYCEROL, N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, ... | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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8FMM
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4HMB
 | | Crystal Structure of the complex of group II phospholipase A2 with a 3-{3-[(Dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol at 2.21 A Resolution | | Descriptor: | 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Shukla, P.K, Haridas, M, Chandra, D.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-10-18 | | Release date: | 2012-11-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of the complex of group II phospholipase A2 with a 3-{3-[(Dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol at 2.21 A Resolution
To be Published
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6G7E
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5X2K
 | | Crystal structure of EGFR 696-1022 T790M in complex with WZ4003 | | Descriptor: | Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | Authors: | Zhu, S.J, Zhao, P, Yun, C.H. | | Deposit date: | 2017-02-01 | | Release date: | 2018-02-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.201 Å) | | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
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4V2F
 | | Tetracycline repressor TetR(D), unliganded | | Descriptor: | TETRACYCLINE REPRESSOR PROTEIN CLASS D | | Authors: | Werten, S, Orth, P, Saenger, W, Hinrichs, W. | | Deposit date: | 2014-10-09 | | Release date: | 2014-12-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Biochemistry, 53, 2014
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5IU8
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f at 2.0A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ... | | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | | Deposit date: | 2016-03-17 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
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5W88
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5WCL
 | | NMR structure of the N-domain of troponin C bound to switch region of troponin I and 3-methyldiphenylamine (solvent exposed mode) | | Descriptor: | 3-methyl-N-phenylaniline, Troponin C, slow skeletal and cardiac muscles,Troponin I, ... | | Authors: | Cai, F, Hwang, P.M, Sykes, B.D. | | Deposit date: | 2017-06-30 | | Release date: | 2017-07-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structures reveal details of small molecule binding to cardiac troponin.
J. Mol. Cell. Cardiol., 101, 2016
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5WXE
 | | Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers | | Descriptor: | jasmintide js3 | | Authors: | Kumari, G, Wong, K.H, Serra, A, Shin, J, Yoon, H.S, Sze, S.K, James, P.T. | | Deposit date: | 2017-01-07 | | Release date: | 2018-01-17 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers
To Be Published
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5LVU
 | | XiaF (apo) from Streptomyces sp. | | Descriptor: | SULFATE ION, XiaF protein | | Authors: | Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C. | | Deposit date: | 2016-09-14 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification.
Nat Commun, 8, 2017
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