5Y0V
 
 | | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with berberine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BERBERINE, ... | | Authors: | Duan, Y.W, Liu, T, Tang, J.Y, Li, M, Yang, Q. | | Deposit date: | 2017-07-18 | | Release date: | 2018-01-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.423 Å) | | Cite: | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine.
J. Biol. Chem., 293, 2018
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4TVH
 | | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | | Descriptor: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | | Authors: | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | | Deposit date: | 2014-06-26 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
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5Y17
 | | CATPO mutant - E316F | | Descriptor: | CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase | | Authors: | Karakus Yuzugullu, Y, Goc, G, Balci, S, Pearson, A.R, Yorke, B. | | Deposit date: | 2017-07-19 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of the site of oxidase substrate binding in Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 74, 2018
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4TVV
 | | Crystal structure of LppA from Legionella pneumophila | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Weber, S, Stirnimann, C, Wieser, M, Meier, R, Engelhardt, S, Li, X, Capitani, G, Kammerer, R, Hilbi, H. | | Deposit date: | 2014-06-28 | | Release date: | 2014-11-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Type IV Translocated Legionella Cysteine Phytase Counteracts Intracellular Growth Restriction by Phytate.
J.Biol.Chem., 289, 2014
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5Y9D
 | | Crystal structure of acyl-coA oxidase1 from Yarrowia lipolytica | | Descriptor: | Acyl-coenzyme A oxidase 1, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Kim, S, Kim, K.-J. | | Deposit date: | 2017-08-24 | | Release date: | 2018-01-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insight into the substrate specificity of acyl-CoA oxidase1 from Yarrowia lipolytica for short-chain dicarboxylyl-CoAs.
Biochem. Biophys. Res. Commun., 495, 2018
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4U32
 | | Human mesotrypsin complexed with HAI-2 Kunitz domain 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Kunitz-type protease inhibitor 2, ... | | Authors: | Wang, R, Soares, A.S, Radisky, E.S. | | Deposit date: | 2014-07-18 | | Release date: | 2014-10-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Sequence and Conformational Specificity in Substrate Recognition: SEVERAL HUMAN KUNITZ PROTEASE INHIBITOR DOMAINS ARE SPECIFIC SUBSTRATES OF MESOTRYPSIN.
J.Biol.Chem., 289, 2014
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5Y9V
 | | Crystal structure of diamondback moth ryanodine receptor N-terminal domain | | Descriptor: | CHLORIDE ION, GLYCEROL, Ryanodine receptor 1 | | Authors: | Lin, L, Yuchi, Z. | | Deposit date: | 2017-08-28 | | Release date: | 2017-12-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.841 Å) | | Cite: | Crystal structure of ryanodine receptor N-terminal domain from Plutella xylostella reveals two potential species-specific insecticide-targeting sites.
Insect Biochem. Mol. Biol., 92, 2017
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5YA2
 | | Crystal structure of LsrK-HPr complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Autoinducer-2 kinase, HEXANE-1,6-DIOL, ... | | Authors: | Ryu, K.S, Ha, J.H. | | Deposit date: | 2017-08-30 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Evidence of link between quorum sensing and sugar metabolism inEscherichia colirevealed via cocrystal structures of LsrK and HPr
Sci Adv, 4, 2018
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4U38
 | | RNA duplex containing UU mispair | | Descriptor: | RNA (5'-R(*GP*GP*UP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3') | | Authors: | Sheng, J, Larsen, A, Heuberger, B, Blain, J.C, Szostak, J.W. | | Deposit date: | 2014-07-18 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure Studies of RNA Duplexes Containing s(2)U:A and s(2)U:U Base Pairs.
J.Am.Chem.Soc., 136, 2014
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5Y39
 | | Crystal structure of Ragulator complex (p18 76-145) | | Descriptor: | Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ... | | Authors: | Zhang, T, Ding, J. | | Deposit date: | 2017-07-28 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for Ragulator functioning as a scaffold in membrane-anchoring of Rag GTPases and mTORC1
Nat Commun, 8, 2017
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4TWE
 | | Structure of ligand-free N-acetylated-alpha-linked-acidic-dipeptidase like protein (NAALADaseL) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Tykvart, J, Barinka, C, Lubkowski, J, Sacha, P, Konvalinka, J. | | Deposit date: | 2014-06-30 | | Release date: | 2015-03-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and biochemical characterization of a novel aminopeptidase from human intestine.
J.Biol.Chem., 290, 2015
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5Y3O
 | | Structure of TRAP1 complexed with DN320 | | Descriptor: | 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | | Authors: | Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C. | | Deposit date: | 2017-07-29 | | Release date: | 2017-08-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
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4TX2
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4V9P
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5Y41
 | | Crystal Structure of LIGAND-BOUND NURR1-LBD | | Descriptor: | (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sreekanth, R, Lescar, J, Yoon, H.S. | | Deposit date: | 2017-07-31 | | Release date: | 2018-12-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | PGE1 and PGA1 bind to Nurr1 and activate its transcriptional function.
Nat.Chem.Biol., 2020
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4TX8
 | | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRATE ANION, ... | | Authors: | Pereira, H.M, Lobo, M.D.P, Brandao-Neto, J, Grangeiro, T.B. | | Deposit date: | 2014-07-02 | | Release date: | 2015-10-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum
To Be Published
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5YB3
 | | Crystal structure of HP23L/N36 | | Descriptor: | Envelope glycoprotein, HP23L | | Authors: | Zhang, X, Wang, X, He, Y. | | Deposit date: | 2017-09-03 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.043 Å) | | Cite: | Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
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4U3A
 | | Crystal structure of CtCel5E | | Descriptor: | Endoglucanase H | | Authors: | Yuan, S.F, Liang, P.H, Ho, M.C. | | Deposit date: | 2014-07-19 | | Release date: | 2015-01-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum
J.Biol.Chem., 290, 2015
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5YB9
 | | Crystal structure of a dimeric cyclophilin A from T.vaginalis | | Descriptor: | Peptidyl-prolyl cis-trans isomerase | | Authors: | Cho, C.C, Lin, M.H, Chou, C.C, Martin, T, Chen, C, Hsu, C.H. | | Deposit date: | 2017-09-04 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.276 Å) | | Cite: | Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis
Sci Rep, 8, 2018
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4U3F
 | | Cytochrome bc1 complex from chicken with designed inhibitor bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CARDIOLIPIN, ... | | Authors: | Huang, L.-S, Zhu, X.-L, Yang, G.F, Berry, E.A. | | Deposit date: | 2014-07-21 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2312 Å) | | Cite: | Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization
Sci Rep, 5, 2015
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5YBF
 | | Crystal structure of the GluA2o LBD in complex with glutamate and HBT1 | | Descriptor: | 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | Deposit date: | 2017-09-04 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018
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4TXJ
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with thymidine | | Descriptor: | SULFATE ION, THYMIDINE, Uridine phosphorylase | | Authors: | Torini, J, Marinho, A, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2014-07-03 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.662 Å) | | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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4W2F
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with amicoumacin, mRNA and three deacylated tRNAs in the A, P and E sites | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V. | | Deposit date: | 2014-09-12 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
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5YE1
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4TXZ
 | | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with nonhydrolyzable GTP | | Descriptor: | Cyclic AMP-GMP synthase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | | Deposit date: | 2014-07-07 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
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