6G22
 
 | | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PEU | | Descriptor: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | | Authors: | Pachl, P, Rezacova, P, Brynda, J. | | Deposit date: | 2018-03-22 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases
Eur.J.Org.Chem., 2018
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3DUY
 | | Crystal structure of human beta-secretase in complex with NVP-AFJ144 | | Descriptor: | (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide, Beta-secretase 1 | | Authors: | Rondeau, J.-M. | | Deposit date: | 2008-07-18 | | Release date: | 2009-02-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3SZJ
 | | Structure of the shwanavidin-biotin complex | | Descriptor: | ACETIC ACID, Avidin/streptavidin, BIOTIN, ... | | Authors: | Livnah, O, Meir, A. | | Deposit date: | 2011-07-19 | | Release date: | 2012-04-11 | | Last modified: | 2012-06-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural Adaptation of a Thermostable Biotin-binding Protein in a Psychrophilic Environment.
J.Biol.Chem., 287, 2012
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3DV1
 | | Crystal structure of human beta-secretase in complex with NVP-ARV999 | | Descriptor: | (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1 | | Authors: | Rondeau, J.-M. | | Deposit date: | 2008-07-18 | | Release date: | 2009-02-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.
Bioorg.Med.Chem.Lett., 19, 2009
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4DS8
 | | Complex structure of abscisic acid receptor PYL3-(+)-ABA-HAB1 in the presence of Mn2+ | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, GLYCEROL, ... | | Authors: | Zhang, X, Zhang, Q, Wang, G, Chen, Z. | | Deposit date: | 2012-02-18 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
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3KO3
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3QBG
 | | Anion-free blue form of pharaonis halorhodopsin | | Descriptor: | BACTERIORUBERIN, Halorhodopsin, RETINAL, ... | | Authors: | Kouyama, T, Kanada, S. | | Deposit date: | 2011-01-13 | | Release date: | 2011-08-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of an O-like blue form and an anion-free yellow form of pharaonis halorhodopsin
J.Mol.Biol., 413, 2011
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3KOD
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3QN6
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3KO7
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3KPX
 | | Crystal Structure Analysis of photoprotein clytin | | Descriptor: | Apophotoprotein clytin-3, C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION | | Authors: | Titushin, M.S, Li, Y, Stepanyuk, G.A, Wang, B.-C, Lee, J, Vysotski, E.S, Liu, Z.-J. | | Deposit date: | 2009-11-17 | | Release date: | 2010-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | NMR derived topology of a GFP-photoprotein energy transfer complex
J.Biol.Chem., 285, 2010
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3DXL
 | | Crystal structure of AeD7 from Aedes Aegypti | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Allergen Aed a 2, CHLORIDE ION, ... | | Authors: | Andersen, J.F, Calvo, E, Mans, B.J, Ribeiro, J.M. | | Deposit date: | 2008-07-24 | | Release date: | 2009-02-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Proc.Natl.Acad.Sci.USA, 106, 2009
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3DY9
 | | Crystal structure of AeD7 potassium bromide soak | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, D7 protein, ... | | Authors: | Andersen, J.F, Calvo, E, Mans, B.J, Ribeiro, J.M. | | Deposit date: | 2008-07-25 | | Release date: | 2009-02-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Proc.Natl.Acad.Sci.USA, 106, 2009
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3QE7
 | | Crystal Structure of Uracil Transporter--UraA | | Descriptor: | URACIL, Uracil permease, nonyl beta-D-glucopyranoside | | Authors: | Lu, F.R, Li, S, Yan, N. | | Deposit date: | 2011-01-20 | | Release date: | 2011-03-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Structure and mechanism of the uracil transporter UraA
Nature, 472, 2011
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6CO8
 | | Structure of Zika virus at a resolution of 3.1 Angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein | | Authors: | Sevvana, M, Long, F, Miller, A.J, Klose, T, Buda, G, Sun, L, Kuhn, R.J, Rossmann, M.R. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-04 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Refinement and Analysis of the Mature Zika Virus Cryo-EM Structure at 3.1 angstrom Resolution.
Structure, 26, 2018
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6CID
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
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6CIK
 | | Pre-Reaction Complex, RAG1(E962Q)/2-intact/nicked 12/23RSS complex in Mn2+ | | Descriptor: | DNA (5'-D(*AP*TP*CP*TP*GP*GP*CP*CP*TP*GP*TP*CP*TP*TP*A)-3'), High mobility group protein B1, Intact 12RSS substrate forward strand, ... | | Authors: | Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W. | | Deposit date: | 2018-02-24 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
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3KSL
 | | Structure of FPT bound to DATFP-DH-GPP | | Descriptor: | (2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate, Farnesyltransferase, CAAX box, ... | | Authors: | Hovlid, M.L, Edelstein, R.L, Henry, O, Ochocki, J, DeGraw, A, Lenevich, S, Talbot, T, Young, V, Hruza, A.W, Lopez-Gallego, F, Labello, N.P, Strickland, C.L, Schmidt-Dannert, C, Distefano, M.D. | | Deposit date: | 2009-11-23 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthesis, properties, and applications of diazotrifluropropanoyl-containing photoactive analogs of farnesyl diphosphate containing modified linkages for enhanced stability.
Chem.Biol.Drug Des., 75, 2010
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6CQI
 | | 2.42A Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with an oligonucleotide MTS2-11 | | Descriptor: | ACETATE ION, DNA (5'-D(P*TP*TP*CP*CP*GP*CP*TP*TP*GP*A)-3'), DNA topoisomerase 1, ... | | Authors: | Cao, N, Thirunavukkarasu, A, Tan, K, Tse-Dinh, Y.-C. | | Deposit date: | 2018-03-15 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
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3GJ5
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6CP7
 | | Monomer yeast ATP synthase Fo reconstituted in nanodisc generated from masked refinement. | | Descriptor: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | | Authors: | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | | Deposit date: | 2018-03-13 | | Release date: | 2018-04-11 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane.
Science, 360, 2018
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6GEO
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6CQ2
 | | Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with oligonucleotide MTS2-12 and Magnesium | | Descriptor: | DNA (5'-D(P*TP*TP*CP*CP*GP*CP*TP*TP*GP*A)-3'), DNA topoisomerase 1, MAGNESIUM ION, ... | | Authors: | Cao, N, Thirunavukkaraus, A, Tan, K, Tse-Dinh, Y.-C. | | Deposit date: | 2018-03-14 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
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3GJ4
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6CQX
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX(+) | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | Deposit date: | 2018-03-16 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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