7OB5
 
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5B34
 | | Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with Iodine-labeled Detergent HAD13a Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA | | Descriptor: | 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid, Bacteriorhodopsin, DECANE, ... | | Authors: | Mizohata, E, Nakane, T. | | Deposit date: | 2016-02-10 | | Release date: | 2016-11-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent
Proc.Natl.Acad.Sci.USA, 113, 2016
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7OBC
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2ZN9
 | | Crystal structure of Ca2+-bound form of des3-20ALG-2 | | Descriptor: | CALCIUM ION, DODECAETHYLENE GLYCOL, NONAETHYLENE GLYCOL, ... | | Authors: | Suzuki, H, Kawasaki, M, Inuzuka, T, Kakiuchi, T, Shibata, H, Wakatsuki, S, Maki, M. | | Deposit date: | 2008-04-22 | | Release date: | 2008-09-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for Ca(2+)-Dependent Formation of ALG-2/Alix Peptide Complex: Ca(2+)/EF3-Driven Arginine Switch Mechanism
Structure, 16, 2008
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4HYK
 | | Dbh Ternary Complex (substrates partially disordered) | | Descriptor: | DNA (5'-D(*GP*GP*GP*AP*AP*GP*CP*CP*GP*G)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*CP*CP*CP*CP*GP*GP*CP*TP*TP*CP*CP*C)-3'), DNA polymerase IV | | Authors: | Pata, J.D, Wilson, R.C. | | Deposit date: | 2012-11-13 | | Release date: | 2013-01-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Structure, 21, 2013
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3EQ3
 | | Model of tRNA(Trp)-EF-Tu in the ribosomal pre-accommodated state revealed by cryo-EM | | Descriptor: | 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ... | | Authors: | Frank, J, Li, W, Agirrezabala, X. | | Deposit date: | 2008-09-30 | | Release date: | 2008-12-16 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM.
Embo J., 27, 2008
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7QWK
 | | GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 2 | | Descriptor: | (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide, DIMETHYL SULFOXIDE, eIF-2-alpha kinase GCN2 | | Authors: | Maia de Oliveira, T. | | Deposit date: | 2022-01-25 | | Release date: | 2022-05-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif.
Biochem.J., 477, 2020
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3EUG
 | | CRYSTAL STRUCTURE OF ESCHERICHIA COLI URACIL DNA GLYCOSYLASE AND ITS COMPLEXES WITH URACIL AND GLYCEROL: STRUCTURE AND GLYCOSYLASE MECHANISM REVISITED | | Descriptor: | GLYCEROL, PROTEIN (GLYCOSYLASE) | | Authors: | Xiao, G, Tordova, M, Jagadeesh, J, Drohat, A.C, Stivers, J.T, Gilliland, G.L. | | Deposit date: | 1998-10-13 | | Release date: | 1999-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited.
Proteins, 35, 1999
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3IP0
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3ILO
 | | Crystal structure of E. coli HPPK(D97A) in complex with MgAMPCPP and 6-hydroxymethyl-7,8-dihydropterin | | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ... | | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2009-08-07 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK
To be Published
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5BUE
 | | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | | Descriptor: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | Deposit date: | 2015-06-03 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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3FKU
 | | Crystal structure of influenza hemagglutinin (H5) in complex with a broadly neutralizing antibody F10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Neutralizing antibody F10, ... | | Authors: | Hwang, W.C, Santelli, E, Stec, B, Wei, G, Cadwell, G, Bankston, L.A, Sui, J, Perez, S, Aird, D, Chen, L.M, Ali, M, Murakami, A, Yammanuru, A, Han, T, Cox, N, Donis, R.O, Liddington, R.C, Marasco, W.A. | | Deposit date: | 2008-12-17 | | Release date: | 2009-02-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and functional bases for broad-spectrum neutralization of avian and human influenza A viruses.
Nat.Struct.Mol.Biol., 16, 2009
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2ZE1
 | | X-ray structure of Bace-1 in complex with compound 6g | | Descriptor: | 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide, Beta-secretase 1 | | Authors: | Chopra, R, Olland, A. | | Deposit date: | 2007-12-05 | | Release date: | 2008-12-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
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1FMF
 | | REFINED SOLUTION STRUCTURE OF THE (13C,15N-LABELED) B12-BINDING SUBUNIT OF GLUTAMATE MUTASE FROM CLOSTRIDIUM TETANOMORPHUM | | Descriptor: | METHYLASPARTATE MUTASE S CHAIN | | Authors: | Hoffmann, B, Konrat, R, Tollinger, M, Huhta, M, Marsh, E.N.G, Kraeutler, B. | | Deposit date: | 2000-08-17 | | Release date: | 2002-02-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A protein pre-organized to trap the nucleotide moiety of coenzyme B(12): refined solution structure of the B(12)-binding subunit of glutamate mutase from Clostridium tetanomorphum.
Chembiochem, 2, 2001
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5BUJ
 | | ERK2 complexed with a N-H tetrahydroazaindazole | | Descriptor: | 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | Deposit date: | 2015-06-03 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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3A27
 | | Crystal structure of M. jannaschii TYW2 in complex with AdoMet | | Descriptor: | S-ADENOSYLMETHIONINE, Uncharacterized protein MJ1557 | | Authors: | Umitsu, M, Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2009-04-28 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Structural basis of AdoMet-dependent aminocarboxypropyl transfer reaction catalyzed by tRNA-wybutosine synthesizing enzyme, TYW2
Proc.Natl.Acad.Sci.USA, 106, 2009
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5JI4
 | | Solution structure of the de novo mini protein gEEHE_02 | | Descriptor: | W37 | | Authors: | Buchko, G.W, Bahl, C.D, Pulavarti, S.V, Baker, D, Szyperski, T. | | Deposit date: | 2016-04-21 | | Release date: | 2016-09-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
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5BCA
 | | BETA-AMYLASE FROM BACILLUS CEREUS VAR. MYCOIDES | | Descriptor: | CALCIUM ION, PROTEIN (1,4-ALPHA-D-GLUCAN MALTOHYDROLASE.) | | Authors: | Oyama, T, Kusunoki, M, Kishimoto, Y, Takasaki, Y, Nitta, Y. | | Deposit date: | 1999-03-12 | | Release date: | 2000-03-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of beta-amylase from Bacillus cereus var. mycoides at 2.2 A resolution.
J.Biochem.(Tokyo), 125, 1999
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3W98
 | | Crystal Structure of Human Nucleosome Core Particle lacking H3.1 N-terminal region | | Descriptor: | 146-mer DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Iwasaki, W, Miya, Y, Horikoshi, N, Osakabe, A, Tachiwana, H, Shibata, T, Kagawa, W, Kurumizaka, H. | | Deposit date: | 2013-04-01 | | Release date: | 2013-08-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Contribution of histone N-terminal tails to the structure and stability of nucleosomes
FEBS Open Bio, 3, 2013
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3A26
 | | Crystal structure of P. horikoshii TYW2 in complex with MeSAdo | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, TETRAETHYLENE GLYCOL, Uncharacterized protein PH0793 | | Authors: | Umitsu, M, Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2009-04-28 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of AdoMet-dependent aminocarboxypropyl transfer reaction catalyzed by tRNA-wybutosine synthesizing enzyme, TYW2
Proc.Natl.Acad.Sci.USA, 106, 2009
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3IJZ
 | | Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | | Deposit date: | 2009-08-05 | | Release date: | 2010-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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3F2B
 | | DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mg and Zn | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ... | | Authors: | Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C. | | Deposit date: | 2008-10-29 | | Release date: | 2009-01-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of PolC reveals unique DNA binding and fidelity determinants.
Proc.Natl.Acad.Sci.USA, 105, 2008
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5K55
 | | Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2016-05-23 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Structural studies of human muscle FBPase
To Be Published
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1BWB
 | | HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH SD146 OF DUPONT PHARMACEUTICALS | | Descriptor: | PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE] | | Authors: | Ala, P, Chang, C.H. | | Deposit date: | 1998-09-22 | | Release date: | 1998-09-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
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3F7P
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