4RRN
 
 | | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | | Descriptor: | (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | | Deposit date: | 2014-11-06 | | Release date: | 2014-12-03 | | Last modified: | 2014-12-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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3R2H
 | | 1.7 A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 10.5) | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Bacterioferritin, SODIUM ION | | Authors: | Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M. | | Deposit date: | 2011-03-14 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
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3KGD
 | | Crystal structure of E. coli RNA 3' cyclase | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, RNA 3'-terminal phosphate cyclase, ... | | Authors: | Shuman, S, Tanaka, N, Smith, P. | | Deposit date: | 2009-10-28 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure of the RNA 3'-phosphate cyclase-adenylate intermediate illuminates nucleotide specificity and covalent nucleotidyl transfer.
Structure, 18, 2010
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3FPB
 | | The Structure of Sarcoplasmic Reticulum Ca2+-ATPase Bound To Cyclopiazonic acid with ATP | | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Moncoq, K, Morth, J.P, Bublitz, M, Laursen, M, Nissen, P, Young, H.S. | | Deposit date: | 2009-01-05 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Cyclopiazonic acid is complexed to a divalent metal ion when bound to the sarcoplasmic reticulum Ca2+-ATPase.
J.Biol.Chem., 284, 2009
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2XNY
 | | A fragment of streptococcal M1 protein in complex with human fibrinogen | | Descriptor: | FIBRINOGEN ALPHA CHAIN, FIBRINOGEN BETA CHAIN, FIBRINOGEN GAMMA CHAIN, ... | | Authors: | Macheboeuf, P, Y Fu, C, Zinkernagel, A.S, Johnson, J.E, Nizet, V, Ghosh, P. | | Deposit date: | 2010-08-06 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (7.5 Å) | | Cite: | Streptococcal M1 Protein Constructs a Pathological Host Fibrinogen Network
Nature, 472, 2011
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1T4W
 | | Structural Differences in the DNA Binding Domains of Human p53 and its C. elegans Ortholog Cep-1: Structure of C. elegans Cep-1 | | Descriptor: | C.Elegans p53 tumor suppressor-like transcription factor, ZINC ION | | Authors: | Huyen, Y, Jeffrey, P.D, Derry, W.B, Rothman, J.H, Pavletich, N.P, Stavridi, E.S, Halazonetis, T.D. | | Deposit date: | 2004-04-30 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Differences in the DNA Binding Domains of Human p53 and Its C. elegans Ortholog Cep-1.
Structure, 12, 2004
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4O22
 | | Binary complex of metal-free PKAc with SP20. | | Descriptor: | Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha. | | Authors: | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S. | | Deposit date: | 2013-12-16 | | Release date: | 2014-05-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
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1T92
 | | Crystal structure of N-terminal truncated pseudopilin PulG | | Descriptor: | General secretion pathway protein G, ZINC ION | | Authors: | Koehler, R, Schaefer, K, Mueller, S, Vignon, G, Diederichs, K, Philippsen, A, Ringler, P, Pugsley, A.P, Engel, A, Welte, W. | | Deposit date: | 2004-05-14 | | Release date: | 2004-10-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and assembly of the pseudopilin PulG.
Mol.Microbiol., 54, 2004
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1P3L
 | | Crystallographic Studies of Nucleosome Core Particles containing Histone 'Sin' Mutants | | Descriptor: | Histone H2A, Histone H2B, Histone H3, ... | | Authors: | Muthurajan, U.M, Bao, Y, Forsberg, L.J, Edayathumangalam, R.S, Dyer, P.N, White, C.L, Luger, K. | | Deposit date: | 2003-04-17 | | Release date: | 2004-02-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of histone Sin mutant nucleosomes reveal altered protein-DNA interactions
EMBO J., 23, 2004
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5DRQ
 | | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex | | Descriptor: | N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | | Deposit date: | 2015-09-16 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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1P51
 | | Anabaena HU-DNA cocrystal structure (AHU6) | | Descriptor: | 5'-D(*GP*CP*AP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*AP*T)-3', DNA-binding protein HU | | Authors: | Swinger, K.K, Lemberg, K.M, Zhang, Y, Rice, P.A. | | Deposit date: | 2003-04-24 | | Release date: | 2003-05-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Flexible DNA bending in HU-DNA cocrystal structures
Embo J., 22, 2003
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4NNW
 | | yCP in complex with Z-Leu-Leu-Leu-ketoaldehyde | | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
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1DOC
 | | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, ... | | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | | Deposit date: | 1994-09-06 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The mobile flavin of 4-OH benzoate hydroxylase.
Science, 266, 1994
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2XN8
 | | X-RAY STRUCTURE OF THE SUBSTRATE-FREE MYCOBACTERIUM TUBERCULOSIS CYTOCHROME P450 CYP125 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 125, SULFATE ION | | Authors: | Ouellet, H, Kells, P.M, Ortiz de Montellano, P.R, Podust, L.M. | | Deposit date: | 2010-07-30 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Reverse Type I Inhibitor of Mycobacteriumtuberculosis Cyp125A1.
Bioorg.Med.Chem.Lett., 21, 2011
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4ROY
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4BD7
 | | Bax domain swapped dimer induced by octylmaltoside | | Descriptor: | APOPTOSIS REGULATOR BAX, CHLORIDE ION, PRASEODYMIUM ION | | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-02-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
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4B8T
 | | RNA BINDING PROTEIN Solution structure of the third KH domain of KSRP in complex with the G-rich target sequence. | | Descriptor: | 5'-R(*AP*GP*GP*GP*UP)-3', KH-TYPE SPLICING REGULATORY PROTEIN | | Authors: | Nicastro, G, Garcia-Mayoral, M.F, Hollingworth, D, Kelly, G, Martin, S.R, Briata, P, Gherzi, R, Ramos, A. | | Deposit date: | 2012-08-30 | | Release date: | 2012-11-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Noncanonical G Recognition Mediates Ksrp Regulation of Let-7 Biogenesis
Nat.Struct.Mol.Biol., 19, 2012
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3FPZ
 | | Saccharomyces cerevisiae THI4p is a suicide thiamin thiazole synthase | | Descriptor: | ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)-4-METHYL-THIAZOLE-2-CARBOXYLIC ACID, SULFATE ION, Thiazole biosynthetic enzyme | | Authors: | Bale, S, Chatterjee, A, Dorrestein, P.C, Begley, T.P, Ealick, S.E. | | Deposit date: | 2009-01-06 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Saccharomyces cerevisiae THI4p is a suicide thiamine thiazole synthase.
Nature, 478, 2011
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1OZ1
 | | P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR | | Descriptor: | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14 | | Authors: | Lovejoy, B, Villasenor, A, Browner, M, Dunten, P. | | Deposit date: | 2003-04-07 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
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4O1H
 | | Crystal Structure of the regulatory domain of AmeGlnR | | Descriptor: | Transcription regulator GlnR | | Authors: | Lin, W, Wang, C, Zhang, P. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-23 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
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3KRA
 | | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium | | Descriptor: | 1,2-ETHANEDIOL, Geranyl diphosphate synthase large subunit, Geranyl diphosphate synthase small subunit, ... | | Authors: | Chang, T.-H, Ko, T.-P, Hsieh, F.-L, Wang, A.H.-J. | | Deposit date: | 2009-11-18 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
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2VFF
 | | Crystal structure of the F96H mutant of Plasmodium falciparum triosephosphate isomerase | | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | | Authors: | Gayathri, P, Banerjee, M, Vijayalakshmi, A, Balaram, H, Balaram, P, Murthy, M.R.N. | | Deposit date: | 2007-11-04 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and Structural Characterization of Residue 96 Mutants of Plasmodium Falciparum Triosephosphate Isomerase: Active-Site Loop Conformation, Hydration and Identification of a Dimer-Interface Ligand-Binding Site.
Acta Crystallogr.,Sect.D, 65, 2009
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3FLI
 | | Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR) | | Descriptor: | 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor | | Authors: | Foster, P.G, Stout, T.J. | | Deposit date: | 2008-12-18 | | Release date: | 2009-12-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR).
J.Med.Chem., 52, 2009
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1SYY
 | | Crystal structure of the R2 subunit of ribonucleotide reductase from Chlamydia trachomatis | | Descriptor: | FE (III) ION, LEAD (II) ION, Ribonucleoside-diphosphate reductase beta chain | | Authors: | Hogbom, M, Stenmark, P, Voevodskaya, N, McClarty, G, Graslund, A, Nordlund, P. | | Deposit date: | 2004-04-02 | | Release date: | 2004-07-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The radical site in chlamydial ribonucleotide reductase defines a new R2 subclass.
Science, 305, 2004
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4C0Y
 | | Cryo-EM reconstruction of empty enterovirus 71 in complex with a neutralizing antibody E18 | | Descriptor: | FAB EV18 4 D6-1 F1 G9, VP1, VP2, ... | | Authors: | Plevka, P, Perera, R, Cardosa, J, Suksatu, A, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2013-08-08 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (16 Å) | | Cite: | Neutralizing Antibodies Can Initiate Genome Release from Human Enterovirus 71.
Proc.Natl.Acad.Sci.USA, 111, 2014
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