4R93
 
 | | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium | | Descriptor: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Orth, P, Strickland, C, Caldwell, J.P. | | Deposit date: | 2014-09-03 | | Release date: | 2014-11-05 | | Last modified: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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3WAQ
 | | Hemerythrin-like domain of DcrH I119E mutant (met) | | Descriptor: | Hemerythrin-like domain protein DcrH, MU-OXO-DIIRON | | Authors: | Okamoto, Y, Onoda, A, Sugimoto, H, Takano, Y, Hirota, S, Kurtz Jr, D.M, Shiro, Y, Hayashi, T. | | Deposit date: | 2013-05-07 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure, exogenous ligand binding, and redox properties of an engineered diiron active site in a bacterial hemerythrin
Inorg.Chem., 52, 2013
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3WC1
 | | Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with a G-1 deleted tRNA(His) | | Descriptor: | 75-mer tRNA, Likely histidyl tRNA-specific guanylyltransferase | | Authors: | Nakamura, A, Nemoto, T, Sonoda, T, Yamashita, K, Tanaka, I, Yao, M. | | Deposit date: | 2013-05-24 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (4.18 Å) | | Cite: | Structural basis of reverse nucleotide polymerization
Proc.Natl.Acad.Sci.USA, 110, 2013
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3WBZ
 | | Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Likely histidyl tRNA-specific guanylyltransferase, MAGNESIUM ION | | Authors: | Nakamura, A, Nemoto, T, Sonoda, T, Yamashita, K, Tanaka, I, Yao, M. | | Deposit date: | 2013-05-24 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.392 Å) | | Cite: | Structural basis of reverse nucleotide polymerization
Proc.Natl.Acad.Sci.USA, 110, 2013
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3CJC
 | | Actin dimer cross-linked by V. cholerae MARTX toxin and complexed with DNase I and Gelsolin-segment 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Sawaya, M.R, Kudryashov, D.S, Pashkov, I, Reisler, E, Yeates, T.O. | | Deposit date: | 2008-03-12 | | Release date: | 2008-03-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Connecting actin monomers by iso-peptide bond is a toxicity mechanism of the Vibrio cholerae MARTX toxin.
Proc.Natl.Acad.Sci.USA, 105, 2008
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4RC1
 | | Structure of the methanofuran/methanopterin biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii with PRPP | | Descriptor: | PHOSPHATE ION, UPF0264 protein MJ1099 | | Authors: | Bobik, T.A, Morales, E.J, Cascio, D, Sawaya, M.R, Yeates, T.O, Rasche, M.E. | | Deposit date: | 2014-09-14 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the methanofuran/methanopterin-biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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3CK8
 | | B. thetaiotaomicron SusD with beta-cyclodextrin | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ... | | Authors: | Koropatkin, N.M, Martens, E.C, Gordon, J.I, Smith, T.J. | | Deposit date: | 2008-03-14 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Starch catabolism by a prominent human gut symbiont is directed by the recognition of amylose helices.
Structure, 16, 2008
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3CKR
 | | Crystal structure of BACE-1 in complex with inhibitor | | Descriptor: | (4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide, Beta-secretase 1 | | Authors: | Min, K. | | Deposit date: | 2008-03-16 | | Release date: | 2008-06-03 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives
Bioorg.Med.Chem.Lett., 18, 2008
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4RCI
 | | Crystal structure of YTHDF1 YTH domain | | Descriptor: | UNKNOWN ATOM OR ION, YTH domain-containing family protein 1 | | Authors: | Xu, C, Tempel, W, Liu, K, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-09-16 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Basis for the Discriminative Recognition of N6-Methyladenosine RNA by the Human YT521-B Homology Domain Family of Proteins.
J.Biol.Chem., 290, 2015
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3WEL
 | | Sugar beet alpha-glucosidase with acarviosyl-maltotriose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, GLYCEROL, ... | | Authors: | Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A. | | Deposit date: | 2013-07-08 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate
J.Biol.Chem., 290, 2014
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3CZ5
 | | Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1 | | Descriptor: | PHOSPHATE ION, Two-component response regulator, LuxR family | | Authors: | Malashkevich, V.N, Toro, R, Wasserman, S.R, Meyer, A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-04-28 | | Release date: | 2008-05-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1.
To be Published
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4REE
 | | Crystal Structure of TR3 LBD in complex with Molecule 6 | | Descriptor: | 1-(2,3,4-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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4RFC
 | | Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | | Descriptor: | Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | | Authors: | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | | Deposit date: | 2014-09-25 | | Release date: | 2015-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.645 Å) | | Cite: | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
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4REP
 | | Crystal Structure of gamma-carotenoid desaturase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Gamma-carotene desaturase | | Authors: | Ahn, J.-W, Kim, E.-J, Kim, S, Kim, K.-J. | | Deposit date: | 2014-09-23 | | Release date: | 2015-07-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of 1'-OH-carotenoid 3,4-desaturase from Nonlabens dokdonensis DSW-6.
Enzyme.Microb.Technol., 77, 2015
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3D1Q
 | | Structure of the PTP-Like Phytase Expressed by Selenomonas Ruminantium at an Ionic Strength of 400 mM | | Descriptor: | CHLORIDE ION, GLYCEROL, Myo-inositol hexaphosphate phosphohydrolase | | Authors: | Gruninger, R.J, Selinger, L.B, Mosimann, S.C. | | Deposit date: | 2008-05-06 | | Release date: | 2008-06-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Effect of ionic strength and oxidation on the P-loop conformation of the protein tyrosine phosphatase-like phytase, PhyAsr.
Febs J., 275, 2008
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3WG3
 | | Crystal structure of Agrocybe cylindracea galectin with blood type A antigen tetraose | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, ... | | Authors: | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | | Deposit date: | 2013-07-25 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
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3D2C
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4RFD
 | | Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium | | Descriptor: | 4-(4-sulfamoyl-phenoxy)-butylammonium, BICARBONATE ION, Carbonic anhydrase 2, ... | | Authors: | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | | Deposit date: | 2014-09-25 | | Release date: | 2015-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
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3D4K
 | | Concanavalin A Complexed to a Synthetic Analog of the Trimannoside | | Descriptor: | CALCIUM ION, Concanavalin-A, GLYCEROL, ... | | Authors: | Kadirvelraj, R, Foley, B.L, Dyekjaer, J.D, Woods, R.J. | | Deposit date: | 2008-05-14 | | Release date: | 2009-03-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Involvement of water in carbohydrate-protein binding: concanavalin A revisited.
J.Am.Chem.Soc., 130, 2008
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4QVD
 | | E.coli Hfq in complex with RNA Ads | | Descriptor: | RNA (5'-R(*AP*AP*CP*UP*AP*AP*A)-3'), RNA-binding protein Hfq | | Authors: | Wang, L.J, Wang, W.W, Li, F.D, Wu, J.H, Gong, Q.G, Shi, Y.Y. | | Deposit date: | 2014-07-14 | | Release date: | 2015-05-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Structural insights into the recognition of the internal A-rich linker from OxyS sRNA by Escherichia coli Hfq
Nucleic Acids Res., 43, 2015
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3D4W
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS A109R at cryogenic temperature | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Thermonuclease | | Authors: | Harms, M.J, Schlessman, J.L, Garcia-Moreno, E.B. | | Deposit date: | 2008-05-15 | | Release date: | 2009-01-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Arginine residues at internal positions in a protein are always charged.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3D50
 | | GOLGI MANNOSIDASE II complex with N-octyl-6-epi-valienamine | | Descriptor: | (1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Tarling, C.A, Withers, S.G, Rose, D.R. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen.
Biochemistry, 47, 2008
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4R74
 | | Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (exogenous fructose-6-phosphate bound) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-O-phosphono-beta-D-fructofuranose, ABC-type Fe3+ transport system, ... | | Authors: | Sit, B, Calmettes, C, Moraes, T.F. | | Deposit date: | 2014-08-26 | | Release date: | 2015-08-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
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4QXW
 | | Crystal structure of the human CEACAM1 membrane distal amino terminal (N)-domain | | Descriptor: | Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID, octyl beta-D-glucopyranoside | | Authors: | Huang, Y.H, Gandhi, A.K, Russell, A, Kondo, Y, Chen, Q, Petsko, G.A, Blumberg, R.S. | | Deposit date: | 2014-07-22 | | Release date: | 2014-11-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | CEACAM1 regulates TIM-3-mediated tolerance and exhaustion.
Nature, 517, 2015
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4R7G
 | | Determination of the formylglycinamide ribonucleotide amidotransferase ammonia pathway by combining 3D-RISM theory with experiment | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ... | | Authors: | Tanwar, A.S, Sindhikara, D.J, Hirata, F, Anand, R. | | Deposit date: | 2014-08-27 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Determination of the formylglycinamide ribonucleotide amidotransferase ammonia pathway by combining 3D-RISM theory with experiment.
Acs Chem.Biol., 10, 2015
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