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4R93
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BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium
分子名称: 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
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
3WAQ
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Hemerythrin-like domain of DcrH I119E mutant (met)
分子名称: Hemerythrin-like domain protein DcrH, MU-OXO-DIIRON
著者Okamoto, Y, Onoda, A, Sugimoto, H, Takano, Y, Hirota, S, Kurtz Jr, D.M, Shiro, Y, Hayashi, T.
登録日2013-05-07
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure, exogenous ligand binding, and redox properties of an engineered diiron active site in a bacterial hemerythrin
Inorg.Chem., 52, 2013
3WC1
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Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with a G-1 deleted tRNA(His)
分子名称: 75-mer tRNA, Likely histidyl tRNA-specific guanylyltransferase
著者Nakamura, A, Nemoto, T, Sonoda, T, Yamashita, K, Tanaka, I, Yao, M.
登録日2013-05-24
公開日2013-12-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4.18 Å)
主引用文献Structural basis of reverse nucleotide polymerization
Proc.Natl.Acad.Sci.USA, 110, 2013
3WBZ
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Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Likely histidyl tRNA-specific guanylyltransferase, MAGNESIUM ION
著者Nakamura, A, Nemoto, T, Sonoda, T, Yamashita, K, Tanaka, I, Yao, M.
登録日2013-05-24
公開日2013-12-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Structural basis of reverse nucleotide polymerization
Proc.Natl.Acad.Sci.USA, 110, 2013
3CJC
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Actin dimer cross-linked by V. cholerae MARTX toxin and complexed with DNase I and Gelsolin-segment 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Sawaya, M.R, Kudryashov, D.S, Pashkov, I, Reisler, E, Yeates, T.O.
登録日2008-03-12
公開日2008-03-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Connecting actin monomers by iso-peptide bond is a toxicity mechanism of the Vibrio cholerae MARTX toxin.
Proc.Natl.Acad.Sci.USA, 105, 2008
4RC1
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Structure of the methanofuran/methanopterin biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii with PRPP
分子名称: PHOSPHATE ION, UPF0264 protein MJ1099
著者Bobik, T.A, Morales, E.J, Cascio, D, Sawaya, M.R, Yeates, T.O, Rasche, M.E.
登録日2014-09-14
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the methanofuran/methanopterin-biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii.
Acta Crystallogr F Struct Biol Commun, 70, 2014
3CK8
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B. thetaiotaomicron SusD with beta-cyclodextrin
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
著者Koropatkin, N.M, Martens, E.C, Gordon, J.I, Smith, T.J.
登録日2008-03-14
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Starch catabolism by a prominent human gut symbiont is directed by the recognition of amylose helices.
Structure, 16, 2008
3CKR
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Crystal structure of BACE-1 in complex with inhibitor
分子名称: (4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide, Beta-secretase 1
著者Min, K.
登録日2008-03-16
公開日2008-06-03
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives
Bioorg.Med.Chem.Lett., 18, 2008
4RCI
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Crystal structure of YTHDF1 YTH domain
分子名称: UNKNOWN ATOM OR ION, YTH domain-containing family protein 1
著者Xu, C, Tempel, W, Liu, K, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-09-16
公開日2014-10-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献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
3WEL
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Sugar beet alpha-glucosidase with acarviosyl-maltotriose
分子名称: 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, ...
著者Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A.
登録日2013-07-08
公開日2014-07-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate
J.Biol.Chem., 290, 2014
3CZ5
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Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1
分子名称: PHOSPHATE ION, Two-component response regulator, LuxR family
著者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)
登録日2008-04-28
公開日2008-05-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1.
To be Published
4REE
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BU of 4ree by Molmil
Crystal Structure of TR3 LBD in complex with Molecule 6
分子名称: 1-(2,3,4-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者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.
登録日2014-09-22
公開日2015-09-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
4RFC
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Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
分子名称: Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
著者Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T.
登録日2014-09-25
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.645 Å)
主引用文献A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
4REP
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BU of 4rep by Molmil
Crystal Structure of gamma-carotenoid desaturase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Gamma-carotene desaturase
著者Ahn, J.-W, Kim, E.-J, Kim, S, Kim, K.-J.
登録日2014-09-23
公開日2015-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of 1'-OH-carotenoid 3,4-desaturase from Nonlabens dokdonensis DSW-6.
Enzyme.Microb.Technol., 77, 2015
3D1Q
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Structure of the PTP-Like Phytase Expressed by Selenomonas Ruminantium at an Ionic Strength of 400 mM
分子名称: CHLORIDE ION, GLYCEROL, Myo-inositol hexaphosphate phosphohydrolase
著者Gruninger, R.J, Selinger, L.B, Mosimann, S.C.
登録日2008-05-06
公開日2008-06-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Effect of ionic strength and oxidation on the P-loop conformation of the protein tyrosine phosphatase-like phytase, PhyAsr.
Febs J., 275, 2008
3WG3
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BU of 3wg3 by Molmil
Crystal structure of Agrocybe cylindracea galectin with blood type A antigen tetraose
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, ...
著者Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R.
登録日2013-07-25
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
3D2C
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Structure of 4D3, a thermostable mutant of Bacillus subtilis lipase obtained through directed evolution
分子名称: Lipase
著者Sankaranarayanan, R, Kamal, M.Z.
登録日2008-05-08
公開日2008-06-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Thermostable Bacillus subtilis lipases: in vitro evolution and structural insight
J.Mol.Biol., 381, 2008
4RFD
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Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium
分子名称: 4-(4-sulfamoyl-phenoxy)-butylammonium, BICARBONATE ION, Carbonic anhydrase 2, ...
著者Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T.
登録日2014-09-25
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
3D4K
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Concanavalin A Complexed to a Synthetic Analog of the Trimannoside
分子名称: CALCIUM ION, Concanavalin-A, GLYCEROL, ...
著者Kadirvelraj, R, Foley, B.L, Dyekjaer, J.D, Woods, R.J.
登録日2008-05-14
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Involvement of water in carbohydrate-protein binding: concanavalin A revisited.
J.Am.Chem.Soc., 130, 2008
4QVD
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E.coli Hfq in complex with RNA Ads
分子名称: RNA (5'-R(*AP*AP*CP*UP*AP*AP*A)-3'), RNA-binding protein Hfq
著者Wang, L.J, Wang, W.W, Li, F.D, Wu, J.H, Gong, Q.G, Shi, Y.Y.
登録日2014-07-14
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献Structural insights into the recognition of the internal A-rich linker from OxyS sRNA by Escherichia coli Hfq
Nucleic Acids Res., 43, 2015
3D4W
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Crystal structure of Staphylococcal nuclease variant Delta+PHS A109R at cryogenic temperature
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Thermonuclease
著者Harms, M.J, Schlessman, J.L, Garcia-Moreno, E.B.
登録日2008-05-15
公開日2009-01-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Arginine residues at internal positions in a protein are always charged.
Proc.Natl.Acad.Sci.USA, 108, 2011
3D50
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GOLGI MANNOSIDASE II complex with N-octyl-6-epi-valienamine
分子名称: (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, ...
著者Kuntz, D.A, Tarling, C.A, Withers, S.G, Rose, D.R.
登録日2008-05-15
公開日2008-08-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen.
Biochemistry, 47, 2008
4R74
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Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (exogenous fructose-6-phosphate bound)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-O-phosphono-beta-D-fructofuranose, ABC-type Fe3+ transport system, ...
著者Sit, B, Calmettes, C, Moraes, T.F.
登録日2014-08-26
公開日2015-08-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
4QXW
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Crystal structure of the human CEACAM1 membrane distal amino terminal (N)-domain
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID, octyl beta-D-glucopyranoside
著者Huang, Y.H, Gandhi, A.K, Russell, A, Kondo, Y, Chen, Q, Petsko, G.A, Blumberg, R.S.
登録日2014-07-22
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献CEACAM1 regulates TIM-3-mediated tolerance and exhaustion.
Nature, 517, 2015
4R7G
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Determination of the formylglycinamide ribonucleotide amidotransferase ammonia pathway by combining 3D-RISM theory with experiment
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ...
著者Tanwar, A.S, Sindhikara, D.J, Hirata, F, Anand, R.
登録日2014-08-27
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Determination of the formylglycinamide ribonucleotide amidotransferase ammonia pathway by combining 3D-RISM theory with experiment.
Acs Chem.Biol., 10, 2015

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