5E51
 
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 with Faropenem adduct | | 分子名称: | (3R)-3-hydroxybutanal, L,D-transpeptidase 1 | | 著者 | Kumar, P, Lamichhane, G, Ginell, S.L. | | 登録日 | 2015-10-07 | | 公開日 | 2016-10-26 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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5TA0
 | | Crystal structure of BuGH86E322Q in complex with neoagarooctaose | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Pluvinage, B, Boraston, A.B, Abbott, W.D. | | 登録日 | 2016-09-09 | | 公開日 | 2017-09-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
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7DTW
 | | Human Calcium-Sensing Receptor in the inactive close-close conformation | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor | | 著者 | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | | 登録日 | 2021-01-06 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-04-14 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
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7N4S
 | | Bruton's tyrosine kinase in complex with compound 65 | | 分子名称: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7DTU
 | | Human Calcium-Sensing Receptor bound with L-Trp | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ... | | 著者 | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | | 登録日 | 2021-01-06 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-04-14 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
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7N4R
 | | Bruton's tyrosine kinase in complex with compound 21 | | 分子名称: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4Q
 | | Bruton's tyrosine kinase in complex with compound 45 | | 分子名称: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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4TX6
 | | AfChiA1 in complex with compound 1 | | 分子名称: | 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION | | 著者 | van Aalten, D.M.F. | | 登録日 | 2014-07-02 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
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7N3Y
 | | Crystal Structure of Saccharomyces cerevisiae Apn2 Catalytic Domain E59Q/D222N Mutant in Complex with DNA | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | | 著者 | Wojtaszek, J.L, Krahn, J, Wallace, B.D, Williams, R.S. | | 登録日 | 2021-06-02 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Molecular basis for processing of topoisomerase 1-triggered DNA damage by Apn2/APE2.
Cell Rep, 41, 2022
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3LDK
 | | Crystal Structure of A. japonicus CB05 | | 分子名称: | Fructosyltransferase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | 著者 | Chuankhayan, P, Chen, C.J, Chaing, C.M, Hsieh, C.Y, Chen, C.D, Hsieh, Y.C. | | 登録日 | 2010-01-13 | | 公開日 | 2010-05-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of Aspergillus japonicus fructosyltransferase complex with donor/acceptor substrates reveal complete sbusites in the active site for catalysis
To be Published
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5E1G
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T208 | | 分子名称: | (2~{S},3~{R},4~{R})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, L,D-transpeptidase 2 | | 著者 | Kumar, P, Lamichhane, G, Ginell, S.L. | | 登録日 | 2015-09-29 | | 公開日 | 2016-10-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.852 Å) | | 主引用文献 | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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7K9I
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6C99
 | | Crystal structure of FcRn bound to UCB-303 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ... | | 著者 | Fox III, D, Abendroth, J, Porter, J, Deboves, H. | | 登録日 | 2018-01-25 | | 公開日 | 2018-05-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
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2Y6K
 | | Xylotetraose bound to X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | | 分子名称: | CALCIUM ION, CITRIC ACID, XYLANASE, ... | | 著者 | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | | 登録日 | 2011-01-24 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
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5DSD
 | | The crystal structure of the C-terminal domain of Ebola (Bundibugyo) nucleoprotein | | 分子名称: | CHLORIDE ION, GLYCEROL, Nucleoprotein | | 著者 | Baker, L, Handing, K.B, Utepbergenov, D, Derewenda, U, Derewenda, Z.S. | | 登録日 | 2015-09-17 | | 公開日 | 2015-09-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Molecular architecture of the nucleoprotein C-terminal domain from the Ebola and Marburg viruses.
Acta Crystallogr D Struct Biol, 72, 2016
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5DVP
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct | | 分子名称: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, L,D-transpeptidase 2, PHOSPHONOACETALDEHYDE, ... | | 著者 | Kumar, P, Lamichhane, G. | | 登録日 | 2015-09-21 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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2YQH
 | | Crystal structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the substrate-binding form | | 分子名称: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A. | | 登録日 | 2007-03-30 | | 公開日 | 2007-05-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
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6MJ3
 | | CRYSTAL STRUCTURE OF RHESUS MACAQUE (MACACA MULATTA) IGG1 Fc Fragment-Fc-GAMMA RECEPTOR III complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Igg1 Fc, ... | | 著者 | Gohain, N, Tolbert, W.D, Pazgier, M. | | 登録日 | 2018-09-20 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Decoding human-macaque interspecies differences in Fc-effector functions: The structural basis for CD16-dependent effector function in Rhesus macaques.
Front Immunol, 13, 2022
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6MJO
 | | CRYSTAL STRUCTURE OF RHESUS MACAQUE (MACACA MULATTA) FC-GAMMA RECEPTOR III | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Low affinity immunoglobulin gamma Fc region receptor III, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Van, V, Tolbert, W.D, Pazgier, M. | | 登録日 | 2018-09-21 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Decoding human-macaque interspecies differences in Fc-effector functions: The structural basis for CD16-dependent effector function in Rhesus macaques.
Front Immunol, 13, 2022
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3LRS
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2YI1
 | | Crystal structure of N-Acetylmannosamine kinase in complex with N- acetyl mannosamine 6-phosphate and ADP. | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, 2-acetamido-2-deoxy-alpha-D-mannopyranose, ... | | 著者 | Martinez, J, Nguyen, L.D, Tauberger, E, Hinderlich, S, Reutter, W, Fan, H, Saenger, W, Moniot, S. | | 登録日 | 2011-05-10 | | 公開日 | 2012-02-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal Structures of N-Acetylmannosamine Kinase Provide Insights Into Enzyme Specificity and Inhibition
J.Biol.Chem., 287, 2012
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7KTX
 | | Cryo-EM structure of Saccharomyces cerevisiae ER membrane protein complex bound to a Fab in DDM detergent | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 2, ... | | 著者 | Miller-Vedam, L.E, Schirle Oakdale, N.S, Braeuning, B, Boydston, E.A, Sevillano, N, Popova, K.D, Bonnar, J.L, Shurtleff, M.J, Prabu, J.R, Stroud, R.M, Craik, C.S, Schulman, B.A, Weissman, J.S, Frost, A. | | 登録日 | 2020-11-24 | | 公開日 | 2020-12-02 | | 最終更新日 | 2020-12-09 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients.
Elife, 9, 2020
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8A6L
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3LPV
 | | X-ray crystal structure of duplex DNA containing a cisplatin 1,2-d(GpG) intrastrand cross-link | | 分子名称: | 5'-D(*CP*CP*TP*CP*TP*GP*GP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*CP*CP*AP*GP*AP*GP*G)-3', Cisplatin, ... | | 著者 | Todd, R.C, Lippard, S.J. | | 登録日 | 2010-02-06 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structure of duplex DNA containing the cisplatin 1,2-{Pt(NH(3))(2)}(2+)-d(GpG) cross-link at 1.77A resolution.
J.Inorg.Biochem., 104, 2010
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6MJQ
 | | Crystal structure of the mCD1d/xxp (JJ295) /iNKTCR ternary complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | | 登録日 | 2018-09-21 | | 公開日 | 2019-01-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
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