5OUL
 
 | | The crystal structure of CK2alpha in complex with compound 9 | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine, ... | | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2017-08-24 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
|
|
8CAY
 | | PBP AccA from A. tumefaciens Bo542 in complex with Agrocinopine D-like | | 分子名称: | Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses), Agrocinopine utilization periplasmic binding protein AccA, ... | | 著者 | Morera, S, Vigouroux, A, Siragu, S. | | 登録日 | 2023-01-24 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.626 Å) | | 主引用文献 | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
|
|
5OT5
 | | The crystal structure of CK2alpha in complex with compound 24 | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2017-08-21 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
|
|
5OTD
 | | The crystal structure of CK2alpha in complex with compound 25 | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2017-08-21 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
|
|
8CKD
 | | PBP AccA from A. fabrum C58 in complex with agrocinopine D-like | | 分子名称: | 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), ... | | 著者 | Morera, S, Vigouroux, A. | | 登録日 | 2023-02-15 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
|
|
5OTQ
 | | The crystal structure of CK2alpha in complex with compound 33 | | 分子名称: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha | | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2017-08-22 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
|
|
5OTZ
 | | The crystal structure of CK2alpha in complex with compound 1 | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine, ... | | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2017-08-22 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
|
|
5IEF
 | | Murine endoplasmic reticulum alpha-glucosidase II with N-butyl-1-deoxynojirimycin | | 分子名称: | (2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | 登録日 | 2016-02-25 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
6WEW
 | | Crystal structures of human E-NPP 1: bound to N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Peat, T.S, Dennis, M, Newman, J. | | 登録日 | 2020-04-03 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
|
|
6DF6
 | | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab | | 分子名称: | (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | | 登録日 | 2018-05-14 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
|
|
5IEE
 | | Murine endoplasmic reticulum alpha-glucosidase II with 1-deoxynojirimycin | | 分子名称: | 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | 登録日 | 2016-02-25 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
1U64
 | | The Solution Structure of d(G3T4G4)2 | | 分子名称: | 5'-D(*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3' | | 著者 | Sket, P, Crnugelj, M, Plavec, J. | | 登録日 | 2004-07-29 | | 公開日 | 2004-10-26 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | d(G3T4G4) forms unusual dimeric G-quadruplex structure with the same general fold in the presence of K+, Na+ or NH4+ ions.
Bioorg.Med.Chem., 12, 2004
|
|
5OSP
 | | The crystal structure of CK2alpha in complex with an analogue of compound 1 | | 分子名称: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2017-08-18 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
|
|
5OUU
 | | The crystal structure of CK2alpha in complex with compound 22 | | 分子名称: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2017-08-25 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
|
|
6WFJ
 | | Crystal structures of human E-NPP 1: apo | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Peat, T.S, Dennis, M, Newman, J. | | 登録日 | 2020-04-03 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
|
|
4GXD
 | | Crystal structure of D48V mutant of human GLTP bound with 12:0 disulfatide | | 分子名称: | Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide | | 著者 | Samygina, V.R, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L. | | 登録日 | 2012-09-04 | | 公開日 | 2013-04-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
|
|
4M7Z
 | | Unliganded 1 crystal structure of S25-26 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H. | | 登録日 | 2013-08-12 | | 公開日 | 2014-04-09 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
|
|
3NTZ
 | | Design, Synthesis, Biological Evaluation and X-ray Crystal Structures of Novel Classical 6,5,6-tricyclicbenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors | | 分子名称: | Dihydrofolate reductase, N-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V. | | 登録日 | 2010-07-06 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011
|
|
5IED
 | | Murine endoplasmic reticulum alpha-glucosidase II with castanospermine | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | 登録日 | 2016-02-25 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
8D5D
 | |
8D88
 | |
8D5R
 | | Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-ornithine | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ACETATE ION, ... | | 著者 | Phillips, R.S, Nguyen Hoang, K.N. | | 登録日 | 2022-06-06 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site.
Arch.Biochem.Biophys., 731, 2022
|
|
3NV8
 | | The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase in complex with phosphoenol pyruvate and manganese (thesit-free) | | 分子名称: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Parker, E.J, Jameson, G.B, Jiao, W, Hutton, R.H, Webby, C.J, Baker, E.N, Baker, H.M. | | 登録日 | 2010-07-08 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Synergistic allostery, a sophisticated regulatory network for the control of aromatic amino acid biosynthesis in Mycobacterium tuberculosis
J.Biol.Chem., 285, 2010
|
|
5OJT
 | |
2XEP
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | 分子名称: | CHLORIDE ION, GLYCEROL, ORF12 | | 著者 | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | 登録日 | 2010-05-17 | | 公開日 | 2011-06-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
