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6ITA
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BU of 6ita by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
分子名称: Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-11-20
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
5ZZ3
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BU of 5zz3 by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3
分子名称: Butyrophilin, subfamily 3, member A3 isoform b variant
著者Yang, Y.Y, Li, X, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-30
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
5ZXK
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BU of 5zxk by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-21
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
4ZME
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BU of 4zme by Molmil
Crystal Structure of the Alpha-kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with Adenosine
分子名称: ADENOSINE, Myosin heavy chain kinase A, PHOSPHATE ION, ...
著者Ye, Q, Jia, Z.
登録日2015-05-03
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Characterization of the Catalytic and Nucleotide Binding Properties of the alpha-Kinase Domain of Dictyostelium Myosin-II Heavy Chain Kinase A.
J.Biol.Chem., 290, 2015
4ZMF
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BU of 4zmf by Molmil
Phosphorylated Aspartate in the Crystal Structure of the Alpha-kinase domain of Myosin-II Heavy Chain Kinase A
分子名称: ADENOSINE MONOPHOSPHATE, Myosin heavy chain kinase A, PHOSPHATE ION, ...
著者Ye, Q, Jia, Z.
登録日2015-05-04
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Characterization of the Catalytic and Nucleotide Binding Properties of the alpha-Kinase Domain of Dictyostelium Myosin-II Heavy Chain Kinase A.
J.Biol.Chem., 290, 2015
4ZS4
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BU of 4zs4 by Molmil
Crystal Structure of the Inactive Alpha-kinase Domain of Myosin-II Heavy Chain Kinase A (D756A) Complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Myosin heavy chain kinase A, PHOSPHATE ION, ...
著者Ye, Q, Jia, Z.
登録日2015-05-13
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization of the Catalytic and Nucleotide Binding Properties of the alpha-Kinase Domain of Dictyostelium Myosin-II Heavy Chain Kinase A.
J.Biol.Chem., 290, 2015
2MCF
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BU of 2mcf by Molmil
NMR structure of TGAM_1934
分子名称: TGAM_1934
著者Yang, Y, Montet de Guillen, K, Roumestand, C.
登録日2013-08-19
公開日2014-09-03
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Prioritizing targets for structural biology through the lens of proteomics: the archaeal protein TGAM_1934 from Thermococcus gammatolerans.
Proteomics, 15, 2015
7V55
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BU of 7v55 by Molmil
Crystal structure of phospholipase D from Pseudomonas aeruginosa PAO1 using in situ proteolysis
分子名称: CALCIUM ION, Phospholipase D
著者Yang, Y, Li, Z.
登録日2021-08-16
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into PA3488-mediated inactivation of Pseudomonas aeruginosa PldA.
Nat Commun, 13, 2022
7V53
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BU of 7v53 by Molmil
Crystal structure of full-length phospholipase D from Pseudomonas aeruginosa PAO1
分子名称: Phospholipase D
著者Yang, Y, Li, Z.
登録日2021-08-16
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into PA3488-mediated inactivation of Pseudomonas aeruginosa PldA.
Nat Commun, 13, 2022
6J0Q
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BU of 6j0q by Molmil
Crystal structure of P domain from GII.11 swine norovirus
分子名称: VP1 capsid protein
著者Chen, Y.
登録日2018-12-25
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019
8YLE
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BU of 8yle by Molmil
Crystal structure of Werner syndrome helicase complexed with AMP-PCP
分子名称: 1,2-ETHANEDIOL, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Yang, Y, Fu, L, Sun, X, Cheng, H, Chen, R.
登録日2024-03-06
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure of werner syndrome helicase complexed with AMP-PCP at 1.86 Angstroms resolution.
To Be Published
7EL8
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BU of 7el8 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase
分子名称: Tryptophan--tRNA ligase
著者Xu, M, Chen, S.
登録日2021-04-09
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7ENS
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BU of 7ens by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Indolmycin and ATP
分子名称: (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xu, M, Chen, S.
登録日2021-04-19
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7ELT
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BU of 7elt by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Trp-AMP
分子名称: TRYPTOPHANYL-5'AMP, Tryptophan--tRNA ligase
著者Xu, M, Chen, S.
登録日2021-04-12
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7ENT
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BU of 7ent by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-13 and ATP
分子名称: (5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xu, M, Chen, S.
登録日2021-04-19
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7EV3
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BU of 7ev3 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-10 and ATP
分子名称: (5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xu, M, Chen, S.
登録日2021-05-20
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7EV2
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BU of 7ev2 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-11 and ATP
分子名称: (5S)-5-[(1R)-1-(4-chloranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xu, M, Chen, S.
登録日2021-05-20
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
6BWW
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BU of 6bww by Molmil
Crystal structure of an acetate and Cymal-5 bound cytochrome P450 2B4 F429H mutant
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ACETATE ION, Cytochrome P450 2B4, ...
著者Yang, Y.T, Waskell, L.
登録日2017-12-15
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of cytochrome P450 2B4 with an acetate ligand and an active site hydrogen bond network similar to oxyferrous P450cam.
J.Inorg.Biochem., 185, 2018
7CRF
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BU of 7crf by Molmil
Crystal structure of human TLR8 in complex with CU-CPD107
分子名称: 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
著者Sakaniwa, K, Tanji, H, Ohto, U, Shimizu, T.
登録日2020-08-13
公開日2021-06-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Tetrasubstituted imidazoles as incognito Toll-like receptor 8 a(nta)gonists.
Nat Commun, 12, 2021
7VBT
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BU of 7vbt by Molmil
Crystal structure of RIOK2 in complex with CQ211
分子名称: 8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-[1,2,3]triazolo[4,5-c]quinolin-4-one, Serine/threonine-protein kinase RIO2
著者Zhu, C, Zhang, Z.M.
登録日2021-09-01
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.54001474 Å)
主引用文献Discovery of 8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro- 4H -[1,2,3]triazolo[4,5- c ]quinolin-4-one (CQ211) as a Highly Potent and Selective RIOK2 Inhibitor.
J.Med.Chem., 65, 2022
5OEL
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BU of 5oel by Molmil
Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1
分子名称: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
著者Futterer, K, Batt, S.M, Besra, G.S.
登録日2017-07-08
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OEQ
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BU of 5oeq by Molmil
Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020
分子名称: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Futterer, K, Batt, S.M, Besra, G.S.
登録日2017-07-09
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
3KF6
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BU of 3kf6 by Molmil
Crystal structure of S. pombe Stn1-ten1 complex
分子名称: Protein stn1, Protein ten1
著者Sun, J, Yu, E.Y, Yang, Y.T, Confer, L.A, Sun, S.H, Wan, K, Lue, N.F, Lei, M.
登録日2009-10-27
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Stn1-Ten1 is an Rpa2-Rpa3-like complex at telomeres.
Genes Dev., 23, 2009
4LST
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BU of 4lst by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade C strain ZM176.66 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, HEAVY CHAIN OF ANTIBODY VRC01, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4OLS
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BU of 4ols by Molmil
The amidase-2 domain of LysGH15
分子名称: Endolysin, FE (III) ION, MAGNESIUM ION, ...
著者Gu, J, Ouyang, S, Liu, Z.J, Han, W.
登録日2014-01-24
公開日2014-06-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014

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