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4KZ7
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BU of 4kz7 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)
分子名称: (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ9
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BU of 4kz9 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol)
分子名称: (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ5
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BU of 4kz5 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine)
分子名称: Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
5I46
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BU of 5i46 by Molmil
Factor VIIA in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
分子名称: (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wei, A.
登録日2016-02-11
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Atropisomer Control in Macrocyclic Factor VIIa Inhibitors.
J.Med.Chem., 59, 2016
4EWX
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BU of 4ewx by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-04-28
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4EXX
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BU of 4exx by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-05-01
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4EY1
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BU of 4ey1 by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-05-01
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.471 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
8IZE
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BU of 8ize by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP
分子名称: Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate
著者Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2023-04-07
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IXV
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BU of 8ixv by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP
分子名称: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ...
著者Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2023-04-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IZG
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BU of 8izg by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP
分子名称: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ...
著者Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2023-04-07
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
4DYG
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BU of 4dyg by Molmil
Crystal Structure of a Family GH-19 Chitinase from rye seeds in complex with (GlcNAc)4
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Basic endochitinase C, ...
著者Numata, T, Umemoto, N, Ohnuma, T, Fukamizo, T.
登録日2012-02-29
公開日2012-08-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure and chitin oligosaccharide-binding mode of a 'loopful' family GH19 chitinase from rye, Secale cereale, seeds
Febs J., 279, 2012
8JYE
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BU of 8jye by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, ...
著者Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H.
登録日2023-07-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYA
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BU of 8jya by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with IPP
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Butyrophylin 3, SULFATE ION
著者Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYF
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BU of 8jyf by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with DMAPP
分子名称: Butyrophylin 3, DIMETHYLALLYL DIPHOSPHATE, SULFATE ION
著者Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYC
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BU of 8jyc by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with DMAPP
分子名称: 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1, ...
著者Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H.
登録日2023-07-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JY9
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BU of 8jy9 by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophylin 3, SULFATE ION
著者Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYB
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BU of 8jyb by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3
分子名称: Butyrophylin 3, SULFATE ION
著者Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
4EWW
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BU of 4eww by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-04-28
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4EX0
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BU of 4ex0 by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-04-29
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4EYN
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BU of 4eyn by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-05-01
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4F0O
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BU of 4f0o by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-05-04
公開日2013-05-08
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.672 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4F0N
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BU of 4f0n by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-05-04
公開日2013-05-08
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4F4T
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BU of 4f4t by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-05-11
公開日2013-05-15
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.637 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4EYP
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BU of 4eyp by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-05-01
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4F1A
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BU of 4f1a by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-05-06
公開日2013-05-08
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013

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