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2X6W
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BU of 2x6w by Molmil
Tailspike protein mutant E372Q of E.coli bacteriophage HK620 in complex with hexasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, TAIL SPIKE PROTEIN, ...
著者Lorenzen, N.K, Mueller, J.J, Heinemann, U, Seckler, R, Barbirz, S.
登録日2010-02-22
公開日2011-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity.
Glycobiology, 23, 2013
2X85
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BU of 2x85 by Molmil
Tailspike protein of E. coli bacteriophage HK620 in complex with hexasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, TAILSPIKE PROTEIN HK620, ...
著者Lorenzen, N.K, Mueller, J.J, Heinemann, U, Seckler, R, Barbirz, S.
登録日2010-03-05
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity.
Glycobiology, 23, 2013
4XLF
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BU of 4xlf by Molmil
Tailspike protein double mutant D339N/E372A of E. coli bacteriophage HK620 in complex with pentasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-13
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XN0
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BU of 4xn0 by Molmil
Tailspike protein mutant E372A of E. coli bacteriophage HK620
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-15
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
3WCG
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BU of 3wcg by Molmil
The complex structure of TcSQS with ligand, BPH1344
分子名称: Farnesyltransferase, putative, hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
2X6X
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BU of 2x6x by Molmil
Tailspike protein mutant D339N of E.coli bacteriophage HK620 in complex with hexasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TAILSPIKE PROTEIN HK620, alpha-L-rhamnopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)]alpha-D-galactopyranose
著者Lorenzen, N.K, Mueller, J.J, Heinemann, U, Seckler, R, Barbirz, S.
登録日2010-02-22
公開日2011-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity.
Glycobiology, 23, 2013
3WCA
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BU of 3wca by Molmil
The complex structure of TcSQS with ligand, FSPP
分子名称: Farnesyltransferase, putative, MAGNESIUM ION, ...
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Oldfield, E, Guo, R.T.
登録日2013-05-26
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
2ZAX
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BU of 2zax by Molmil
Crystal Structure of Ferric Cytochrome P450cam
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
著者Sakurai, K, Shimada, H, Harada, K, Hayashi, T, Tsukihara, T.
登録日2007-10-11
公開日2008-01-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evaluation of the functional role of the heme-6-propionate side chain in cytochrome P450cam
J.Am.Chem.Soc., 130, 2008
6J47
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BU of 6j47 by Molmil
OspA variant with a short chameleon sequence from alpha B crystallin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Outer surface protein A, TETRAETHYLENE GLYCOL
著者Makabe, K, Hori, Y.
登録日2019-01-08
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Grafting a short chameleon sequence from alpha B crystallin into a beta-sheet scaffold protein.
Proteins, 87, 2019
4XLE
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BU of 4xle by Molmil
Tailspike protein double mutant D339N/E372A of E. coli bacteriophage HK620 in complex with hexasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-13
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
6JHF
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BU of 6jhf by Molmil
Crystal structure of apo Pullulanase from Paenibacillus barengoltzii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q.
登録日2019-02-18
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii.
Acta Crystallogr D Struct Biol, 76, 2020
4XRM
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BU of 4xrm by Molmil
homodimer of TALE type homeobox transcription factor MEIS1 complexes with specific DNA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(P*AP*GP*CP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*TP*CP*TP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*GP*C)-3'), ...
著者Morgunova, E, Jorma, A, Yin, Y, Nitta, K.R, Dave, K, Enge, M, Kivioja, T, Popov, A, Taipale, J.
登録日2015-01-21
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DNA-dependent formation of transcription factor pairs alters their binding specificity.
Nature, 527, 2015
4XKW
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BU of 4xkw by Molmil
Tailspike protein mutant D339N of E. coli bacteriophage HK620 in complex with pentasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-12
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XLA
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BU of 4xla by Molmil
Tailspike protein mutant D339A of E. coli bacteriophage HK620 IN COMPLEX WITH PENTASACCHARIDE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-13
公開日2016-01-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XM3
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BU of 4xm3 by Molmil
Tailspike protein mutant E372A of E. coli bacteriophage HK620 in complex with pentasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-14
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XN3
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BU of 4xn3 by Molmil
Tailspike protein mutant E372A of E. coli bacteriophage HK620 in complex with hexasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-15
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XON
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BU of 4xon by Molmil
Tailspike protein double mutant D339N/E372Q of E. coli bacteriophage HK620
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-16
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XR6
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BU of 4xr6 by Molmil
Tailspike protein double mutant D339A/E372Q of E. coli bacteriophage HK620 in complex with hexasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-20
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
7L14
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BU of 7l14 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 26
分子名称: 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile, 3C-like proteinase
著者Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-12-14
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
7L13
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BU of 7l13 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 21
分子名称: (5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase
著者Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
登録日2020-12-14
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
4XOT
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BU of 4xot by Molmil
Tailspike protein mutant E372Q of E. coli bacteriophage HK620 in complex with pentasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-16
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
3WCE
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BU of 3wce by Molmil
The complex structure of TcSQS with ligand, ER119884
分子名称: (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol, Farnesyltransferase, putative
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
4XLH
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BU of 4xlh by Molmil
Tailspike protein double mutant D339A/E372A of E. coli bacteriophage HK620
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-13
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XQF
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BU of 4xqf by Molmil
Tailspike protein mutant E372Q (delta D470/N471) of E. coli bacteriophage HK620
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-19
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
2ZWU
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BU of 2zwu by Molmil
Crystal Structure of Camphor Soaked Ferric Cytochrome P450cam
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ...
著者Sakurai, K, Shimada, H, Hayashi, T, Tsukihara, T.
登録日2008-12-18
公開日2009-02-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Substrate binding induces structural changes in cytochrome P450cam
Acta Crystallogr.,Sect.F, 65, 2009

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