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4U9W
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Crystal Structure of NatD bound to H4/H2A peptide and CoA
分子名称: COENZYME A, GLYCEROL, Histone H4/H2A N-terminus, ...
著者Magin, R.S, Liszczak, G.P, Marmorstein, R.
登録日2014-08-06
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The Molecular Basis for Histone H4- and H2A-Specific Amino-Terminal Acetylation by NatD.
Structure, 23, 2015
2MCW
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BU of 2mcw by Molmil
Solid-state NMR structure of piscidin 3 in aligned 3:1 phosphatidylcholine/phosphoglycerol lipid bilayers
分子名称: Piscidin-3
著者Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Pastor, R.W, Cotten, M.L.
登録日2013-08-27
公開日2014-01-22
最終更新日2014-03-19
実験手法SOLID-STATE NMR
主引用文献High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
3VV6
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BU of 3vv6 by Molmil
Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one
分子名称: 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ...
著者Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
登録日2012-07-17
公開日2012-10-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode
J.Med.Chem., 55, 2012
2MCV
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BU of 2mcv by Molmil
Solid-state NMR structure of piscidin 1 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers
分子名称: Moronecidin
著者Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Hayden, R.M, Pastor, R.W, Cotten, M.L.
登録日2013-08-27
公開日2014-01-22
最終更新日2014-03-19
実験手法SOLID-STATE NMR
主引用文献High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
3VG6
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BU of 3vg6 by Molmil
Barium derivative of human LFABP
分子名称: BARIUM ION, Fatty acid-binding protein, liver, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3VG2
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BU of 3vg2 by Molmil
Iodide derivative of human LFABP
分子名称: Fatty acid-binding protein, liver, IODIDE ION, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3VZN
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BU of 3vzn by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35E mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose
分子名称: Endo-1,4-beta-xylanase, SULFATE ION, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
著者Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
登録日2012-10-15
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3VMO
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BU of 3vmo by Molmil
Crystal structure of dextranase from Streptococcus mutans in complex with isomaltotriose
分子名称: Dextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
著者Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Okuyama, M, Mori, H, Funane, K, Kimura, A.
登録日2011-12-14
公開日2012-02-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural elucidation of dextran degradation mechanism by streptococcus mutans dextranase belonging to glycoside hydrolase family 66
J.Biol.Chem., 287, 2012
3MIS
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BU of 3mis by Molmil
I-MsoI re-designed for altered DNA cleavage specificity (-8G)
分子名称: CALCIUM ION, DNA (5'-D(*CP*GP*GP*AP*GP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*GP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*CP*TP*CP*CP*G)-3'), ...
著者Taylor, G.K, Stoddard, B.L.
登録日2010-04-12
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
3VV8
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BU of 3vv8 by Molmil
Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one
分子名称: 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL
著者Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
登録日2012-07-17
公開日2012-10-24
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
2MI5
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BU of 2mi5 by Molmil
Structure of insect-specific sodium channel toxin mu-Dc1a
分子名称: Mu-diguetoxin-Dc1a
著者Bende, N.S, Mobli, M, King, G.F.
登録日2013-12-08
公開日2014-07-23
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A distinct sodium channel voltage-sensor locus determines insect selectivity of the spider toxin Dc1a.
Nat Commun, 5, 2014
2MCX
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BU of 2mcx by Molmil
Solid-state NMR structure of piscidin 3 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers
分子名称: Piscidin-3
著者Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Wieczorek, W.E, Pastor, R.W, Cotten, M.L.
登録日2013-08-27
公開日2014-01-22
最終更新日2021-08-18
実験手法SOLID-STATE NMR
主引用文献High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
3VG5
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BU of 3vg5 by Molmil
Barium derivative of human LFABP
分子名称: BARIUM ION, Fatty acid-binding protein, liver, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3W1F
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BU of 3w1f by Molmil
Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide
分子名称: 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y.
登録日2012-11-14
公開日2013-06-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
3VNA
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BU of 3vna by Molmil
Structural insights into small RNA sorting and mRNA binding by Arabidopsis Ago Mid domains
分子名称: Protein argonaute 1, SULFATE ION
著者Yuan, Y.A, Zha, X.
登録日2012-01-11
公開日2012-10-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into small RNA sorting and mRNA target binding by Arabidopsis Argonaute Mid domains
Febs Lett., 586, 2012
3VID
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BU of 3vid by Molmil
Crystal structure of human VEGFR2 kinase domain with Compound A.
分子名称: 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2
著者Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
登録日2011-09-29
公開日2012-08-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
2MCU
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BU of 2mcu by Molmil
Solid-state NMR structure of piscidin 1 in aligned 3:1 phosphatidylcholine/phosphoglycerol lipid bilayers
分子名称: Moronecidin
著者Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Pastor, R.W, Cotten, M.L.
登録日2013-08-27
公開日2014-01-22
最終更新日2014-03-19
実験手法SOLID-STATE NMR
主引用文献High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
4V11
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BU of 4v11 by Molmil
Structure of Synaptotagmin-1 with SV2A peptide phosphorylated at Thr84
分子名称: CALCIUM ION, GLYCEROL, SYNAPTIC VESICLE GLYCOPROTEIN 2A, ...
著者Zhang, N, Gordon, S.L, Fritsch, M.J, Esoof, N, Campbell, D, Gourlay, R, Velupillai, S, Macartney, T, Peggie, M, vanAalten, D.M.F, Cousin, M.A, Alessi, D.R.
登録日2014-09-22
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Phosphorylation of Synaptic Vesicle Protein 2A at Thr84 by Casein Kinase 1 Family Kinases Controls the Specific Retrieval of Synaptotagmin-1.
J.Neurosci., 35, 2015
3VZM
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BU of 3vzm by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) E172H mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose
分子名称: Endo-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
著者Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
登録日2012-10-15
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3VV7
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BU of 3vv7 by Molmil
Crystal Structure of beta secetase in complex with 2-amino-6-((1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidin-4(3H)-one
分子名称: 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ...
著者Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
登録日2012-07-17
公開日2012-10-24
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
3VZK
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BU of 3vzk by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35E mutant
分子名称: Endo-1,4-beta-xylanase, SULFATE ION
著者Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
登録日2012-10-14
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3VZO
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BU of 3vzo by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35H mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose
分子名称: Endo-1,4-beta-xylanase, SULFATE ION, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
著者Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
登録日2012-10-15
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3VZV
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BU of 3vzv by Molmil
Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor
分子名称: 1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide, E3 ubiquitin-protein ligase Mdm2
著者Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T.
登録日2012-10-16
公開日2013-02-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lead optimization of novel p53-MDM2 interaction inhibitors possessing dihydroimidazothiazole scaffold
Bioorg.Med.Chem.Lett., 23, 2013
2M4J
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BU of 2m4j by Molmil
40-residue beta-amyloid fibril derived from Alzheimer's disease brain
分子名称: Amyloid beta A4 protein
著者Lu, J, Qiang, W, Meredith, S.C, Yau, W, Schweiters, C.D, Tycko, R.
登録日2013-02-05
公開日2013-09-25
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Molecular Structure of beta-Amyloid Fibrils in Alzheimer's Disease Brain Tissue.
Cell(Cambridge,Mass.), 154, 2013
3WWO
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BU of 3wwo by Molmil
S-selective hydroxynitrile lyase from Baliospermum montanum (apo1)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-hydroxynitrile lyase, CALCIUM ION
著者Nakano, S, Dadashipour, M, Asano, Y.
登録日2014-06-23
公開日2014-10-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and functional analysis of hydroxynitrile lyase from Baliospermum montanum with crystal structure, molecular dynamics and enzyme kinetics
Biochim.Biophys.Acta, 1844, 2014

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