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2VW5
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BU of 2vw5 by Molmil
Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90
分子名称: (4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, SULFATE ION
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2008-06-16
公開日2008-09-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimizing Natural Products by Biosynthetic Engineering: Discovery of Nonquinone Hsp90 Inhibitors.
J.Med.Chem., 51, 2008
3UB8
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BU of 3ub8 by Molmil
Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with formamide bound
分子名称: FORMAMIDE, GLYCEROL, SULFATE ION, ...
著者Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J.
登録日2011-10-23
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB.
Structure, 20, 2012
3TIQ
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BU of 3tiq by Molmil
Crystal structure of Staphylococcus aureus SasG G51-E-G52 module
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Surface protein G
著者Gruszka, D.T, Wojdyla, J.A, Turkenburg, J.P, Potts, J.R.
登録日2011-08-21
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8739 Å)
主引用文献Staphylococcal biofilm-forming protein has a contiguous rod-like structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UB9
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BU of 3ub9 by Molmil
Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with hydroxyurea bound
分子名称: GLYCEROL, N-HYDROXYUREA, SULFATE ION, ...
著者Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J.
登録日2011-10-23
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB.
Structure, 20, 2012
3T0T
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BU of 3t0t by Molmil
Crystal structure of S. aureus Pyruvate Kinase
分子名称: N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide, PHOSPHATE ION, Pyruvate kinase
著者Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
登録日2011-07-20
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Cheminformatics-driven discovery of selective, nanomolar inhibitors for staphylococcal pyruvate kinase.
Acs Chem.Biol., 7, 2012
2LDI
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BU of 2ldi by Molmil
NMR solution structure of ZiaAN sub mutant
分子名称: Zinc-transporting ATPase
著者Banci, L, Bertini, I, Felli, I.C, Pavelkova, A.
登録日2011-05-26
公開日2011-11-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Cyanobacterial metallochaperone inhibits deleterious side reactions of copper.
Proc.Natl.Acad.Sci.USA, 109, 2012
5V1L
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BU of 5v1l by Molmil
Structure of S-GNA dodecamer
分子名称: RNA (5'-R(*CP*GP*CP*GP*AP*AP*UP*(ZTH)P*AP*GP*CP*G)-3'), SPERMINE, STRONTIUM ION
著者Pallan, P.S, Egli, M.
登録日2017-03-02
公開日2017-06-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 139, 2017
5V1K
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BU of 5v1k by Molmil
Structure of R-GNA dodecamer
分子名称: RNA (5'-R(*CP*GP*CP*GP*AP*AP*(5BU)P*(8RJ)P*AP*GP*CP*G)-3')
著者Pallan, P.S, Egli, M.
登録日2017-03-02
公開日2017-06-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 2017
3V1K
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BU of 3v1k by Molmil
Crystal Structure of the H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400.
分子名称: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONIC ACID
著者Ghosh, S, Bolin, J.T.
登録日2011-12-09
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
3V3D
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BU of 3v3d by Molmil
Crystal Structure of an eYFP single mutant
分子名称: SULFATE ION, Yellow fluorescent protein
著者Ngan, N.B, Van Hecke, K, Van Meervelt, L.
登録日2011-12-13
公開日2012-12-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Improving the second-order nonlinear optical response of fluorescent proteins: the symmetry argument.
J.Am.Chem.Soc., 135, 2013
3V1N
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BU of 3v1n by Molmil
Crystal Structure of the H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA
分子名称: (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, BENZOIC ACID, ...
著者Ghosh, S, Bolin, J.T.
登録日2011-12-09
公開日2012-03-21
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
3V1L
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BU of 3v1l by Molmil
Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400
分子名称: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONIC ACID
著者Ghosh, S, Bolin, J.T.
登録日2011-12-09
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
5VR4
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BU of 5vr4 by Molmil
RNA octamer containing 2'-F-4'-OMe U.
分子名称: COBALT TETRAAMMINE ION, RNA (5'-R(*CP*GP*AP*AP*(UMO)P*UP*CP*G)-3')
著者Harp, J.M, Egli, M.
登録日2017-05-10
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.
J. Am. Chem. Soc., 139, 2017
6ZP5
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BU of 6zp5 by Molmil
SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up closed conformation)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Martinez, M, Marabini, R, Carazo, J.M.
登録日2020-07-08
公開日2020-07-29
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
2MH8
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BU of 2mh8 by Molmil
GA-79-MBP cs-rosetta structures
分子名称: GA-79-MBP, maltose binding protein
著者He, Y, Chen, Y, Porter, L, Bryan, P, Orban, J.
登録日2013-11-19
公開日2015-04-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Subdomain interactions foster the design of two protein pairs with 80% sequence identity but different folds.
Biophys.J., 108, 2015
5V2H
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BU of 5v2h by Molmil
RNA octamer containing glycol nucleic acid, SgnT
分子名称: COBALT HEXAMMINE(III), MAGNESIUM ION, RNA (5'-R(*(CBV)P*GP*AP*AP*(ZTH)P*UP*CP*G)-3')
著者Harp, J.M, Egli, M.
登録日2017-03-04
公開日2017-06-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.080013 Å)
主引用文献Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 139, 2017
3V1M
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BU of 3v1m by Molmil
Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA
分子名称: (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION
著者Ghosh, S, Bolin, J.T.
登録日2011-12-09
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
6ZP7
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BU of 6zp7 by Molmil
SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up open conformation)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Martinez, M, Marabini, R, Carazo, J.M.
登録日2020-07-08
公開日2020-07-29
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
6ZOW
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BU of 6zow by Molmil
SARS-CoV-2 spike in prefusion state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Martinez, M, Marabini, R, Carazo, J.M.
登録日2020-07-07
公開日2020-07-29
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
3TCT
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BU of 3tct by Molmil
Structure of wild-type TTR in complex with tafamidis
分子名称: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin
著者Connelly, S, Kelly, J.W, Wilson, I.A.
登録日2011-08-09
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tafamidis, a potent and selective transthyretin kinetic stabilizer that inhibits the amyloid cascade.
Proc.Natl.Acad.Sci.USA, 109, 2012
5UYR
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BU of 5uyr by Molmil
Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP mutant D199A from Xanthomonas campestris
分子名称: BILIVERDINE IX ALPHA, Bacteriophytochrome
著者Otero, L.H, Klinke, S, Goldbaum, F.A, Bonomi, H.R.
登録日2017-02-24
公開日2018-02-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Pr-favoured variants of the bacteriophytochrome from the plant pathogen Xanthomonas campestris hint on light regulation of virulence-associated mechanisms.
Febs J., 288, 2021
2MKX
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BU of 2mkx by Molmil
Solution structure of LysM the peptidoglycan binding domain of autolysin AtlA from Enterococcus faecalis
分子名称: Autolysin
著者Baxter, N.J, Williamson, M.P.
登録日2014-02-14
公開日2014-06-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular basis for bacterial peptidoglycan recognition by LysM domains.
Nat Commun, 5, 2014
3UB6
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BU of 3ub6 by Molmil
Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with urea bound
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
著者Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J.
登録日2011-10-23
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB.
Structure, 20, 2012
4V1F
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BU of 4v1f by Molmil
Crystal structure of a mycobacterial ATP synthase rotor ring in complex with Bedaquiline
分子名称: Bedaquiline, F0F1 ATP SYNTHASE SUBUNIT C, octyl beta-D-glucopyranoside
著者Preiss, L, Yildiz, O, Meier, T.
登録日2014-09-26
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Structure of the mycobacterial ATP synthase Fo rotor ring in complex with the anti-TB drug bedaquiline.
Sci Adv, 1, 2015
4V1G
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BU of 4v1g by Molmil
Crystal structure of a mycobacterial ATP synthase rotor ring
分子名称: F0F1 ATP SYNTHASE SUBUNIT C, octyl beta-D-glucopyranoside
著者Preiss, L, Yildiz, O, Meier, T.
登録日2014-09-26
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of the Mycobacterial ATP Synthase Fo Rotor Ring in Complex with the Anti-Tb Drug Bedaquiline.
Sci.Adv., 1, 2015

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