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6DFE
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The structure of a ternary complex of E. coli WaaC
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ADP-heptose--LPS heptosyltransferase, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name)
著者Worrall, L.J, Blaukopf, M, Withers, S.G, Strynadka, N.C.J.
登録日2018-05-14
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Insights into Heptosyltransferase I Catalysis and Inhibition through the Structure of Its Ternary Complex.
Structure, 26, 2018
5RWV
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1103351268
分子名称: 2-methyl-1-[(oxan-4-yl)amino]propan-2-ol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXM
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434894
分子名称: DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXB
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BU of 5rxb by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434821
分子名称: 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXG
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INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434909
分子名称: (2S)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
2L94
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BU of 2l94 by Molmil
Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication
分子名称: N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium, RNA_(45-MER)
著者Marcheschi, R.J, Tonelli, M, Kumar, A, Butcher, S.E.
登録日2011-01-29
公開日2011-06-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the HIV-1 Frameshift Site RNA Bound to a Small Molecule Inhibitor of Viral Replication.
Acs Chem.Biol., 6, 2011
4KVR
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BU of 4kvr by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant V41Y)
分子名称: Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID
著者Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
登録日2013-05-23
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
4KVS
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BU of 4kvs by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant A134F)
分子名称: Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID
著者Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
登録日2013-05-23
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
6OMC
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BU of 6omc by Molmil
capsid of T5 virion
分子名称: Major capsid protein
著者Huet, A, Duda, R.L, Boulanger, P, Conway, J.F.
登録日2019-04-18
公開日2019-10-02
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Capsid expansion of bacteriophage T5 revealed by high resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 116, 2019
5PAE
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BU of 5pae by Molmil
Crystal Structure of Factor VIIa in complex with (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
分子名称: (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide, CALCIUM ION, Coagulation factor VII heavy chain, ...
著者Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
登録日2016-11-10
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a Factor VIIa complex
To be published
3VUP
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BU of 3vup by Molmil
Beta-1,4-mannanase from the common sea hare Aplysia kurodai
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-1,4-mannanase, SULFATE ION
著者Mizutani, K, Tsuchiya, S, Toyoda, M, Nanbu, Y, Tominaga, K, Yuasa, K, Takahashi, N, Tsuji, A, Mikami, B.
登録日2012-07-04
公開日2012-10-17
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structure of beta-1,4-mannanase from the common sea hare Aplysia kurodai at 1.05 A resolution.
Acta Crystallogr.,Sect.F, 68, 2012
6OMA
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BU of 6oma by Molmil
non-decorated head of the phage T5
分子名称: Major capsid protein
著者Huet, A, Duda, R.L, Boulanger, P, Conway, J.F.
登録日2019-04-18
公開日2019-10-02
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Capsid expansion of bacteriophage T5 revealed by high resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 116, 2019
6LQW
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BU of 6lqw by Molmil
Crystal structure of a dimeric yak lactoperoxidase at 2.59 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Viswanathan, V, Pandey, S.N, Ahmad, N, Rani, C, Sharma, P, Sharma, S, Singh, T.P.
登録日2020-01-14
公開日2020-01-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a dimeric yak lactoperoxidase at 2.59 A resolution.
To Be Published
3W53
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BU of 3w53 by Molmil
Crystal structure of psychrophilic beta-glucosidase BglU from Micrococcus antarcticus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase
著者Hou, Y.J, Miao, L.L, Li, D.F, Liu, Z.P.
登録日2013-01-18
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and biochemical identification of key factors responsible for cold adaptation of Micrococcus antarcticus beta-glucosidase BglU
To be Published
5J7A
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BU of 5j7a by Molmil
Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
著者Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J.
登録日2016-04-06
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
3WN2
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BU of 3wn2 by Molmil
Crystal Structure of Streptomyces coelicolor alpha-L-arabinofuranosidase in complex with xylohexaose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Fujimoto, Z, Maehara, T, Ichinose, H, Michikawa, M, Harazono, K, Kaneko, S.
登録日2013-11-29
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and characterization of the glycoside hydrolase family 62 alpha-L-arabinofuranosidase from Streptomyces coelicolor
J.Biol.Chem., 289, 2014
7MYT
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BU of 7myt by Molmil
Crystal Structure of HPV L1-directed B25.M05 Fab
分子名称: B25.M05 Fab Heavy Chain, B25.M05 Fab Light Chain
著者Singh, S, Pancera, M.
登録日2021-05-21
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Characterization of Immune Responses to HPV vaccination
To Be Published
6AYD
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BU of 6ayd by Molmil
Pim1 complexed with N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
分子名称: N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide, Serine/threonine-protein kinase pim-1
著者Shewchuk, L.M, Henley, Z.A.
登録日2017-09-08
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
3WH9
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BU of 3wh9 by Molmil
The ligand-free structure of ManBK from Aspergillus niger BK01
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Huang, J.W, Chen, C.C, Huang, C.H, Huang, T.Y, Wu, T.H, Cheng, Y.S, Ko, T.P, Lin, C.Y, Liu, J.R, Guo, R.T.
登録日2013-08-22
公開日2014-10-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural Analysis and Rational Design to Improve Specific Activity of beta-Mannanase from Aspergillus Niger BK01
To be Published
6P8N
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BU of 6p8n by Molmil
Crystal Structure of Antibody P-p1f1 in Complex with eOD-GT8
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ...
著者Weidle, C, Pancera, M.
登録日2019-06-07
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Overcoming Steric Restrictions of VRC01 HIV-1 Neutralizing Antibodies through Immunization.
Cell Rep, 29, 2019
3WMG
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BU of 3wmg by Molmil
Crystal structure of an inward-facing eukaryotic ABC multidrug transporter G277V/A278V/A279V mutant in complex with an cyclic peptide inhibitor, aCAP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-binding cassette, sub-family B, ...
著者Kodan, A, Yamaguchi, T, Nakatsu, T, Sakiyama, K, Hipolito, C.J, Fujioka, A, Hirokane, R, Ikeguchi, K, Watanabe, B, Hirtake, J, Kimura, Y, Suga, H, Ueda, K, Kato, H.
登録日2013-11-18
公開日2014-04-30
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WMY
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BU of 3wmy by Molmil
Crystal Structure of Streptomyces coelicolor alpha-L-arabinofuranosidase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Fujimoto, Z, Maehara, T, Ichinose, H, Michikawa, M, Harazono, K, Kaneko, S.
登録日2013-11-29
公開日2014-02-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure and characterization of the glycoside hydrolase family 62 alpha-L-arabinofuranosidase from Streptomyces coelicolor
J.Biol.Chem., 289, 2014
6PFB
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BU of 6pfb by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid.
分子名称: 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.089 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PGE
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WDR5delta32 bound to ethyl 3-(4-(hydroxymethyl)-1H-imidazol-2-yl)propanoate
分子名称: 1,2-ETHANEDIOL, SULFATE ION, WD repeat-containing protein 5, ...
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
3R0W
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BU of 3r0w by Molmil
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors.
分子名称: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
著者Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
登録日2011-03-09
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012

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