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PDB: 3048 件
4BTY
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Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
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, 5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ...
著者Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A.
登録日2013-06-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
6WBZ
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Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group
分子名称: (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Klein, D.J, Yu, W.
登録日2020-03-28
公開日2020-05-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
4C1T
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Structure of the xylo-oligosaccharide specific solute binding protein from Bifidobacterium animalis subsp. lactis Bl-04 in complex with arabinoxylotriose
分子名称: PENTAETHYLENE GLYCOL, SUGAR TRANSPORTER SOLUTE-BINDING PROTEIN, alpha-L-arabinofuranose-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Fredslund, F, Ejby, M, Vujicic-Zagar, A, Svensson, B, Slotboom, D.J, Abou Hachem, M.
登録日2013-08-13
公開日2013-10-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural Basis for Arabinoxylo-Oligosaccharide Capture by the Probiotic Bifidobacterium Animalis Subsp. Lactis Bl-04
Mol.Microbiol., 90, 2013
6THN
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BU of 6thn by Molmil
Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E symmetry expansion+2fold focused classification
分子名称: Genome polyprotein, MYRISTIC ACID, RNA Peak 9 Bernoulli Plot, ...
著者Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G.
登録日2019-11-20
公開日2020-12-09
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts.
Plos Pathog., 16, 2020
5LWQ
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CeuE (H227L variant) a periplasmic protein from Campylobacter jejuni
分子名称: BROMIDE ION, Enterochelin uptake periplasmic binding protein, SODIUM ION
著者Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S.
登録日2016-09-19
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
4AK7
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Crystal structure of BpGH117_E303Q in complex with neoagarobiose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ANHYDRO-ALPHA-L-GALACTOSIDASE, ...
著者Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B.
登録日2012-02-21
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012
4A6G
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N-acyl amino acid racemase from Amycalotopsis sp. Ts-1-60: G291D- F323Y mutant in complex with N-acetyl methionine
分子名称: MAGNESIUM ION, N-ACETYLMETHIONINE, N-ACYLAMINO ACID RACEMASE
著者Baxter, S, Royer, S, Grogan, G, Holt-Tiffin, K.E, Taylor, I.N, Fotheringham, I.G, Campopiano, D.J.
登録日2011-11-02
公開日2012-11-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献An Improved Racemase/Acylase Biotransformation for the Preparation of Enantiomerically Pure Amino Acids.
J.Am.Chem.Soc., 134, 2012
4A3P
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Structure of USP15 DUSP-UBL deletion mutant
分子名称: ACETATE ION, IODIDE ION, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 15
著者Elliott, P.R, Liu, H, Pastok, M.W, Grossmann, G.J, Rigden, D.J, Clague, M.J, Urbe, S, Barsukov, I.L.
登録日2011-10-03
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Variability of the Ubiquitin Specific Protease Dusp-Ubl Double Domains.
FEBS Lett., 585, 2011
5LUF
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BU of 5luf by Molmil
Cryo-EM of bovine respirasome
分子名称: COPPER (II) ION, Cytochrome b, Cytochrome b-c1 complex subunit 1, ...
著者Sousa, J.S, Mills, D.J, Vonck, J, Kuehlbrandt, W.
登録日2016-09-08
公開日2016-11-30
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (9.1 Å)
主引用文献Functional asymmetry and electron flow in the bovine respirasome.
Elife, 5, 2016
4CFM
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BU of 4cfm by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-18
公開日2014-12-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
3I2M
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BU of 3i2m by Molmil
The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi s Sarcoma-Associated Herpesvirus
分子名称: ORF59
著者Baltz, J.L, Filman, D.J, Ciustea, M, Silverman, J.E.Y, Lautenschlager, C.L, Coen, D.M, Ricciardi, R.P, Hogle, J.M.
登録日2009-06-29
公開日2010-05-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The crystal structure of PF-8, the DNA polymerase accessory subunit from Kaposi's sarcoma-associated herpesvirus.
J.Virol., 83, 2009
3KV0
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BU of 3kv0 by Molmil
Crystal structure of HET-C2: A FUNGAL GLYCOLIPID TRANSFER PROTEIN (GLTP)
分子名称: HET-C2
著者Simanshu, D.K, Kenoth, R, Brown, R.E, Patel, D.J.
登録日2009-11-28
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural determination and tryptophan fluorescence of heterokaryon incompatibility C2 protein (HET-C2), a fungal glycolipid transfer protein (GLTP), provide novel insights into glycolipid specificity and membrane interaction by the GLTP fold.
J.Biol.Chem., 285, 2010
4CC6
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BU of 4cc6 by Molmil
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
分子名称: 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol, DNA LIGASE, SULFATE ION
著者Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A.
登録日2013-10-18
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
4CFW
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BU of 4cfw by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2013-12-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
7EL5
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BU of 7el5 by Molmil
Crystal structure of Sizzled protein from Xenopus Laevis
分子名称: Secreted Xwnt8 inhibitor sizzled
著者Sharma, U, Harlos, K, Hulmes, D.J.S, Aghajari, N.
登録日2021-04-08
公開日2022-09-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dynamics of the secreted frizzled related protein Sizzled and potential implications for binding to bone morphogenetic protein-1 (BMP-1).
Sci Rep, 12, 2022
4CFU
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Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4BZ2
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BU of 4bz2 by Molmil
Structure of dengue virus EDIII in complex with Fab 2D73
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ENVELOPE PROTEIN, ...
著者Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B.
登録日2013-07-23
公開日2014-08-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure of Dengue Virus Ediii in Complex with Fab 2D73
To be Published
4CCA
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Structure of human Munc18-2
分子名称: CHLORIDE ION, SYNTAXIN-BINDING PROTEIN 2
著者Hackmann, Y, Graham, S.C, Ehl, S, Hoening, S, Lehmberg, K, Arico, M, Owen, D.J, Griffiths, G.G.
登録日2013-10-21
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Syntaxin Binding Mechanism and Disease-Causing Mutations in Munc18-2
Proc.Natl.Acad.Sci.USA, 110, 2013
4CFV
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Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4BTX
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BU of 4btx by Molmil
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, CALCIUM ION, ...
著者Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A.
登録日2013-06-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
4BOF
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BU of 4bof by Molmil
Crystal structure of arginine deiminase from group A streptococcus
分子名称: ARGININE DEIMINASE, SULFATE ION, TETRAETHYLENE GLYCOL, ...
著者Henningham, A, Ericsson, D.J, Langer, K, Casey, L, Jovcevski, B, Chhatwal, G.S, Aquilina, J.A, Batzloff, M.R, Kobe, B, Walker, M.J.
登録日2013-05-20
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure-informed design of an enzymatically inactive vaccine component for group A Streptococcus.
MBio, 4, 2013
4CFN
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BU of 4cfn by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, CYCLIN-A2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
3MNQ
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Crystal structure of myosin-2 motor domain in complex with ADP-metavanadate and resveratrol
分子名称: 1,2-ETHANEDIOL, ADP METAVANADATE, MAGNESIUM ION, ...
著者Schneider, J, Taft, M, Backhaus, A, Baruch, P, Fedorov, R, Manstein, D.J.
登録日2010-04-22
公開日2011-04-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of resveratrol regulation of myosin activity.
To be Published
1JAK
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Streptomyces plicatus beta-N-acetylhexosaminidase in Complex with (2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidinium chloride (IFG)
分子名称: (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
著者Mark, B.L, Vocadlo, D.J, Zhao, D, Knapp, S, Withers, S.G, James, M.N.
登録日2001-05-30
公開日2001-11-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical and structural assessment of the 1-N-azasugar GalNAc-isofagomine as a potent family 20 beta-N-acetylhexosaminidase inhibitor.
J.Biol.Chem., 276, 2001
4C1U
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Structure of the xylo-oligosaccharide specific solute binding protein from Bifidobacterium animalis subsp. lactis Bl-04 in complex with arabinoxylobiose
分子名称: PENTAETHYLENE GLYCOL, SUGAR TRANSPORTER SOLUTE-BINDING PROTEIN, alpha-L-arabinofuranose-(1-3)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Fredslund, F, Ejby, M, Vujicic-Zagar, A, Svensson, B, Slotboom, D.J, Abou Hachem, M.
登録日2013-08-13
公開日2013-10-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Arabinoxylo-Oligosaccharide Capture by the Probiotic Bifidobacterium Animalis Subsp. Lactis Bl-04
Mol.Microbiol., 90, 2013

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