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PDB: 1097 件

2A3C
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Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline
分子名称: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase
著者Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
登録日2005-06-24
公開日2005-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
2UY2
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ScCTS1_apo crystal structure
分子名称: ENDOCHITINASE, GLYCEROL
著者Hurtado-Guerrero, R, Van Aalten, D.M.F.
登録日2007-04-02
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2V4D
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Re-refinement of MexA adaptor protein
分子名称: MULTIDRUG RESISTANCE PROTEIN MEXA, SULFATE ION
著者Symmons, M.F, Bokma, E, Koronakis, E, Hughes, C, Koronakis, V.
登録日2008-09-18
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Assembled Structure of a Complete Tripartite Bacterial Multidrug Efflux Pump.
Proc.Natl.Acad.Sci.USA, 106, 2009
4HPX
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Crystal structure of Tryptophan Synthase at 1.65 A resolution in complex with alpha aminoacrylate E(A-A) and benzimidazole in the beta site and the F9 inhibitor in the alpha site
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ...
著者Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2012-10-24
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
4I8Y
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Structure of the unliganded N254Y/H258Y mutant of the phosphatidylinositol-specific phospholipase C from S. aureus
分子名称: 1-phosphatidylinositol phosphodiesterase, ACETATE ION, CHLORIDE ION
著者Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-12-04
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The cation-pi box is a specific phosphatidylcholine membrane targeting motif.
J.Biol.Chem., 288, 2013
2A3E
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Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, SULFATE ION, ...
著者Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
登録日2005-06-24
公開日2005-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
2A75
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Trypanosoma rangeli Sialidase In Complex With 2,3- Difluorosialic Acid (Covalent Intermediate)
分子名称: 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, SULFATE ION, sialidase
著者Amaya, M.F, Alzari, P.M, Buschiazzo, A.
登録日2005-07-04
公開日2005-11-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Kinetic Analysis of Two Covalent Sialosyl-Enzyme Intermediates on Trypanosoma rangeli Sialidase.
J.Biol.Chem., 281, 2006
4I9J
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Structure of the N254Y/H258Y mutant of the phosphatidylinositol-specific phospholipase C from S. aureus bound to diC4PC
分子名称: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, 1-phosphatidylinositol phosphodiesterase, ACETATE ION
著者Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-12-05
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The cation-pi box is a specific phosphatidylcholine membrane targeting motif.
J.Biol.Chem., 288, 2013
2P3V
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Thermotoga maritima IMPase TM1415
分子名称: Inositol-1-monophosphatase, S,R MESO-TARTARIC ACID
著者Stieglitz, K.A, Roberts, M.F, Li, W, Stec, B.
登録日2007-03-09
公開日2007-04-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the tetrameric inositol 1-phosphate phosphatase (TM1415) from the hyperthermophile, Thermotoga maritima.
Febs J., 274, 2007
4HT3
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The crystal structure of Salmonella typhimurium Tryptophan Synthase at 1.30A complexed with N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE (F9) inhibitor in the alpha site, internal aldimine
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2012-10-31
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
2CBI
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Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase
分子名称: CHLORIDE ION, GAMMA-BUTYROLACTONE, GLYCEROL, ...
著者Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F.
登録日2006-01-04
公開日2006-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
2CH9
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Crystal structure of dimeric human cystatin F
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Schuettelkopf, A.W, van Aalten, D.M.F.
登録日2006-03-13
公開日2006-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Reduction-Dependent Activation of Human Cystatin F.
J.Biol.Chem., 281, 2006
2UY4
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ScCTS1_acetazolamide crystal structure
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ENDOCHITINASE
著者Hurtado-Guerrero, R, van Aalten, D.M.F.
登録日2007-04-02
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2UVM
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Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate
分子名称: BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION
著者Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L.
登録日2007-03-12
公開日2007-04-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha.
Acs Chem.Biol., 2, 2007
4EZA
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Crystal structure of the atypical phosphoinositide (aPI) binding domain of IQGAP2
分子名称: Ras GTPase-activating-like protein IQGAP2
著者Van Aalten, D.M.F, Dixon, M.J, Gray, A, Schenning, M, Agacan, M, Leslie, N.R, Downes, C.P, Batty, I.H, Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2012-05-02
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献IQGAP Proteins Reveal an Atypical Phosphoinositide (aPI) Binding Domain with a Pseudo C2 Domain Fold.
J.Biol.Chem., 287, 2012
2UY3
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ScCTS1_8-chlorotheophylline crystal structure
分子名称: 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, ENDOCHITINASE
著者Hurtado-Guerrero, R, Van Aalten, D.M.F.
登録日2007-04-02
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
4F2U
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Structure of the N254Y/H258Y double mutant of the Phosphatidylinositol-Specific Phospholipase C from S.aureus
分子名称: 1-phosphatidylinositol phosphodiesterase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION
著者Cheng, J, Goldstein, R, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-05-08
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Competition between Anion Binding and Dimerization Modulates Staphylococcus aureus Phosphatidylinositol-specific Phospholipase C Enzymatic Activity.
J.Biol.Chem., 287, 2012
4F2T
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Modulation of S.aureus Phosphatidylinositol-Specific Phospholipase C Membrane Binding.
分子名称: 1-phosphatidylinositol phosphodiesterase, ACETATE ION
著者Cheng, J, Goldstein, R, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-05-08
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Competition between Anion Binding and Dimerization Modulates Staphylococcus aureus Phosphatidylinositol-specific Phospholipase C Enzymatic Activity.
J.Biol.Chem., 287, 2012
4F2B
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Modulation of S.Aureus Phosphatidylinositol-Specific Phospholipase C Membrane Binding
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase
著者Cheng, J, Goldstein, R, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-05-07
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Competition between Anion Binding and Dimerization Modulates Staphylococcus aureus Phosphatidylinositol-specific Phospholipase C Enzymatic Activity.
J.Biol.Chem., 287, 2012
2CLE
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Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - lowF6 complex
分子名称: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F.
登録日2006-04-27
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex.
Biochemistry, 46, 2007
2CLK
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Tryptophan Synthase in complex with D-glyceraldehyde 3-phosphate (G3P)
分子名称: GLYCERALDEHYDE-3-PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F.
登録日2006-04-27
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex.
Biochemistry, 46, 2007
4I6E
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A vertebrate cryptochrome
分子名称: Cryptochrome-2
著者Xing, W, Busino, L, Hinds, T.R, Marionni, S.T, Saifee, N.H, Bush, M.F, Pagano, M, Zheng, N.
登録日2012-11-29
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献SCFFBXL3 ubiquitin ligase targets cryptochromes at their cofactor pocket.
Nature, 496, 2013
4I6G
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a vertebrate cryptochrome with FAD
分子名称: Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE
著者Xing, W, Busino, L, Hinds, T.R, Marionni, S.T, Saifee, N.H, Bush, M.F, Pagano, M, Zheng, N.
登録日2012-11-29
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SCFFBXL3 ubiquitin ligase targets cryptochromes at their cofactor pocket.
Nature, 496, 2013
4I90
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Structure of the N254Y/H258Y mutant of the phosphatidylinositol-specific phospholipase C from S. aureus bound to choline
分子名称: 1-phosphatidylinositol phosphodiesterase, ACETATE ION, CHLORIDE ION, ...
著者Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-12-04
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The cation-pi box is a specific phosphatidylcholine membrane targeting motif.
J.Biol.Chem., 288, 2013
4I9M
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Structure of the N254Y/H258Y mutant of the phosphatidylinositol-specific phospholipase C from Staphylococcus aureus bound to HEPES
分子名称: 1-phosphatidylinositol phosphodiesterase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION
著者Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-12-05
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The cation-pi box is a specific phosphatidylcholine membrane targeting motif.
J.Biol.Chem., 288, 2013

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