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3QQW
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Crystal structure of a putative lyase (Reut_B4148) from Ralstonia eutropha JMP134 at 2.44 A resolution
分子名称: CHLORIDE ION, Putative citrate lyase
著者Joint Center for Structural Genomics (JCSG)
登録日2011-02-16
公開日2011-03-02
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of a Hypothetical lyase (Reut_B4148) from Ralstonia eutropha JMP134 at 2.44 A resolution
To be published
3QSC
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BU of 3qsc by Molmil
The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a copper complex)
分子名称: 5'-D(*AP*GP*GP*GP*TP*(BRU)P*AP*GP*GP*GP*TP*T)-3', POTASSIUM ION, [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper (II)
著者Campbell, N.H, Abd Karim, N.H, Parkinson, G.N, Vilar, R, Neidle, S.
登録日2011-02-21
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes.
J.Med.Chem., 55, 2012
3HHU
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BU of 3hhu by Molmil
Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819}
分子名称: Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate
著者Adler, M, Whitlow, M.
登録日2009-05-17
公開日2009-07-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Potent triazolothione inhibitor of heat-shock protein-90.
Chem.Biol.Drug Des., 74, 2009
3HLC
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BU of 3hlc by Molmil
Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded
分子名称: GLYCEROL, TETRAETHYLENE GLYCOL, Transesterase
著者Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLD
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BU of 3hld by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid
分子名称: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, FORMIC ACID, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3QVO
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BU of 3qvo by Molmil
Structure of a Rossmann-fold NAD(P)-binding family protein from Shigella flexneri.
分子名称: 5-MERCAPTO-2-NITRO-BENZOIC ACID, NmrA family protein
著者Cuff, M.E, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-25
公開日2011-06-01
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a Rossmann-fold NAD(P)-binding family protein from Shigella flexneri.
TO BE PUBLISHED
3HLG
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BU of 3hlg by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with lovastatin
分子名称: (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLE
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BU of 3hle by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with monacolin J acid
分子名称: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLF
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BU of 3hlf by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with simvastatin
分子名称: Simvastatin acid, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3QVZ
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BU of 3qvz by Molmil
Crystal structure of the Zn-RIDC1 complex stabilized by BMOE crosslinks cocrystallized in the presence of Cu(II)
分子名称: 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), COPPER (II) ION, Cytochrome cb562, ...
著者Salgado, E.N, Tezcan, F.A.
登録日2011-02-26
公開日2011-06-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Templated construction of a zn-selective protein dimerization motif.
Inorg.Chem., 50, 2011
3HLJ
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BU of 3hlj by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide
分子名称: 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide, Carbonic anhydrase 2, SODIUM ION, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2009-05-27
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides
J Enzyme Inhib Med Chem, 25, 2010
3QWN
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BU of 3qwn by Molmil
Crystal structure of a NigD-like immunity protein (BACCAC_03262) from Bacteroides caccae ATCC 43185 at 2.42 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Hypothetical nigD-like protein
著者Joint Center for Structural Genomics (JCSG)
登録日2011-02-28
公開日2011-03-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of a Hypothetical nigD-like protein (BACCAC_03262) from Bacteroides caccae at 2.42 A resolution
To be published
3HL9
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BU of 3hl9 by Molmil
Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded
分子名称: Transesterase
著者Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HDE
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BU of 3hde by Molmil
Crystal structure of full-length endolysin R21 from phage 21
分子名称: Lysozyme
著者Sun, Q, Arockiasamy, A, McKee, E, Caronna, E, Sacchettini, J.C.
登録日2009-05-07
公開日2009-11-03
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Regulation of a muralytic enzyme by dynamic membrane topology.
Nat.Struct.Mol.Biol., 16, 2009
3HLB
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BU of 3hlb by Molmil
Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative
分子名称: SULFATE ION, Transesterase
著者Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HDU
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BU of 3hdu by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE THIOESTERASE (SYN_01977) FROM SYNTROPHUS ACIDITROPHICUS SB AT 2.50 A RESOLUTION
分子名称: putative thioesterase
著者Joint Center for Structural Genomics (JCSG)
登録日2009-05-07
公開日2009-06-02
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of putative thioesterase (YP_461911.1) from SYNTROPHUS ACIDITROPHICUS SB at 2.50 A resolution
To be published
3OQJ
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BU of 3oqj by Molmil
Crystal structure of B. licheniformis CDPS yvmC-BLIC in complex with CAPSO
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, Putative uncharacterized protein yvmC
著者Bonnefond, L, Arai, T, Suzuki, T, Ishitani, R, Nureki, O.
登録日2010-09-03
公開日2011-02-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structural basis for nonribosomal peptide synthesis by an aminoacyl-tRNA synthetase paralog.
Proc.Natl.Acad.Sci.USA, 108, 2011
3OQS
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BU of 3oqs by Molmil
Crystal structure of importin-alpha bound to a CLIC4 NLS peptide
分子名称: Importin subunit alpha-2, peptide of Chloride intracellular channel protein 4
著者Mynott, A.V, Brown, L.J, Harrop, S.J, Curmi, P.M.G.
登録日2010-09-03
公開日2011-07-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of importin-alpha bound to a peptide bearing the nuclear localisation signal from chloride intracellular channel protein 4
Febs J., 278, 2011
3OTH
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BU of 3oth by Molmil
Crystal Structure of CalG1, Calicheamicin Glycostyltransferase, TDP and calicheamicin alpha3I bound form
分子名称: CalG1, Calicheamicin alpha3I, THYMIDINE-5'-DIPHOSPHATE
著者Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2010-09-11
公開日2010-12-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HER
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BU of 3her by Molmil
Human prion protein variant F198S with V129
分子名称: CADMIUM ION, Major prion protein
著者Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C.
登録日2009-05-10
公開日2010-01-12
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
3HLH
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BU of 3hlh by Molmil
Diisopropyl fluorophosphatase (DFPase), active site mutants
分子名称: CALCIUM ION, Diisopropyl-fluorophosphatase
著者Chen, J.C.-H, Blum, M.-M.
登録日2009-05-27
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reversed enantioselectivity of diisopropyl fluorophosphatase against organophosphorus nerve agents by rational design
J.Am.Chem.Soc., 131, 2009
3HF5
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BU of 3hf5 by Molmil
Crystal structure of 4-methylmuconolactone methylisomerase in complex with 3-methylmuconolactone
分子名称: 4-methylmuconolactone methylisomerase, [(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
著者Marin, M, Heinz, D.W, Pieper, D.H, Klink, B.U.
登録日2009-05-11
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure and catalytic mechanism of 4-methylmuconolactone methylisomerase
J.Biol.Chem., 284, 2009
3OV3
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G211F mutant of curcumin synthase 1 from Curcuma longa
分子名称: Curcumin synthase, MALONATE ION
著者Katsuyama, Y, Miyazono, K, Tanokura, M, Ohnishi, Y, Horinouchi, S.
登録日2010-09-15
公開日2010-12-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A hydrophobic cavity discovered in a curcumin synthase facilitates utilization of a beta-keto acid as an extender substrate for the atypical type III polyleteide synthase
To be Published
3HLP
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Carboxypeptidase A liganded to an organic small-molecule: conformational changes
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Carboxypeptidase A1 (Pancreatic), ...
著者Fernandez, D.
登録日2009-05-28
公開日2010-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Carboxypeptidase A liganded to an organic small-molecule: conformational
To be Published
3HFK
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Crystal structure of 4-methylmuconolactone methylisomerase (H52A) in complex with 4-methylmuconolactone
分子名称: 4-methylmuconolactone methylisomerase, [(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
著者Marin, M, Heinz, D.W, Pieper, D.H, Klink, B.U.
登録日2009-05-12
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and catalytic mechanism of 4-methylmuconolactone methylisomerase
J.Biol.Chem., 284, 2009

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