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3Q4D
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BU of 3q4d by Molmil
Crystal structure of dipeptide epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Ala
分子名称: ALANINE, D-ALANINE, MAGNESIUM ION, ...
著者Lukk, T, Gerlt, J.A, Nair, S.K.
登録日2010-12-23
公開日2011-02-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
2Q6C
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BU of 2q6c by Molmil
Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors
分子名称: (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
著者Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
登録日2007-06-04
公開日2007-07-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2Q6J
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BU of 2q6j by Molmil
Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand
分子名称: 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide
著者Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A.
登録日2007-06-05
公開日2007-06-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands
Chem.Biol., 14, 2007
3PND
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BU of 3pnd by Molmil
FAD binding by ApbE protein from Salmonella enterica: a new class of FAD binding proteins
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Thiamine biosynthesis lipoprotein ApbE
著者Boyd, J.M, Endrizzi, J.A, Hamilton, T.L, Christopherson, M.R, Mulder, D.W, Downs, D.M, Peters, J.W.
登録日2010-11-18
公開日2011-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献FAD binding by ApbE protein from Salmonella enterica: a new class of FAD-binding proteins.
J.Bacteriol., 193, 2011
2PP0
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BU of 2pp0 by Molmil
Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2
分子名称: GLYCEROL, L-talarate/Galactarate Dehydratase
著者Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C.
登録日2007-04-27
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2.
Biochemistry, 46, 2007
3MZN
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BU of 3mzn by Molmil
Crystal structure of probable glucarate dehydratase from chromohalobacter salexigens dsm 3043
分子名称: ACETATE ION, GLYCEROL, Glucarate dehydratase, ...
著者Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Gerlt, J.A, Almo, S.C, Burley, S.K, New York Structural GenomiX Research Consortium (NYSGXRC), New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-05-12
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Glucarate Dehydratase from Chromohalobacter Salexigens
To be Published
3MXP
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BU of 3mxp by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T62A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A.
登録日2010-05-07
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
3MZ5
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BU of 3mz5 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L103A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A.
登録日2010-05-11
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
2Q87
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BU of 2q87 by Molmil
The Crystal Structure of the Human IRp60 Ectodomain
分子名称: CMRF35-H antigen
著者Dimasi, N, Marquez, J.A.
登録日2007-06-09
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of IRp60 Ectodomain
To be Published, 2007
2Q6B
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BU of 2q6b by Molmil
Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors
分子名称: (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
著者Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
登録日2007-06-04
公開日2007-07-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2OIF
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BU of 2oif by Molmil
The crystal structure of ferric cyanide bound barley hexacoordinate hemoglobin.
分子名称: CYANIDE ION, Non-legume hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hoy, J.A.
登録日2007-01-10
公開日2007-07-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Plant hemoglobins: a molecular fossil record for the evolution of oxygen transport
J.Mol.Biol., 371, 2007
3PT8
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BU of 3pt8 by Molmil
Structure of HbII-III-CN from Lucina pectinata at pH 5.0
分子名称: CYANIDE ION, FORMIC ACID, GLYCEROL, ...
著者Gavira, J.A, Ruiz-Martinez, C.R, Nieves-Marrero, C.A, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M.
登録日2010-12-02
公開日2011-12-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献New Crystallographic Structure of HbII-III-Oxy and CN forms from Lucina pectinata.
To be Published
3NFU
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BU of 3nfu by Molmil
Crystal structure of probable glucarate dehydratase from chromohalobacter salexigens dsm 3043 complexed with magnesium
分子名称: GLYCEROL, Glucarate dehydratase, MAGNESIUM ION, ...
著者Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Gerlt, J.A, Almo, S.C, Burley, S.K, New York Structural GenomiX Research Consortium (NYSGXRC), New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-06-10
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal Structure of Glucarate Dehydratase from Chromohalobacter Salexigens
To be Published
3NDF
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BU of 3ndf by Molmil
Cleaved antitrypsin with P8-P6 Asp
分子名称: Alpha-1-antitrypsin
著者Huntington, J.A, Sendall, T.J, Yamasaki, M.
登録日2010-06-07
公開日2010-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Loop-sheet mechanism of serpin polymerization tested by reactive center loop mutations
J. Biol. Chem., 285, 2010
2PP1
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BU of 2pp1 by Molmil
Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 liganded with Mg and L-lyxarohydroxamate
分子名称: (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID, L-talarate/galactarate dehydratase, MAGNESIUM ION
著者Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C.
登録日2007-04-27
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2.
Biochemistry, 46, 2007
3NK9
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BU of 3nk9 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V74A at cryogenic temperature
分子名称: CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A.
登録日2010-06-18
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
2PUR
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BU of 2pur by Molmil
Structure of dihydrodipicolinate synthase mutant Thr44Ser at 1.7 A.
分子名称: Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ...
著者Dobson, R.C.J, Jameson, G.B, Gerrard, J.A.
登録日2007-05-09
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Specificity versus catalytic potency: The role of threonine 44 in Escherichia coli dihydrodipicolinate synthase mediated catalysis.
Biochimie, 91, 2009
2QL6
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BU of 2ql6 by Molmil
human nicotinamide riboside kinase (NRK1)
分子名称: (1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL, ADENOSINE-5'-DIPHOSPHATE, nicotinamide riboside kinase 1
著者Khan, J.A, Xiang, S, Tong, L.
登録日2007-07-12
公開日2007-10-02
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human nicotinamide riboside kinase
Structure, 15, 2007
2QT2
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BU of 2qt2 by Molmil
Cyclized-Dehydrated Intermediate of GFP Variant Q183E in Chromophore Maturation
分子名称: 1,2-ETHANEDIOL, Green fluorescent protein
著者Wood, T.I, Barondeau, D.P, Hitomi, C, Tainer, J.A, Getzoff, E.D.
登録日2007-07-31
公開日2009-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Kinetically Isolated Reaction Intermediates Provide Structural Characterization of the Green Fluorescence Protein Fluorophore Biosynthesis Pathway
To be Published
2QX9
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BU of 2qx9 by Molmil
Crystal Structure of Quinone Reductase II
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D.
登録日2007-08-10
公開日2008-09-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2.
Biochem.J., 413, 2008
2QZ3
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BU of 2qz3 by Molmil
Crystal structure of a glycoside hydrolase family 11 xylanase from Bacillus subtilis in complex with xylotetraose
分子名称: ACETIC ACID, Endo-1,4-beta-xylanase A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Vandermarliere, E, Bourgois, T.M, Strelkov, S.V, Delcour, J.A, Courtin, C.M, Rabijns, A.
登録日2007-08-16
公開日2007-12-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis shows substrate binding at the -3 to +1 active-site subsites and at the surface of glycoside hydrolase family 11 endo-1,4-beta-xylanases.
Biochem.J., 410, 2008
2QQA
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BU of 2qqa by Molmil
Crystal Structure of DtxR(E9A C102D) Complexed with Nickel(II)
分子名称: Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION
著者D'Aquino, J.A, Lattimer, J.R, Denninger, A, D'Aquino, K.E, Ringe, D.
登録日2007-07-26
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Role of the N-Terminal Helix in the Metal Ion-Induced Activation of the Diphtheria Toxin Repressor DtxR.
Biochemistry, 46, 2007
3P1H
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BU of 3p1h by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/I92A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, thermonuclease
著者Clark, I.A, Caro, J.A, Sue, G, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A.
登録日2010-09-30
公開日2011-10-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Pressure unfolding effects of artificial cavities in proteins.
To be Published
2QUX
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BU of 2qux by Molmil
PP7 coat protein dimer in complex with RNA hairpin
分子名称: Coat protein, GLYCEROL, RNA (25-MER)
著者Chao, J.A.
登録日2007-08-06
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural basis for the coevolution of a viral RNA-protein complex.
Nat.Struct.Mol.Biol., 15, 2008
3PQZ
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BU of 3pqz by Molmil
Grb7 SH2 with peptide
分子名称: Growth factor receptor-bound protein 7, cyclic peptide
著者Wilce, J.A.
登録日2010-11-29
公開日2011-07-20
最終更新日2011-09-21
実験手法X-RAY DIFFRACTION (2.413 Å)
主引用文献Structural basis of binding by cyclic nonphosphorylated Peptide antagonists of grb7 implicated in breast cancer progression
J.Mol.Biol., 412, 2011

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