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2RB5
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X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
分子名称: MAGNESIUM ION, Putative uncharacterized protein, trioxido(oxo)tungsten
著者Lu, Z, Dunaway-Mariano, D, Allen, K.N.
登録日2007-09-18
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2RAV
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BU of 2rav by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
分子名称: MAGNESIUM ION, Putative uncharacterized protein, trioxido(oxo)tungsten
著者Lu, Z, Dunaway-Mariano, D, Allen, K.N.
登録日2007-09-17
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2P3X
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BU of 2p3x by Molmil
Crystal structure of Grenache (Vitis vinifera) Polyphenol Oxidase
分子名称: CU-O-CU LINKAGE, Polyphenol oxidase, chloroplast
著者Reyes Grajeda, J.P, Virador, V.M, Blanco-Labra, A, Mendiola-Olaya, E, Smith, G.M, Moreno, A, Whitaker, J.R.
登録日2007-03-09
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cloning, sequencing, purification, and crystal structure of Grenache (Vitis vinifera) polyphenol oxidase.
J.Agric.Food Chem., 58, 2010
2C2T
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BU of 2c2t by Molmil
Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate
分子名称: (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ...
著者leung, A.K.W, reynolds, R.C, riordan, J.M, borhani, D.W.
登録日2005-09-30
公開日2007-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.
J.Med.Chem., 50, 2007
5UXY
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BU of 5uxy by Molmil
The crystal structure of a DegV family protein from Eubacterium eligens loaded with heptadecanoic acid to 1.80 Angstrom resolution (ALTERNATIVE REFINEMENT OF PDB 3FDJ with HEPTADECANOIC acid)
分子名称: ACETIC ACID, DegV family protein, SODIUM ION, ...
著者Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O.
登録日2017-02-23
公開日2018-11-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
2C2S
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BU of 2c2s by Molmil
Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine, A novel boron containing, nonclassical Antifolate
分子名称: 2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ...
著者Leung, A.K.W, Reynolds, R.C, Riordan, J.M, Borhani, D.W.
登録日2005-09-29
公開日2007-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.
J.Med.Chem., 50, 2007
2RBK
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BU of 2rbk by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
分子名称: MAGNESIUM ION, Putative uncharacterized protein, oxido(dioxo)vanadium
著者Lu, Z, Dunaway-Mariano, D, Allen, K.N.
登録日2007-09-19
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2B5P
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BU of 2b5p by Molmil
Solution structure of ribbon isoform of CMrVIA lambda conotoxin
分子名称: Lambda-conotoxin CMrVIA
著者Kang, T.S, Jois, S.D.S, Kini, R.M.
登録日2005-09-29
公開日2006-08-29
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution Structures of Two Structural Isoforms of CMrVIA chi/lambda-Conotoxin
Biomacromolecules, 7, 2006
5V85
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BU of 5v85 by Molmil
The crystal structure of the protein of DegV family COG1307 from Ruminococcus gnavus ATCC 29149 (alternative refinement of PDB 3JR7 with Vaccenic acid)
分子名称: EDD domain protein, DegV family, PHOSPHATE ION, ...
著者Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O.
登録日2017-03-21
公開日2018-11-21
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
4FKD
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BU of 4fkd by Molmil
Identification of the Activator Binding Residues in the Second Cysteine-Rich Regulatory Domain of Protein Kinase C Theta
分子名称: Protein kinase C theta type, ZINC ION
著者Rahman, G.M, Shanker, S, Lewin, N.E, Prasad, B.V.V, Blumberg, P.M, Das, J.
登録日2012-06-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.633 Å)
主引用文献Identification of the Activator Binding Residues in the Second Cysteine-Rich Regulatory Domain of Protein Kinase C Theta.
Biochem.J., 451, 2013
4I8N
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BU of 4i8n by Molmil
CRYSTAL STRUCTURE of PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN INHIBITOR [(4-{(2S)-2-(1,3-BENZOXAZOL-2-YL)-2-[(4-FLUOROPHENYL)SULFAMOYL]ETHYL}PHENYL)AMINO](OXO)ACETIC ACID
分子名称: Tyrosine-protein phosphatase non-receptor type 1, [(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid
著者Reddy, S.M.V.V.V, Rao, K.N, Subramanya, H.
登録日2012-12-03
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-Ray Structure of PTP1B in Complex with a New PTP1B Inhibitor.
Protein Pept.Lett., 21, 2014
2PD5
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BU of 2pd5 by Molmil
Human aldose reductase mutant V47I complexed with zopolrestat
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDC
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BU of 2pdc by Molmil
Human aldose reductase mutant F121P complexed with IDD393.
分子名称: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDK
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BU of 2pdk by Molmil
Human aldose reductase mutant L301M complexed with sorbinil.
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SORBINIL
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDG
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BU of 2pdg by Molmil
Human aldose reductase with uracil-type inhibitor at 1.42A.
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDJ
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BU of 2pdj by Molmil
Human aldose reductase mutant L300A complexed with IDD393.
分子名称: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDW
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BU of 2pdw by Molmil
Human aldose reductase mutant C303D complexed with fidarestat.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDN
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BU of 2pdn by Molmil
Human aldose reductase mutant S302R complexed with uracil-type inhibitor.
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDH
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BU of 2pdh by Molmil
Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A.
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDU
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BU of 2pdu by Molmil
Human aldose reductase mutant C303D complexed with IDD393.
分子名称: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PD9
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BU of 2pd9 by Molmil
Human aldose reductase mutant V47I complexed with fidarestat.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDF
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BU of 2pdf by Molmil
Human aldose reductase mutant L300P complexed with zopolrestat.
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDI
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BU of 2pdi by Molmil
Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A.
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDY
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BU of 2pdy by Molmil
Human aldose reductase double mutant S302R-C303D complexed with fidarestat.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDX
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BU of 2pdx by Molmil
Human aldose reductase double mutant S302R-C303D complexed with zopolrestat.
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008

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