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1EDO
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THE X-RAY STRUCTURE OF BETA-KETO ACYL CARRIER PROTEIN REDUCTASE FROM BRASSICA NAPUS COMPLEXED WITH NADP+
分子名称: BETA-KETO ACYL CARRIER PROTEIN REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Fisher, M, Kroon, J.T, Martindale, W, Stuitje, A.R, Slabas, A.R, Rafferty, J.B.
登録日2000-01-28
公開日2001-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The X-ray structure of Brassica napus beta-keto acyl carrier protein reductase and its implications for substrate binding and catalysis.
Structure Fold.Des., 8, 2000
2YM4
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
著者Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
登録日2011-06-06
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM6
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
登録日2011-06-06
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM7
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
登録日2011-06-06
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM5
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
登録日2011-06-06
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM3
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
登録日2011-06-06
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.007 Å)
主引用文献Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM8
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: (R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
登録日2011-06-06
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2XF0
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I.
登録日2010-05-19
公開日2010-06-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2XEY
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I.
登録日2010-05-19
公開日2010-06-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2XEZ
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1,2-ETHANEDIOL, 6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, vanMontfort, R, Garrett, M.D, Reader, J.C, Collins, I.
登録日2010-05-19
公開日2010-07-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2B5V
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Crystal structure of glucose dehydrogenase from Haloferax mediterranei
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, glucose dehydrogenase
著者Britton, K.L, Baker, P.J, Fisher, M, Ruzheinikov, S, Gilmour, D.J, Bonete, M.-J, Ferrer, J, Pire, C, Esclapez, J, Rice, D.W.
登録日2005-09-29
公開日2006-04-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of protein solvent interactions in glucose dehydrogenase from the extreme halophile Haloferax mediterranei.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2B5W
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Crystal structure of D38C glucose dehydrogenase mutant from Haloferax mediterranei
分子名称: CITRATE ANION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
著者Britton, K.L, Baker, P.J, Fisher, M, Ruzheinikov, S, Gilmour, D.J, Bonete, M.-J, Ferrer, J, Pire, C, Esclapez, J, Rice, D.W.
登録日2005-09-29
公開日2006-04-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Analysis of protein solvent interactions in glucose dehydrogenase from the extreme halophile Haloferax mediterranei.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1R42
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Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ...
著者Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W.
登録日2003-10-07
公開日2004-02-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
1R4L
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Inhibitor Bound Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)
分子名称: (S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W.
登録日2003-10-07
公開日2004-02-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
2WMR
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMW
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMT
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMV
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.009 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMS
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMX
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMQ
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMU
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 6-MORPHOLIN-4-YL-9H-PURINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
1TX9
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gpd prior to capsid assembly
分子名称: Scaffolding protein D
著者Morais, M.C, Fisher, M, Kanamaru, K, Fane, B.A, Rossmann, M.G.
登録日2004-06-24
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Conformational switching by the scaffolding protein D directs the assembly of bacteriophage phiX174
Mol.Cell, 15, 2004
2VWP
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Haloferax mediterranei glucose dehydrogenase in complex with NADPH and Zn.
分子名称: GLUCOSE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION
著者Baker, P.J, Britton, K.L, Fisher, M, Esclapez, J, Pire, C, Bonete, M.J, Ferrer, J, Rice, D.W.
登録日2008-06-26
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Active site dynamics in the zinc-dependent medium chain alcohol dehydrogenase superfamily.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
2VWH
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Haloferax mediterranei glucose dehydrogenase in complex with NADP, Zn and glucose.
分子名称: GLUCOSE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, ...
著者Baker, P.J, Britton, K.L, Fisher, M, Esclapez, J, Pire, C, Bonete, M.J, Ferrer, J, Rice, D.W.
登録日2008-06-24
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Active site dynamics in the zinc-dependent medium chain alcohol dehydrogenase superfamily.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009

 

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