2XFJ
 
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | | 分子名称: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | 著者 | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | 登録日 | 2010-05-24 | | 公開日 | 2010-07-07 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
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2XFI
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide | | 分子名称: | BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE | | 著者 | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | 登録日 | 2010-05-24 | | 公開日 | 2010-07-07 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
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2C1W
 | | The structure of XendoU: a splicing independent snoRNA processing endoribonuclease | | 分子名称: | ENDOU PROTEIN, PHOSPHATE ION | | 著者 | Renzi, F, Caffarelli, E, Laneve, P, Bozzoni, I, Brunori, M, Vallone, B. | | 登録日 | 2005-09-21 | | 公開日 | 2006-07-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Structure of the Endoribonuclease Xendou: From Small Nucleolar RNA Processing to Severe Acute Respiratory Syndrome Coronavirus Replication.
Proc.Natl.Acad.Sci.USA, 103, 2006
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4XQD
 | | X-ray structure analysis of xylanase-WT at pH4.0 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION | | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | 登録日 | 2015-01-19 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6HB4
 | | TFAM in Complex with Site-Y | | 分子名称: | DNA (5'*CP*TP*GP*TP*GP*CP*AP*GP*AP*CP*AP*TP*TP*CP*AP*AP*TP*TP*GP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*CP*AP*AP*TP*TP*GP*AP*AP*TP*GP*TP*CP*TP*GP*CP*AP*CP*AP*G)-3'), GLYCEROL, ... | | 著者 | Cuppari, A, Fernandez-Millan, P, Rubio-Cosials, A, Tarres-Sole, A, Lyonnais, S, Sola, M. | | 登録日 | 2018-08-09 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | DNA specificities modulate the binding of human transcription factor A to mitochondrial DNA control region.
Nucleic Acids Res., 47, 2019
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5FN0
 | | Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with GSK180 | | 分子名称: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, KYNURENINE 3-MONOOXYGENASE | | 著者 | Mole, D.J, Webster, S.P, Uings, I, Zheng, X, Binnie, M, Wilson, K, Hutchinson, J.P, Mirguet, O, Walker, A, Beaufils, B, Ancellin, N, Trottet, L, Beneton, V, Mowat, C.G, Wilkinson, M, Rowland, P, Haslam, C, McBride, A, Homer, N.Z.M, Baily, J.E, Sharp, M.G.F, Garden, O.J, Hughes, J, Howie, S.E.M, Holmes, D, Liddle, J, Iredale, J.P. | | 登録日 | 2015-11-10 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Kynurenine-3-Monooxygenase Inhibition Prevents Multiple Organ Failure in Rodent Models of Acute Pancreatitis.
Nat.Med. (N.Y.), 22, 2016
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2GVE
 | | Time-of-Flight Neutron Diffraction Structure of D-Xylose Isomerase | | 分子名称: | COBALT (II) ION, Xylose isomerase | | 著者 | Katz, A.K, Li, X, Carrell, H.L, Hanson, B.L, Langan, P, Coates, L, Schoenborn, B.P, Glusker, J.P, Bunick, G.J. | | 登録日 | 2006-05-02 | | 公開日 | 2006-05-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | NEUTRON DIFFRACTION (2.2 Å) | | 主引用文献 | Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3KGG
 | | X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction | | 分子名称: | CALCIUM ION, Diisopropyl-fluorophosphatase | | 著者 | Blum, M.-M, Tomanicek, S.J, John, H, Hanson, B.L, terjans, H.R, Schoenborn, B.P, Langan, P, Chen, J.C.-H. | | 登録日 | 2009-10-29 | | 公開日 | 2010-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.
Acta Crystallogr.,Sect.F, 66, 2010
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3NON
 | | Crystal Structure of Isocyanide Hydratase from Pseudomonas fluorescens | | 分子名称: | 1,2-ETHANEDIOL, Isocyanide hydratase | | 著者 | Lakshminarasimhan, M, Madzelan, P, Nan, R, Milkovic, N.M, Wilson, M.A. | | 登録日 | 2010-06-25 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Evolution of New Enzymatic Function by Structural Modulation of Cysteine Reactivity in Pseudomonas fluorescens Isocyanide Hydratase.
J.Biol.Chem., 285, 2010
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2JAI
 | | DDAH1 complexed with citrulline | | 分子名称: | CITRULLINE, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | | 著者 | Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q. | | 登録日 | 2006-11-29 | | 公開日 | 2007-02-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
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3X2W
 | | Michaelis complex of cAMP-dependent Protein Kinase Catalytic Subunit | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | | 著者 | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | | 登録日 | 2015-01-02 | | 公開日 | 2015-12-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
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3NOV
 | | Crystal Structure of D17E Isocyanide Hydratase from Pseudomonas fluorescens | | 分子名称: | ACETATE ION, ThiJ/PfpI family protein | | 著者 | Lakshminarasimhan, M, Madzelan, P, Nan, R, Milkovic, N.M, Wilson, M.A. | | 登録日 | 2010-06-25 | | 公開日 | 2010-07-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Evolution of New Enzymatic Function by Structural Modulation of Cysteine Reactivity in Pseudomonas fluorescens Isocyanide Hydratase.
J.Biol.Chem., 285, 2010
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3NPZ
 | | Prolactin Receptor (PRLR) Complexed with the Natural Hormone (PRL) | | 分子名称: | Prolactin, Prolactin receptor | | 著者 | Van Agthoven, J, England, P, Goffin, V, Broutin, I. | | 登録日 | 2010-06-29 | | 公開日 | 2010-10-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Structural characterization of the stem-stem dimerization interface between prolactin receptor chains complexed with the natural hormone.
J.Mol.Biol., 404, 2010
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1QY7
 | | The structure of the PII protein from the cyanobacteria Synechococcus sp. PCC 7942 | | 分子名称: | NICKEL (II) ION, Nitrogen regulatory protein P-II, SULFATE ION | | 著者 | Xu, Y, Carr, P.D, Clancy, P, Garcia-Dominguez, M, Forchhammer, K, Florencio, F, Tandeau de Marsac, N, Vasudevan, S.G, Ollis, D.L. | | 登録日 | 2003-09-09 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The structures of the PII proteins from the cyanobacteria Synechococcus sp. PCC 7942 and Synechocystis sp. PCC 6803.
Acta Crystallogr.,Sect.D, 59, 2003
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6Q74
 | | PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sulfonamide | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide | | 著者 | Convery, M.A, Rowland, P, Down, K, Barton, N. | | 登録日 | 2018-12-12 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
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6Q6Y
 | | PI3K delta in complex with N(2chloro5phenylpyridin3yl)benzenesulfonamide | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide | | 著者 | Convery, M.A, Rowland, P, Down, K, Barton, N. | | 登録日 | 2018-12-12 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
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6ZAC
 | | PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methanesulfonamide | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide | | 著者 | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | 登録日 | 2020-06-05 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
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6Q73
 | | PI3K delta in complex with N[2chloro5(3,6dihydro2Hpyran4yl)pyridin3yl]methanesulfonamide | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide | | 著者 | Convery, M.A, Rowland, P, Down, K, Barton, N. | | 登録日 | 2018-12-12 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
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6ZAD
 | | PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione | | 著者 | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | 登録日 | 2020-06-05 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
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4K02
 | | Crystal structure of AtDHNAT1, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Arabidopsis thaliana | | 分子名称: | 1,4-dihydroxy-2-naphthoyl-CoA thioesterase | | 著者 | Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A. | | 登録日 | 2013-04-03 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis.
Acta Crystallogr.,Sect.D, 69, 2013
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4JEC
 | | Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir | | 分子名称: | CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | 著者 | Kovalevsky, A.Y, Weber, I.T, Langan, P. | | 登録日 | 2013-02-26 | | 公開日 | 2013-07-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION | | 主引用文献 | Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design.
J.Med.Chem., 56, 2013
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5LXL
 | | NMR structure of the N-terminal domain of the Bacteriophage T5 decoration protein pb10 | | 分子名称: | Decoration protein | | 著者 | Vernhes, E, Gilquin, B, Cuniasse, P, Boulanger, P, Zinn-Justin, S. | | 登録日 | 2016-09-22 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid.
Sci Rep, 7, 2017
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4JMQ
 | | Crystal structure of pb9: The Dit of bacteriophage T5. | | 分子名称: | Bacteriophage T5 distal tail protein | | 著者 | Flayhan, A, Vellieux, F.M.D, Girard, E, Maury, O, Boulanger, P, Breyton, C. | | 登録日 | 2013-03-14 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.895 Å) | | 主引用文献 | Crystal Structure of pb9, the Distal Tail Protein of Bacteriophage T5: a Conserved Structural Motif among All Siphophages.
J.Virol., 88, 2014
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4K00
 | | Crystal structure of Slr0204, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Synechocystis | | 分子名称: | 1,2-ETHANEDIOL, 1,4-dihydroxy-2-naphthoyl-CoA hydrolase | | 著者 | Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A. | | 登録日 | 2013-04-03 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis.
Acta Crystallogr.,Sect.D, 69, 2013
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6ZAA
 | | PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide | | 分子名称: | 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | 登録日 | 2020-06-05 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
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