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STRUCTURE OF RICIN A CHAIN MUTANT
分子名称:	RICIN A CHAIN
著者	Day, P.J, Ernst, S.R, Frankel, A.E, Monzingo, A.F, Pascal, J.M, Svinth, M, Robertus, J.D.
登録日	1996-06-25
公開日	1997-06-16
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Structure and activity of an active site substitution of ricin A chain. Biochemistry, 35, 1996

1OBT

STRUCTURE OF RICIN A CHAIN MUTANT, COMPLEX WITH AMP
分子名称:	ADENOSINE MONOPHOSPHATE, RICIN A CHAIN
著者	Day, P.J, Ernst, S.R, Frankel, A.E, Monzingo, A.F, Pascal, J.M, Svinth, M, Robertus, J.D.
登録日	1996-06-22
公開日	1997-06-16
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Structure and activity of an active site substitution of ricin A chain. Biochemistry, 35, 1996

2W96

Crystal Structure of CDK4 in complex with a D-type cyclin
分子名称:	CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1, GLYCEROL
著者	Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
登録日	2009-01-21
公開日	2009-03-10
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009

2W99

Crystal Structure of CDK4 in complex with a D-type cyclin
分子名称:	CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1
著者	Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
登録日	2009-01-22
公開日	2009-03-10
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009

2W9F

Crystal Structure of CDK4 in complex with a D-type cyclin
分子名称:	CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1
著者	Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
登録日	2009-01-23
公開日	2009-03-10
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (2.85 Å)
主引用文献	Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009

2W9Z

Crystal Structure of CDK4 in complex with a D-type cyclin
分子名称:	CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1
著者	Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
登録日	2009-01-30
公開日	2009-03-10
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (2.45 Å)
主引用文献	Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009

5JAU

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	(2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2019-10-16
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAN

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2019-10-16
実験手法	X-RAY DIFFRACTION (2.12 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAT

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2019-10-16
実験手法	X-RAY DIFFRACTION (2.04 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAR

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2019-10-16
実験手法	X-RAY DIFFRACTION (2.11 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAL

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	(2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2019-10-16
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAS

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2019-10-16
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAD

Compound binding to Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)discovered through fragment screening
分子名称:	CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者	Day, P.J, Woolford, A.J.-A.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2016-12-14
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAH

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	1,5,5-trimethylimidazolidine-2,4-dione, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2019-10-16
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAP

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone, CALCIUM ION, CHLORIDE ION, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2019-10-16
実験手法	X-RAY DIFFRACTION (2.46 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5JAO

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening
分子名称:	2'-chloro-6-methyl[1,1'-biphenyl]-3-amine, CALCIUM ION, CHLORIDE ION, ...
著者	Day, P.J.
登録日	2016-04-12
公開日	2016-05-25
最終更新日	2019-10-16
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016

5LZ5

Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称:	2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者	Woolford, A.J.A, Day, P.J.
登録日	2016-09-29
公開日	2016-12-21
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016

4UMU

Structure of MELK in complex with inhibitors
分子名称:	(2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
著者	Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
登録日	2014-05-21
公開日	2014-10-22
最終更新日	2015-01-28
実験手法	X-RAY DIFFRACTION (2.02 Å)
主引用文献	Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. Acs Med.Chem.Lett., 6, 2015

4UMT

Structure of MELK in complex with inhibitors
分子名称:	1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium, DIMETHYL SULFOXIDE, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
著者	Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
登録日	2014-05-21
公開日	2014-10-22
最終更新日	2015-01-28
実験手法	X-RAY DIFFRACTION (1.98 Å)
主引用文献	Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. Acs Med.Chem.Lett., 6, 2015

4UMQ

Structure of MELK in complex with inhibitors
分子名称:	3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
著者	Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
登録日	2014-05-20
公開日	2014-10-08
最終更新日	2015-01-28
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015

4UMR

Structure of MELK in complex with inhibitors
分子名称:	4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
著者	Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
登録日	2014-05-20
公開日	2014-10-08
最終更新日	2015-01-28
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015

4UMP

Structure of MELK in complex with inhibitors
分子名称:	3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
著者	Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
登録日	2014-05-20
公開日	2014-10-08
最終更新日	2018-04-04
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015

5C7C

Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18
分子名称:	(2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者	Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日	2015-06-24
公開日	2015-08-12
最終更新日	2015-09-09
実験手法	X-RAY DIFFRACTION (2.32 Å)
主引用文献	Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015

5C3H

Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1
分子名称:	4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者	Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日	2015-06-17
公開日	2015-08-12
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.65 Å)
主引用文献	Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015

5C7A

Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7
分子名称:	(2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者	Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日	2015-06-24
公開日	2015-08-12
最終更新日	2015-09-09
実験手法	X-RAY DIFFRACTION (2.36 Å)
主引用文献	Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015

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