Identification of a key element for hydrogen-bonding patterns between protein kinases and their inhibitors

被引：10

作者：

Katayama, Naoko ^{[1
]}

Orita, Masaya ^{[1
]}

Yamaguchi, Tomohiko ^{[1
]}

Hisamichi, Hiroyuki ^{[1
]}

Kuromitsu, Sadao ^{[1
]}

Kurihara, Hiroyuki ^{[1
]}

Sakashita, Hitoshi ^{[1
]}

Matsumoto, Yuzo ^{[1
]}

Fujita, Shigeo ^{[1
]}

Niimi, Tatsuya ^{[1
]}

机构：

[1] Astellas Pharma Inc, Drug Discovery Res, Tsukuba, Ibaraki 3058585, Japan

来源：

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS | 2008年 / 73卷 / 04期

关键词：

binding mode; sequence alignment; Ramachandran; plot; PDB; ERK2; IRK; drug design; hydrogen bond;

D O I：

10.1002/prot.22207

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

In this article, we report crystal structures for inhibitor-kinase complexes in which the inhibitor has different binding orientations and hydrogen-bonding patterns with extracellular-signal regulated kinase 2 and insulin receptor tyrosine kinase. Our crystallographic studies, and sequence and structural analyses of 532 coordinates of kinases held in the Protein Data Bank, suggest that the length of the "specificity linker" described here is a key structural element of the hydrogen-bonding patterns between protein kinases and their inhibitors.

引用

页码：795 / 801

页数：7

共 16 条

[1] A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase [J].

Atwell, S ;

Adams, JM ;

Badger, J ;

Buchanan, MD ;

Feil, IK ;

Froning, KJ ;

Gao, X ;

Hendle, J ;

Keegan, K ;

Leon, BC ;

Müller-Dieckmann, HJ ;

Nienaber, VL ;

Noland, BW ;

Post, K ;

Rajashankar, KR ;

Ramos, A ;

Russell, M ;

Burley, SK ;

Buchanan, SG .

JOURNAL OF BIOLOGICAL CHEMISTRY, 2004, 279 (53) :55827-55832

[2] Recent kinase and kinase inhibitor X-ray structures: Mechanisms of inhibition and selectivity insights [J].

Cherry, M ;

Williams, DH .

CURRENT MEDICINAL CHEMISTRY, 2004, 11 (06) :663-673

[3] Structural basis for p38α MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity [J].

Fitzgerald, CE ;

Patel, SB ;

Becker, JW ;

Cameron, PM ;

Zaller, D ;

Pikounis, VB ;

O'Keefe, SJ ;

Scapin, G .

NATURE STRUCTURAL BIOLOGY, 2003, 10 (09) :764-769

[4] THE PROTEIN-KINASE FAMILY - CONSERVED FEATURES AND DEDUCED PHYLOGENY OF THE CATALYTIC DOMAINS [J].

HANKS, SK ;

QUINN, AM ;

HUNTER, T .

SCIENCE, 1988, 241 (4861) :42-52

[5] Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative [J].

Kinoshita, T ;

Warizaya, M ;

Ohori, M ;

Sato, K ;

Neya, M ;

Fujii, T .

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2006, 16 (01) :55-58

[6] Molecular recognition of protein kinase binding pockets for design of potent and selective kinase inhibitors [J].

Liao, Jeffrey Jie-Lou .

JOURNAL OF MEDICINAL CHEMISTRY, 2007, 50 (03) :409-424

[7] The protein kinase complement of the human genome [J].

Manning, G ;

Whyte, DB ;

Martinez, R ;

Hunter, T ;

Sudarsanam, S .

SCIENCE, 2002, 298 (5600) :1912-+

[8] Structures of the tyrosine kinase domain of fibroblast growth factor receptor in complex with inhibitors [J].

Mohammadi, M ;

McMahon, G ;

Sun, L ;

Tang, C ;

Hirth, P ;

Yeh, BK ;

Hubbard, SR ;

Schlessinger, J .

SCIENCE, 1997, 276 (5314) :955-960

[9] Protein kinase inhibitors: Insights into drug design from structure [J].

Noble, MEM ;

Endicott, JA ;

Johnson, LN .

SCIENCE, 2004, 303 (5665) :1800-1805

[10] Nucleotide-induced conformational changes in the Saccharomyces cerevisiae SR protein kinase, Sky1p, revealed by X-ray crystallography [J].

Nolen, B ;

Ngo, J ;

Chakrabarti, S ;

Vu, D ;

Adams, JA ;

Ghosh, G .

BIOCHEMISTRY, 2003, 42 (32) :9575-9585

← 1 2 →