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1

A decade of fragment-based drug design: strategic advances and lessons learned

Hajduk, Philip J., Greer, Jonathan

Journal:

Nature Reviews Drug Discovery

Year:

2007

Language:

english

File:

PDF, 463 KB

english, 2007

2

An inhibitor of Bcl-2 family proteins induces regression of solid tumours

Oltersdorf, Tilman, Elmore, Steven W., Shoemaker, Alexander R., Armstrong, Robert C., Augeri, David J., Belli, Barbara A., Bruncko, Milan, Deckwerth, Thomas L., Dinges, Jurgen, Hajduk, Philip J.

Journal:

Year:

2005

Language:

english

File:

PDF, 362 KB

english, 2005

3

Navigating the kinome

Metz, James T, Johnson, Eric F, Soni, Niru B, Merta, Philip J, Kifle, Lemma, Hajduk, Philip J

Journal:

Nature Chemical Biology

Year:

2011

Language:

english

File:

PDF, 534 KB

english, 2011

4

Predicting protein druggability

Philip J. Hajduk, Jeffrey R. Huth, Christin Tse

Journal:

Drug Discovery Today

Year:

2005

Language:

english

File:

PDF, 487 KB

english, 2005

5

Privileged Molecules for Protein Binding Identified from NMR-Based Screening

Hajduk, Philip J., Bures, Mark, Praestgaard, Jens, Fesik, Stephen W.

Journal:

Journal of Medicinal Chemistry

Year:

2000

Language:

english

File:

PDF, 66 KB

english, 2000

6

Structure of the N-Terminal RNA-Binding Domain of the SARS CoV Nucleocapsid Protein

Huang, Qiulong, Yu, Liping, Petros, Andrew M., Gunasekera, Angelo, Liu, Zhihong, Xu, Nan, Hajduk, Philip, Mack, Jamey, Fesik, Stephen W., Olejniczak, Edward T.

Journal:

Year:

2004

Language:

english

File:

PDF, 186 KB

english, 2004

7

NMR-Based Screening of Proteins Containing 13 C-Labeled Methyl Groups

Hajduk, Philip J., Augeri, David J., Mack, Jamey, Mendoza, Renaldo, Yang, Jianguo, Betz, Stephen F., Fesik, Stephen W.

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 162 KB

english, 2000

8

NMR in Pharmacokinetic and Pharmacodynamic Profiling

Chaohong Sun, Jeffrey R. Huth, Philip J. Hajduk

Journal:

Year:

2005

Language:

english

File:

PDF, 322 KB

english, 2005

9

Effects of Conformational Dynamics on Predicted Protein Druggability

Scott P. Brown, Philip J. Hajduk

Journal:

Year:

2006

Language:

english

File:

PDF, 244 KB

english, 2006

10

Identification of a monoacid-Based, cell permeable, selective inhibitor of protein tyrosine phosphatase 1B

Zhili Xin, Gang Liu, Cele Abad-Zapatero, Zhonghua Pei, Bruce G. Szczepankiewicz, Xiaofeng Li, Tianyuan Zhang, Charles W. Hutchins, Philip J. Hajduk, Stephen J. Ballaron, Michael A. Stashko, Thomas H.

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2003

Language:

english

File:

PDF, 222 KB

english, 2003

11

Scaffold oriented synthesis. Part 2: Design, synthesis and biological evaluation of pyrimido-diazepines as receptor tyrosine kinase inhibitors

Vijaya Gracias, Zhiqin Ji, Irini Akritopoulou-Zanze, Cele Abad-Zapatero, Jeffrey R. Huth, Danying Song, Philip J. Hajduk, Eric F. Johnson, Keith B. Glaser, Patrick A. Marcotte, Lori Pease, Nirupama B.

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2008

Language:

english

File:

PDF, 437 KB

english, 2008

12

Biochemical and biophysical characterization of unique switch pocket inhibitors of p38α

Steven L. Swann, Philip J. Merta, Lemma Kifle, Duncan Groebe, Kathy Sarris, Philip J. Hajduk, Chaohong Sun

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1.90 MB

english, 2010

13

Rational approaches to targeted polypharmacology: creating and navigating protein–ligand interaction networks

James T Metz, Philip J Hajduk

Journal:

Current Opinion in Chemical Biology

Year:

2010

Language:

english

File:

PDF, 552 KB

english, 2010

14

TINS, Target Immobilized NMR Screening: An Efficient and Sensitive Method for Ligand Discovery

Sophie Vanwetswinkel, Robert J. Heetebrij, John van Duynhoven, Johan G. Hollander, Dmitri V. Filippov, Philip J. Hajduk, Gregg Siegal

Journal:

Chemistry & Biology

Year:

2005

Language:

english

File:

PDF, 288 KB

english, 2005

15

Potent, selective inhibitors of protein tyrosine phosphatase 1B

Zhili Xin, Thorsten K Oost, Cele Abad-Zapatero, Philip J Hajduk, Zhonghua Pei, Bruce G Szczepankiewicz, Charles W Hutchins, Steve J Ballaron, Mike A Stashko, Tom Lubben, James M Trevillyan, Mike R Jir

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2003

Language:

english

File:

PDF, 214 KB

english, 2003

16

NMR-based discovery of phosphotyrosine mimetics that bind to the Lck SH2 domain

Philip J. Hajduk, Ming-Ming Zhou, Stephen W. Fesik

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

1999

Language:

english

File:

PDF, 202 KB

english, 1999

17

A genetic algorithm-based protocol for docking ensembles of small ligands using experimental restraints

Robert P. Meadows, Philip J. Hajduk

Journal:

Journal of Biomolecular NMR

Year:

1995

Language:

english

File:

PDF, 721 KB

english, 1995

18

Enhancement of chemical rules for predicting compound reactivity towards protein thiol groups

James T. Metz, Jeffrey R. Huth, Philip J. Hajduk

Journal:

Journal of Computer-Aided Molecular Design

Year:

2007

Language:

english

File:

PDF, 161 KB

english, 2007

19

Fragment-based lead discovery: challenges and opportunities

Chaohong Sun, Andrew M. Petros, Philip J. Hajduk

Journal:

Journal of Computer-Aided Molecular Design

Year:

2011

Language:

english

File:

PDF, 215 KB

english, 2011

20

Structural Studies of Bcl-xL/ligand Complexes using19F NMR

Liping Yu, Philip J. Hajduk, Jamey Mack, Edward T. Olejniczak

Journal:

Journal of Biomolecular NMR

Year:

2006

Language:

english

File:

PDF, 299 KB

english, 2006

21

Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors

Hongyu Zhao, Gang Liu, Zhili Xin, Michael D. Serby, Zhonghua Pei, Bruce G. Szczepankiewicz, Philip J. Hajduk, Cele Abad-Zapatero, Charles W. Hutchins, Thomas H. Lubben, Stephen J. Ballaron, Deanna L.

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2004

Language:

english

File:

PDF, 301 KB

english, 2004

22

From Bacterial Genomes to Novel Antibacterial Agents: Discovery, Characterization, and Antibacterial Activity of Compounds that Bind to HI0065 (YjeE) from Haemophilus influenzae

Claude G. Lerner, Philip J. Hajduk, Rolf Wagner, Frank L. Wagenaar, Charlotte Woodall, Yu-Gui Gu, Xenia B. Searle, Alan S. Florjancic, Tianyuan Zhang, Richard F. Clark, Curt S. Cooper, Jamey C. Mack,

Journal:

Chemical Biology & Drug Design

Year:

2007

Language:

english

File:

PDF, 1.17 MB

english, 2007

23

Solution structure of a pleckstrin-homology domain

Yoon, Ho Sup, Hajduk, Philip J., Petros, Andrew M., Olejniczak, Edward T., Meadows, Robert P., Fesik, Stephen W.

Journal:

Year:

1994

File:

PDF, 445 KB

1994

24

Pleckstrin homology domains bind to phosphatidylinositol-4,5-bisphosphate

Harlan, John E., Hajduk, Philip J., Yoon, Ho Sup, Fesik, Stephen W.

Journal:

Year:

1994

File:

PDF, 749 KB

1994

25

Drug discovery: A question of library design

Hajduk, Philip J., Galloway, Warren R. J. D., Spring, David R.

Journal:

Year:

2011

Language:

english

File:

PDF, 241 KB

english, 2011

26

Puzzling through fragment-based drug design

Hajduk, Philip J

Journal:

Nature Chemical Biology

Year:

2006

Language:

english

File:

PDF, 311 KB

english, 2006

27

Solution dynamics of the 1,2,3,4,6-penta-O-acetyl-α-D-idopyranose ring

David A Horita, Philip J Hajduk, Laura E Lerner

Journal:

Glycoconjugate Journal

Year:

1997

Language:

english

File:

PDF, 340 KB

english, 1997

28

One-Dimensional Relaxation- and Diffusion-Edited NMR Methods for Screening Compounds That Bind to Macromolecules

Hajduk, Philip J., Olejniczak, Edward T., Fesik, Stephen W.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 140 KB

english, 1997

29

Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure

Kenton L. Longenecker, Geoffrey F. Stamper, Philip J. Hajduk, Elizabeth H. Fry, Clarissa G. Jakob, John E. Harlan, Rohinton Edalji, Diane M. Bartley, Karl A. Walter, Larry R. Solomon, Thomas F. Holzma

Journal:

Protein Science

Year:

2005

Language:

english

File:

PDF, 1001 KB

english, 2005

30

Solution structure and calcium-binding properties of EF-hands 3 and 4 of calsenilin

Liping Yu, Chaohong Sun, Renaldo Mendoza, Jie Wang, Edmund D. Matayoshi, Eric Hebert, Ana Pereda-Lopez, Philip J. Hajduk, Edward T. Olejniczak

Journal:

Protein Science

Year:

2007

Language:

english

File:

PDF, 529 KB

english, 2007

31

Rational Design of Diflunisal Analogues with Reduced Affinity for Human Serum Albumin

Mao, Hongyuan, Hajduk, Philip J., Craig, Richard, Bell, Randy, Borre, Tony, Fesik, Stephen W.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 12 KB

english, 2001

32

Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands

Liu, Gang, Xin, Zhili, Liang, Heng, Abad-Zapatero, Cele, Hajduk, Philip J., Janowick, David A., Szczepankiewicz, Bruce G., Pei, Zhonghua, Hutchins, Charles W., Ballaron, Stephen J.

Journal:

Journal of Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 188 KB

english, 2003

33

Healthy skepticism: assessing realistic model performance

Scott P. Brown, Steven W. Muchmore, Philip J. Hajduk

Journal:

Drug Discovery Today

Year:

2009

Language:

english

File:

PDF, 1.40 MB

english, 2009

34

Kinase-targeted libraries: The design and synthesis of novel, potent, and selective kinase inhibitors

Irini Akritopoulou-Zanze, Philip J. Hajduk

Journal:

Drug Discovery Today

Year:

2009

Language:

english

File:

PDF, 1.43 MB

english, 2009

35

Druggability Indices for Protein Targets Derived from NMR-Based Screening Data

Hajduk, Philip J., Huth, Jeffrey R., Fesik, Stephen W.

Journal:

Journal of Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 322 KB

english, 2005

36

Labeled Ligand Displacement: Extending NMR-Based Screening of Protein Targets

Swann, Steven L., Song, Danying, Sun, Chaohong, Hajduk, Philip J., Petros, Andrew M.

Journal:

ACS Medicinal Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1.02 MB

english, 2010

37

High-level bacterial expression and purification of human SirT2 protein for NMR studies

Chaohong Sun, Danying Song, Patrick A. Marcotte, Paul L. Richardson, Philip J. Hajduk

Journal:

Protein Expression and Purification

Year:

2006

Language:

english

File:

PDF, 397 KB

english, 2006

38

Evaluation of PMF Scoring in Docking Weak Ligands to the FK506 Binding Protein

Muegge, Ingo, Martin, Yvonne C., Hajduk, Philip J., Fesik, Stephen W.

Journal:

Journal of Medicinal Chemistry

Year:

1999

Language:

english

File:

PDF, 81 KB

english, 1999

39

Novel Inhibitors of Erm Methyltransferases from NMR and Parallel Synthesis

Hajduk, Philip J., Dinges, Jürgen, Schkeryantz, Jeffrey M., Janowick, David, Kaminski, Michele, Tufano, Michael, Augeri, David J., Petros, Andrew, Nienaber, Vicki, Zhong, Ping, Hammond, Rachel, Coen,

Journal:

Journal of Medicinal Chemistry

Year:

1999

Language:

english

File:

PDF, 223 KB

english, 1999

40

SOS-NMR: A Saturation Transfer NMR-Based Method for Determining the Structures of Protein−Ligand Complexes

Hajduk, Philip J., Mack, Jamey C., Olejniczak, Edward T., Park, Chang, Dandliker, Peter J., Beutel, Bruce A.

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 485 KB

english, 2004

41

ALARM NMR: A Rapid and Robust Experimental Method To Detect Reactive False Positives in Biochemical Screens

Huth, Jeffrey R., Mendoza, Renaldo, Olejniczak, Edward T., Johnson, Robert W., Cothron, Darlene A., Liu, Yaya, Lerner, Claude G., Chen, Jun, Hajduk, Philip J.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 175 KB

english, 2005

42

Solution structure and function of an essential CMP kinase of Streptococcus pneumoniae

Liping Yu, Jamey Mack, Philip J. Hajduk, Steve J. Kakavas, Anne Y.C. Saiki, Claude G. Lerner, Edward T. Olejniczak

Journal:

Protein Science

Year:

2003

Language:

english

File:

PDF, 460 KB

english, 2003

43

Structural Characterization of the Interaction between a Pleckstrin Homology Domain and Phosphatidylinositol 4,5-Bisphosphate

Harlan, John E., Yoon, Ho Sup, Hajduk, Philip J., Fesik, Stephen W.

Journal:

Year:

1995

Language:

english

File:

PDF, 1.22 MB

english, 1995

44

Discovery of a Potent Inhibitor of the Antiapoptotic Protein Bcl-x L from NMR and Parallel Synthesis

Petros, Andrew M., Dinges, Jurgen, Augeri, David J., Baumeister, Steven A., Betebenner, David A., Bures, Mark G., Elmore, Steven W., Hajduk, Philip J., Joseph, Mary K., Landis, Shelley K., Nettesheim,

Journal:

Journal of Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 576 KB

english, 2006

45

Cheminformatic Tools for Medicinal Chemists

Muchmore, Steven W., Edmunds, Jeremy J., Stewart, Kent D., Hajduk, Philip J.

Journal:

Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 1.46 MB

english, 2010

46

Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy

Szczepankiewicz, Bruce G., Liu, Gang, Hajduk, Philip J., Abad-Zapatero, Cele, Pei, Zhonghua, Xin, Zhili, Lubben, Thomas H., Trevillyan, James M., Stashko, Michael A., Ballaron, Stephen J., Liang, Heng

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 375 KB

english, 2003

47

NMR-Based Modification of Matrix Metalloproteinase Inhibitors with Improved Bioavailability

Hajduk, Philip J., Shuker, Suzanne B., Nettesheim, David G., Craig, Richard, Augeri, David J., Betebenner, David, Albert, Daniel H., Guo, Yan, Meadows, Robert P., Xu, Lianhong, Michaelides, Michael, D

Journal:

Journal of Medicinal Chemistry

Year:

2002

Language:

english

File:

PDF, 383 KB

english, 2002

48

NMR-Based Discovery of Lead Inhibitors That Block DNA Binding of the Human Papillomavirus E2 Protein

Hajduk, Philip J., Dinges, Jürgen, Miknis, Gregory F., Merlock, Megan, Middleton, Tim, Kempf, Dale J., Egan, David A., Walter, Karl A., Robins, Terry S., Shuker, Suzy B., Holzman, Thomas F., Fesik, St

Journal:

Journal of Medicinal Chemistry

Year:

1997

Language:

english

File:

PDF, 272 KB

english, 1997

49

Fragment Screening and Assembly: A Highly Efficient Approach to a Selective and Cell Active Protein Tyrosine Phosphatase 1B Inhibitor

Liu, Gang, Xin, Zhili, Pei, Zhonghua, Hajduk, Philip J., Abad-Zapatero, Cele, Hutchins, Charles W., Zhao, Hongyu, Lubben, Thomas H., Ballaron, Stephen J., Haasch, Deanna L., Kaszubska, Wiweka, Rondino

Journal:

Journal of Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 189 KB

english, 2003

50

Nuclear Magnetic Resonance Structural Studies of a Potassium Channel−Charybdotoxin Complex ‡

Yu, Liping, Sun, Chaohong, Song, Danying, Shen, Jianwei, Xu, Nan, Gunasekera, Angelo, Hajduk, Philip J., Olejniczak, Edward T.

Journal:

Year:

2005

Language:

english

File:

PDF, 441 KB

english, 2005