PMID- 17710450
OWN - NLM
STAT- MEDLINE
DCOM- 20080102
LR  - 20181113
IS  - 0949-8257 (Print)
IS  - 0949-8257 (Linking)
VI  - 12
IP  - 8
DP  - 2007 Nov
TI  - Matrix metalloproteinase-inhibitor interaction: the solution structure of the 
      catalytic domain of human matrix metalloproteinase-3 with different inhibitors.
PG  - 1197-206
AB  - We structurally characterized the adducts of the catalytic domain of matrix 
      metalloproteinase-3 (MMP3) with three different nonpeptidic inhibitors by solving 
      the solution structure of one adduct 
      [MMP3-N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid] and then by 
      calculating structural models of the other two adducts using a reduced set of 
      experimental NMR data, following a recently proposed procedure (Bertini et al. in 
      J. Med. Chem. 48:7544-7559, 2005). The inhibitors were selected with the criteria 
      of maintaining in all of them the same zinc-coordinating moiety and of 
      selectively changing the substituents and/or the functional groups. The backbone 
      dynamics on various time scales have been characterized as well. The comparison 
      among these structures and with others previously reported allowed us to 
      elucidate fine details of inhibitor-receptor interactions and to develop some 
      criteria, which could guide in optimizing the design of selective inhibitors.
FAU - Alcaraz, Luis A
AU  - Alcaraz LA
AD  - Magnetic Resonance Center (CERM), University of Florence, Via L. Sacconi 6, Sesto 
      Fiorentino, Italy.
FAU - Banci, Lucia
AU  - Banci L
FAU - Bertini, Ivano
AU  - Bertini I
FAU - Cantini, Francesca
AU  - Cantini F
FAU - Donaire, Antonio
AU  - Donaire A
FAU - Gonnelli, Leonardo
AU  - Gonnelli L
LA  - eng
SI  - PDB/2JNP
SI  - PDB/2JT5
SI  - PDB/2JT6
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20070821
PL  - Germany
TA  - J Biol Inorg Chem
JT  - Journal of biological inorganic chemistry : JBIC : a publication of the Society 
      of Biological Inorganic Chemistry
JID - 9616326
RN  - 0 (Enzyme Inhibitors)
RN  - 0 (Hydroxamic Acids)
RN  - 0 (N-isobutyl-N-(4-methoxyphenylsulfonyl)glycylhydroxamic acid)
RN  - 0 (Solutions)
RN  - 0 (Sulfonamides)
RN  - EC 3.4.24.17 (Matrix Metalloproteinase 3)
SB  - IM
MH  - Amino Acid Sequence
MH  - *Catalytic Domain/drug effects
MH  - Enzyme Inhibitors/*chemistry/pharmacology
MH  - Humans
MH  - Hydroxamic Acids/chemistry
MH  - Matrix Metalloproteinase 3/*chemistry
MH  - Molecular Sequence Data
MH  - Protein Conformation
MH  - Solutions
MH  - Sulfonamides/chemistry
EDAT- 2007/08/22 09:00
MHDA- 2008/01/03 09:00
CRDT- 2007/08/22 09:00
PHST- 2007/05/16 00:00 [received]
PHST- 2007/08/02 00:00 [accepted]
PHST- 2007/08/22 09:00 [pubmed]
PHST- 2008/01/03 09:00 [medline]
PHST- 2007/08/22 09:00 [entrez]
AID - 10.1007/s00775-007-0288-9 [doi]
PST - ppublish
SO  - J Biol Inorg Chem. 2007 Nov;12(8):1197-206. doi: 10.1007/s00775-007-0288-9. Epub 
      2007 Aug 21.