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1EUB
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BU of 1eub by Molmil
SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COLLAGENASE-3 (MMP-13) COMPLEXED TO A POTENT NON-PEPTIDIC SULFONAMIDE INHIBITOR
Descriptor: 1-METHYLOXY-4-SULFONE-BENZENE, 3-METHYLPYRIDINE, CALCIUM ION, ...
Authors:Zhang, X, Gonnella, N.C, Koehn, J, Pathak, N, Ganu, V, Melton, R, Parker, D, Hu, S.I, Nam, K.Y.
Deposit date:2000-04-14
Release date:2001-04-14
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of the catalytic domain of human collagenase-3 (MMP-13) complexed to a potent non-peptidic sulfonamide inhibitor: binding comparison with stromelysin-1 and collagenase-1.
J.Mol.Biol., 301, 2000
3E3U
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BU of 3e3u by Molmil
Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor
Descriptor: N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase
Authors:Meng, W, Xu, M, Pan, S, Koehn, J.
Deposit date:2008-08-08
Release date:2009-01-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results.
Bioorg.Med.Chem.Lett., 18, 2008
3D9T
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BU of 3d9t by Molmil
CIAP1-BIR3 in complex with N-terminal peptide from Caspase-9 (ATPFQE)
Descriptor: Baculoviral IAP repeat-containing protein 2, Caspase-9, ZINC ION
Authors:Kulathila, R, Price, A.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure of the BIR3 domain of cIAP1 in complex with the N-terminal peptides of SMAC and caspase-9.
Acta Crystallogr.,Sect.D, 65, 2009
3D9U
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BU of 3d9u by Molmil
The BIR3 domain of cIAP1 in complex with the N terminal peptide from SMAC/DIABLO (AVPIAQ).
Descriptor: Baculoviral IAP repeat-containing protein 2, SMAC/DIABLO, ZINC ION
Authors:Kulathila, R, Price, A.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of the BIR3 domain of cIAP1 in complex with the N-terminal peptides of SMAC and caspase-9.
Acta Crystallogr.,Sect.D, 65, 2009
3ELM
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BU of 3elm by Molmil
Crystal Structure of MMP-13 Complexed with Inhibitor 24f
Descriptor: (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ...
Authors:Kulathila, R, Monovich, L, Koehn, J.
Deposit date:2008-09-22
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13
J.Med.Chem., 52, 2009

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