PDB: 7755 resultsInfo pagesStatus searchChemie searchBIRD

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3EHX	Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid Descriptor: CALCIUM ION, Macrophage metalloelastase, N-(biphenyl-4-ylsulfonyl)-D-leucine, ... Authors: Calderone, V. Deposit date: 2008-09-15 Release date: 2009-05-19 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Biotin-tagged probes for MMP expression and activation: design, synthesis, and binding properties Bioconjug.Chem., 20, 2009
4QTY	Caspase-3 E190A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-09 Release date: 2014-11-05 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.602 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QU5	Caspase-3 T140V Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.908 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUI	Caspase-3 F128AV266H Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.758 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUA	Caspase-3 Y195F Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.892 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUB	Caspase-3 K137A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.689 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
3EHY	Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(4-methoxyphenylsulfonamido)propanoic acid Descriptor: CALCIUM ION, Macrophage metalloelastase, N-[(4-methoxyphenyl)sulfonyl]-D-alanine, ... Authors: Calderone, V. Deposit date: 2008-09-15 Release date: 2009-05-19 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Biotin-tagged probes for MMP expression and activation: design, synthesis, and binding properties Bioconjug.Chem., 20, 2009
3Q5Y	V beta/V beta homodimerization-based pre-TCR model suggested by TCR beta crystal structures Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Chen, Q, Zhang, H, Wang, J.-H. Deposit date: 2010-12-30 Release date: 2011-03-09 Last modified: 2014-10-15 Method: X-RAY DIFFRACTION (1.9 Å) Cite: A conserved hydrophobic patch on Vbeta domains revealed by TCRbeta chain crystal structures: implications for pre-TCR dimerization Front Immunol, 2, 2011
3QO4	The Crystal Structure of Death Receptor 6 Descriptor: ACETATE ION, SULFATE ION, Tumor necrosis factor receptor superfamily member 21 Authors: Kuester, M, Kemmerzehl, S, Dahms, S.O, Roeser, D, Than, M.E. Deposit date: 2011-02-09 Release date: 2011-05-18 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The crystal structure of death receptor 6 (DR6): a potential receptor of the amyloid precursor protein (APP). J.Mol.Biol., 409, 2011
4PO4	Crystal Structure of Lampetra planeri VLRC Descriptor: Lampetra planeri VLRC Authors: Gao, M.M, Mariuzza, R. Deposit date: 2014-02-24 Release date: 2015-01-14 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Selection of the lamprey VLRC antigen receptor repertoire. Proc.Natl.Acad.Sci.USA, 111, 2014
3GJT	Caspase-3 Binds Diverse P4 Residues in Peptides Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor Authors: Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. Deposit date: 2009-03-09 Release date: 2009-03-24 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
3Q5T	V beta/V beta homodimerization-based pre-TCR model suggested by TCR beta crystal structures Descriptor: TCR N30 beta Authors: Chen, Q, Zhang, H, Wang, J.-H. Deposit date: 2010-12-29 Release date: 2011-03-16 Last modified: 2018-04-18 Method: X-RAY DIFFRACTION (2.005 Å) Cite: A conserved hydrophobic patch on V beta domains revealed by TCR beta chain crystal structures: Implications for pre-TCR dimerization. Front Immunol, 2, 2011
1Q3X	Crystal structure of the catalytic region of human MASP-2 Descriptor: GLYCEROL, Mannan-binding lectin serine protease 2, SODIUM ION Authors: Harmat, V, Gal, P, Kardos, J, Szilagyi, K, Ambrus, G, Naray-Szabo, G, Zavodszky, P. Deposit date: 2003-08-01 Release date: 2004-08-03 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.23 Å) Cite: The structure of MBL-associated serine protease-2 reveals that identical substrate specificities of C1s and MASP-2 are realized through different sets of enzyme-substrate interactions J.Mol.Biol., 342, 2004
1PMC	PROTEINASE INHIBITOR PMP-C (NMR, 36 STRUCTURES) Descriptor: PROTEINASE INHIBITOR PMP-C Authors: Mer, G, Hietter, H, Lefevre, J.-F. Deposit date: 1995-09-17 Release date: 1996-01-29 Last modified: 2022-02-23 Method: SOLUTION NMR Cite: Solution structure of PMP-C: a new fold in the group of small serine proteinase inhibitors. J.Mol.Biol., 258, 1996
1A4L	ADA STRUCTURE COMPLEXED WITH DEOXYCOFORMYCIN AT PH 7.0 Descriptor: 2'-DEOXYCOFORMYCIN, ADENOSINE DEAMINASE, ZINC ION Authors: Wang, Z, Quiocho, F.A. Deposit date: 1998-01-31 Release date: 1998-10-14 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity. Biochemistry, 37, 1998
3H0E	3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3 Descriptor: (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol, Caspase-3 Authors: Xu, W. Deposit date: 2009-04-09 Release date: 2009-11-17 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.997 Å) Cite: 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3 Bioorg.Med.Chem., 17, 2009
3R6V	Crystal structure of aspartase from Bacillus sp. YM55-1 with bound L-aspartate Descriptor: ASPARTIC ACID, Aspartase, CALCIUM ION Authors: Fibriansah, G, Puthan Veetil, V, Poelarends, G.J, Thunnissen, A.-M.W.H. Deposit date: 2011-03-22 Release date: 2011-07-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural basis for the catalytic mechanism of aspartate ammonia lyase. Biochemistry, 50, 2011
1A4M	ADA STRUCTURE COMPLEXED WITH PURINE RIBOSIDE AT PH 7.0 Descriptor: 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION Authors: Wang, Z, Quiocho, F.A. Deposit date: 1998-01-31 Release date: 1998-10-14 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity. Biochemistry, 37, 1998
4QLU	yCP in complex with tripeptidic epoxyketone inhibitor 9 Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide, ... Authors: de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H. Deposit date: 2014-06-13 Release date: 2014-07-23 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes J.Med.Chem., 57, 2014
1ABJ	STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide Authors: Qiu, X, Tulinsky, A. Deposit date: 1992-08-24 Release date: 1994-01-31 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors. Biochemistry, 31, 1992
3TJU	Crystal structure of human granzyme H with an inhibitor Descriptor: Ac-PTSY-CMK inhibitor, Granzyme H, SULFATE ION Authors: Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z. Deposit date: 2011-08-25 Release date: 2011-12-28 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif J.Immunol., 188, 2012
3F1A	Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)benzenesulfonamide Descriptor: CALCIUM ION, Macrophage metalloelastase, N-oxo-2-(phenylsulfonylamino)ethanamide, ... Authors: Calderone, V. Deposit date: 2008-10-27 Release date: 2008-11-18 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases. J.Am.Chem.Soc., 129, 2007
4QLV	yCP in complex with tripeptidic epoxyketone inhibitor 17 Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide, ... Authors: de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H. Deposit date: 2014-06-13 Release date: 2014-07-23 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes J.Med.Chem., 57, 2014
3F19	Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide Descriptor: 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ... Authors: Calderone, V. Deposit date: 2008-10-27 Release date: 2008-11-18 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases. J.Am.Chem.Soc., 129, 2007
3H6N	Crystal Structure of the ubiquitin-like domain of plexin D1 Descriptor: ARSENIC, Plexin-D1, UNKNOWN ATOM OR ION Authors: Tong, Y, Nedyalkova, L, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Buck, M, Park, H, Structural Genomics Consortium (SGC) Deposit date: 2009-04-23 Release date: 2009-05-19 Last modified: 2017-11-01 Method: X-RAY DIFFRACTION (2.004 Å) Cite: Crystal Structure of the ubiquitin-like domain of plexin D1 To be Published

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