8CQY
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![BU of 8cqy by Molmil](/molmil-images/mine/8cqy) | Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3 | Authors: | Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C. | Deposit date: | 2023-03-07 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity. Front Mol Biosci, 10, 2023
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2DDF
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![BU of 2ddf by Molmil](/molmil-images/mine/2ddf) | Crystal structure of TACE in complex with TAPI-2 | Descriptor: | ADAM 17, CALCIUM ION, CITRIC ACID, ... | Authors: | Orth, P. | Deposit date: | 2006-01-28 | Release date: | 2006-03-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stabilization of the autoproteolysis of TNF-alpha converting enzyme (TACE) results in a novel crystal form suitable for structure-based drug design studies. Protein Eng.Des.Sel., 19, 2006
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3L0V
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3EWJ
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![BU of 3ewj by Molmil](/molmil-images/mine/3ewj) | Crystal structure of catalytic domain of TACE with carboxylate inhibitor | Descriptor: | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Orth, P. | Deposit date: | 2008-10-15 | Release date: | 2008-11-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3KMC
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![BU of 3kmc by Molmil](/molmil-images/mine/3kmc) | Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | Descriptor: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ... | Authors: | Orth, P. | Deposit date: | 2009-11-10 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
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3KME
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![BU of 3kme by Molmil](/molmil-images/mine/3kme) | Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | Descriptor: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Orth, P. | Deposit date: | 2009-11-10 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
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3LE9
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![BU of 3le9 by Molmil](/molmil-images/mine/3le9) | |
3O64
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![BU of 3o64 by Molmil](/molmil-images/mine/3o64) | Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides | Descriptor: | (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ... | Authors: | Orth, P. | Deposit date: | 2010-07-28 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3EDZ
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![BU of 3edz by Molmil](/molmil-images/mine/3edz) | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | Descriptor: | ADAM 17, CITRIC ACID, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Mazzola, R.D, Zhu, Z, Sinning, L, McKittrick, B, Lavey, B, Spitler, J, Kozlowski, J, Neng-Yang, S, Zhou, G, Guo, Z, Orth, P, Madison, V, Sun, J, Lundell, D, Niu, X. | Deposit date: | 2008-09-03 | Release date: | 2008-09-23 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket. Bioorg.Med.Chem.Lett., 18, 2008
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3E8R
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![BU of 3e8r by Molmil](/molmil-images/mine/3e8r) | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | Descriptor: | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ... | Authors: | Orth, P. | Deposit date: | 2008-08-20 | Release date: | 2008-10-21 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket. Bioorg.Med.Chem.Lett., 18, 2008
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2I47
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![BU of 2i47 by Molmil](/molmil-images/mine/2i47) | Crystal structure of catalytic domain of TACE with inhibitor | Descriptor: | 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Xu, W, Condon, J.S, Lovering, F.E. | Deposit date: | 2006-08-21 | Release date: | 2006-12-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of potent and selective TACE inhibitors via the S1 pocket. Bioorg.Med.Chem.Lett., 17, 2007
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3LGP
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![BU of 3lgp by Molmil](/molmil-images/mine/3lgp) | Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor | Descriptor: | (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION | Authors: | Orth, P. | Deposit date: | 2010-01-21 | Release date: | 2010-07-28 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and activity relationships of tartrate-based TACE inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3L0T
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![BU of 3l0t by Molmil](/molmil-images/mine/3l0t) | Crystal structure of catalytic domain of TACE with hydantoin inhibitor | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Orth, P. | Deposit date: | 2009-12-10 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery and SAR of hydantoin TACE inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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1BKC
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![BU of 1bkc by Molmil](/molmil-images/mine/1bkc) | CATALYTIC DOMAIN OF TNF-ALPHA CONVERTING ENZYME (TACE) | Descriptor: | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TUMOR NECROSIS FACTOR-ALPHA-CONVERTING ENZYME, ZINC ION | Authors: | Maskos, K, Fernandez-Catalan, C, Bode, W. | Deposit date: | 1998-04-23 | Release date: | 1999-06-22 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the catalytic domain of human tumor necrosis factor-alpha-converting enzyme. Proc.Natl.Acad.Sci.USA, 95, 1998
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3B92
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2OI0
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![BU of 2oi0 by Molmil](/molmil-images/mine/2oi0) | Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide | Descriptor: | (3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL, TNF- a Converting Enzyme (TACE), ZINC ION | Authors: | Wei, Y, Rao, G.B, Bandarage, U.K. | Deposit date: | 2007-01-10 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides Bioorg.Med.Chem.Lett., 17, 2007
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3LEA
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![BU of 3lea by Molmil](/molmil-images/mine/3lea) | |
2FV9
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![BU of 2fv9 by Molmil](/molmil-images/mine/2fv9) | Crystal structure of TACE in complex with JMV 390-1 | Descriptor: | ADAM 17, N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Orth, P. | Deposit date: | 2006-01-30 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Stabilization of the autoproteolysis of TNF-alpha converting enzyme (TACE) results in a novel crystal form suitable for structure-based drug design studies. Protein Eng.Des.Sel., 19, 2006
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3G42
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![BU of 3g42 by Molmil](/molmil-images/mine/3g42) | Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor | Descriptor: | ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION | Authors: | Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I. | Deposit date: | 2009-02-03 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem., 17, 2009
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2FV5
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![BU of 2fv5 by Molmil](/molmil-images/mine/2fv5) | Crystal structure of TACE in complex with IK682 | Descriptor: | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE, ADAM 17, ZINC ION | Authors: | Orth, P, Niu, X. | Deposit date: | 2006-01-30 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | IK682, a tight binding inhibitor of TACE. Arch.Biochem.Biophys., 451, 2006
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1ZXC
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![BU of 1zxc by Molmil](/molmil-images/mine/1zxc) | Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor | Descriptor: | (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Zhang, Y, Jin, G, Cowling, R, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-06-07 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 15, 2005
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3CKI
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![BU of 3cki by Molmil](/molmil-images/mine/3cki) | Crystal structure of the TACE-N-TIMP-3 complex | Descriptor: | ADAM 17, Metalloproteinase inhibitor 3, SODIUM ION, ... | Authors: | Wisniewska, M, Goettig, P, Maskos, K, Belouski, E, Winters, D, Hecht, R, Black, R, Bode, W. | Deposit date: | 2008-03-15 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural determinants of the ADAM inhibition by TIMP-3: crystal structure of the TACE-N-TIMP-3 complex. J.Mol.Biol., 381, 2008
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2A8H
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![BU of 2a8h by Molmil](/molmil-images/mine/2a8h) | Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor | Descriptor: | 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Jin, G, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-07-08 | Release date: | 2006-02-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 16, 2006
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8SNN
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![BU of 8snn by Molmil](/molmil-images/mine/8snn) | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1 | Descriptor: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2 | Authors: | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | Deposit date: | 2023-04-27 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.32 Å) | Cite: | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1 To Be Published
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8SNO
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![BU of 8sno by Molmil](/molmil-images/mine/8sno) | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2 | Descriptor: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2 | Authors: | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | Deposit date: | 2023-04-27 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2 To Be Published
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