Author results

1BJZ
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TETRACYCLINE CHELATED MG2+-ION INITIATES HELIX UNWINDING FOR TET REPRESSOR INDUCTION
分子名称:TETRACYCLINE REPRESSOR
著者Orth, P., Saenger, W., Hinrichs, W.
登録日1998-06-29
公開日1999-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Tetracycline-chelated Mg2+ ion initiates helix unwinding in Tet repressor induction.
Biochemistry, 38, 1999
1ORK
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TET REPRESSOR, CLASS D IN COMPLEX WITH 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEMETHYL-6-DEOXY-TETRACYCLINE
分子名称:TETRACYCLINE REPRESSOR, MAGNESIUM ION, 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE
著者Orth, P., Schnappinger, D., Sum, P.-E., Ellestad, G.A., Hillen, W., Saenger, W., Hinrichs, W.
登録日1998-05-21
公開日1999-06-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the tet repressor in complex with a novel tetracycline, 9-(N,N-dimethylglycylamido)- 6-demethyl-6-deoxy-tetracycline.
J.Mol.Biol., 285, 1999
1R54
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN ADAM33
分子名称:ADAM 33, N-ACETYL-D-GLUCOSAMINE, ZINC ION, ...
著者Orth, P., Reicher, P., Wang, W., Prosise, W.W., Yarosh-Tomaine, T., Hammond, G., Xiao, L., Mirza, U.A., Zou, J., Strickland, C., Taremi, S.S.
登録日2003-10-09
公開日2004-10-12
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structre of the catalytic domain of human ADAM33
J.Mol.Biol., 335, 2004
1R55
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN ADAM 33
分子名称:ADAM 33, N-ACETYL-D-GLUCOSAMINE, ALPHA-D-MANNOSE, ...
著者Orth, P., Reichert, P., Wang, W., Prosise, W.W., Yarosh-Tomaine, T., Hammond, G., Xiao, L., Mirza, U.A., Zou, J., Strickland, C., Taremi, S.S., Le, H.V., Madison, V.
登録日2003-10-09
公開日2004-10-12
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structre of the catalytic domain of human ADAM33
J.Mol.Biol., 335, 2004
4NP4
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CLOSTRIDIUM DIFFICILE TOXIN B CROP DOMAIN IN COMPLEX WITH FAB DOMAINS OF NEUTRALIZING ANTIBODY BEZLOTOXUMAB
分子名称:Toxin B, bezlotoxumab heavy chain, bezlotoxumab light chain
著者Orth, P., Xiao, L., Hernandez, L.D., Reichert, P., Sheth, P., Beaumont, M., Murgolo, N., Ermakov, G., DiNunzio, E., Racine, F., Karczewski, J., Secore, S., Ingram, R.N., Mayhood, T., Strickland, C., Therien, A.G.
登録日2013-11-20
公開日2014-05-21
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Mechanism of Action and Epitopes of Clostridium difficile Toxin B-neutralizing Antibody Bezlotoxumab Revealed by X-ray Crystallography.
J.Biol.Chem., 289, 2014
1A6I
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TET REPRESSOR, CLASS D VARIANT
分子名称:TETRACYCLINE REPRESSOR PROTEIN CLASS D
著者Orth, P., Cordes, F., Schnappinger, D., Hillen, W., Saenger, W., Hinrichs, W.
登録日1998-02-25
公開日1999-03-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational changes of the Tet repressor induced by tetracycline trapping.
J.Mol.Biol., 279, 1998
1QEW
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HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) COMPLEX WITH A NONAMERIC PEPTIDE FROM MELANOMA-ASSOCIATED ANTIGEN 3 (RESIDUES 271-279)
分子名称:PROTEIN (HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B* 3501 ALPHA CHAIN), PROTEIN (BETA-2-MICROGLOBULIN), ...
著者Orth, P., Alings, C., Saenger, W., Ziegler, A.
登録日1999-04-02
公開日2003-11-18
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) COMPLEX WITH A NONAMERIC PEPTIDE FROM MELANOMA-ASSOCIATED ANTIGEN 3 (RESIDUES 271-279)
To be Published
1QPI
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CRYSTAL STRUCTURE OF TETRACYCLINE REPRESSOR/OPERATOR COMPLEX
分子名称:DNA (5'-D(*CP*CP*TP*AP*TP*CP*AP*AP*TP*GP*AP*TP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*TP*CP*AP*TP*TP*GP*AP*TP*AP*GP*G)-3'), PROTEIN (TETRACYCLINE REPRESSOR), ...
著者Orth, P., Schnappinger, D., Hillen, W., Saenger, W., Hinrichs, W.
登録日1999-05-25
公開日2000-02-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of gene regulation by the tetracycline inducible Tet repressor-operator system.
Nat.Struct.Biol., 7, 2000
4AUX
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TET REPRESSOR CLASS D IN COMPLEX WITH 9-NITROTETRACYCLINE
分子名称:TETRACYCLINE REPRESSOR PROTEIN CLASS D, (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, MAGNESIUM ION, ...
著者Orth, P., Saenger, W., Hinrichs, W.
登録日2012-05-22
公開日2012-05-30
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Tet Repressor Class D in Complex with 9-Nitrotetracycline and Magnesium
To be Published
3JZF
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH BENZIMIDAZOLES SERIES
分子名称:Biotin carboxylase, CARBONATE ION, 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide
著者Orth, P.
登録日2009-09-23
公開日2009-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3P76
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X-RAY CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS LPXC COMPLEXED SCH1379777
分子名称:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, IMIDAZOLE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide, ...
著者Orth, P.
登録日2010-10-12
公開日2011-02-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design and synthesis of potent Gram-negative specific LpxC inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4H1E
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STRUCTURE OF BACE-1 BOUND TO (7AR)-6-BENZOYL-7A-(4-(3-CYANOPHENYL)THIOPHEN-2-YL)-3-METHYL-4-OXOHEXAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDIN-2(3H)-IMINIUM
分子名称:Beta-secretase 1, 3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
著者Orth, P.
登録日2012-09-10
公開日2012-10-17
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
2DDF
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CRYSTAL STRUCTURE OF TACE IN COMPLEX WITH TAPI-2
分子名称:ADAM 17, ZINC ION, CALCIUM ION, ...
著者Orth, P.
登録日2006-01-28
公開日2006-03-14
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
2FJ1
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CRYSTAL STRUCTURE ANALYSIS OF TET REPRESSOR (CLASS D) IN COMPLEX WITH 7-CHLORTETRACYCLINE-NICKEL(II)
分子名称:Tetracycline repressor protein class D, NICKEL (II) ION, CHLORIDE ION, ...
著者Orth, P., Saenger, W., Palm, G.J., Hinrichs, W.
登録日2005-12-30
公開日2007-01-09
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Specific binding of divalent metal ions to tetracycline and to the Tet repressor/tetracycline complex.
J.Biol.Inorg.Chem., 13, 2008
2FV5
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CRYSTAL STRUCTURE OF TACE IN COMPLEX WITH IK682
分子名称:ADAM 17, ZINC ION, (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
著者Orth, P., Niu, X.
登録日2006-01-30
公開日2006-07-04
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献IK682, a tight binding inhibitor of TACE.
Arch.Biochem.Biophys., 451, 2006
2FV9
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CRYSTAL STRUCTURE OF TACE IN COMPLEX WITH JMV 390-1
分子名称:ADAM 17, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2006-01-30
公開日2006-03-14
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献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
3E8R
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH HYDROXAMATE INHIBITOR
分子名称:ADAM 17, ZINC ION, (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ...
著者Orth, P.
登録日2008-08-20
公開日2008-10-21
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
3EWJ
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH CARBOXYLATE INHIBITOR
分子名称:ADAM 17, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2008-10-15
公開日2008-11-18
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3KMC
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH TARTRATE-BASED INHIBITOR
分子名称:TNF-alpha-converting enzyme, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
3KME
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH PHENYL-PYRROLIDINYL-TARTRATE INHIBITOR
分子名称:TNF-alpha-converting enzyme, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
3L0T
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH HYDANTOIN INHIBITOR
分子名称:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-12-10
公開日2010-03-02
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3L0V
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH THE FIRST HYDANTOIN INHIBITOR OCCUPYING THE S1' POCKET
分子名称:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
著者Orth, P.
登録日2009-12-10
公開日2010-03-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LE9
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF TACE WITH INDAZOLINONE-PHENYL-HYDANTOIN INHIBITOR
分子名称:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione, ...
著者Orth, P.
登録日2010-01-14
公開日2010-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LEA
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF TACE WITH ISOINDOLINONE-BIPHENYL-HYDANTOIN INHIBITOR
分子名称:Disintegrin and metalloproteinase domain-containing protein 17, 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium, ZINC ION, ...
著者Orth, P.
登録日2010-01-14
公開日2010-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LGP
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH BENZIMIDAZOLYL-THIENYL-TARTRATE BASED INHIBITOR
分子名称:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, (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
著者Orth, P.
登録日2010-01-21
公開日2010-07-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010