4AUX
 
 | | Tet repressor class D in complex with 9-nitrotetracycline | | 分子名称: | (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, CHLORIDE ION, 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 | 2023-12-20 | | 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
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1ORK
 | | TET REPRESSOR, CLASS D IN COMPLEX WITH 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEMETHYL-6-DEOXY-TETRACYCLINE | | 分子名称: | 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR | | 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 | 2024-05-22 | | 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
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1R54
 | | Crystal structure of the catalytic domain of human ADAM33 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADAM 33, CALCIUM 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 | 2021-10-27 | | 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
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1R55
 | | Crystal structure of the catalytic domain of human ADAM 33 | | 分子名称: | (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAM 33, CALCIUM ION, ... | | 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 | 2021-10-27 | | 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
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1QPI
 | | 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'), IMIDAZOLE, ... | | 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 | 2024-02-14 | | 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
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4NP4
 | | 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 | 2023-09-20 | | 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
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1QEW
 | | 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 (BETA-2-MICROGLOBULIN), PROTEIN (HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B* 3501 ALPHA CHAIN), ... | | 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 | 2023-08-16 | | 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
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1BJZ
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1A6I
 | | 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 | 2024-05-22 | | 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
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4H1E
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7S5H
 | | PCSK9(deltaCRD) in complex with cyclic peptide 35 | | 分子名称: | (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ... | | 著者 | Orth, P. | | 登録日 | 2021-09-10 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.272 Å) | | 主引用文献 | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
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7S5G
 | | PCSK9 in complex with compound 19 | | 分子名称: | (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ... | | 著者 | Orth, P. | | 登録日 | 2021-09-10 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.041 Å) | | 主引用文献 | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
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5HU0
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6XIE
 | | PCSK9(deltaCRD) in complex with cyclic peptide 77 | | 分子名称: | GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XIB
 | | PCSK9(deltaCRD) in complex with cyclic peptide 30 | | 分子名称: | GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.546 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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5HTZ
 | | BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide | | 分子名称: | (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1 | | 著者 | Orth, P. | | 登録日 | 2016-01-27 | | 公開日 | 2016-11-09 | | 最終更新日 | 2017-01-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
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6XIC
 | | PCSK9(deltaCRD) in complex with cyclic peptide 40 | | 分子名称: | GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.377 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XID
 | | PCSK9(deltaCRD) in complex with cyclic peptide 51 | | 分子名称: | GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.482 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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7ROV
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3TH9
 | | Crystal Structure of HIV-1 Protease Mutant Q7K V32I L63I with a cyclic sulfonamide inhibitor | | 分子名称: | Gag-Pol polyprotein, tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate | | 著者 | Orth, P. | | 登録日 | 2011-08-18 | | 公開日 | 2011-09-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Design, Synthesis, and X-ray Crystallographic Analysis of a Novel Class of HIV-1 Protease Inhibitors.
J.Med.Chem., 54, 2011
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4FRS
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6XIF
 | | PCSK9(deltaCRD) in complex with cyclic peptide 83 | | 分子名称: | GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.774 Å) | | 主引用文献 | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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7REP
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7REO
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6U26
 | | PCSK9 in complex with compound 16 | | 分子名称: | 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Orth, P. | | 登録日 | 2019-08-19 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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