1QGP
| NMR STRUCTURE OF THE Z-ALPHA DOMAIN OF ADAR1, 15 STRUCTURES | 分子名称: | PROTEIN (DOUBLE STRANDED RNA ADENOSINE DEAMINASE) | 著者 | Schade, M, Turner, C.J, Kuehne, R, Schmieder, P, Lowenhaupt, K, Herbert, A, Rich, A, Oschkinat, H. | 登録日 | 1999-05-03 | 公開日 | 1999-10-19 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structure of the Zalpha domain of the human RNA editing enzyme ADAR1 reveals a prepositioned binding surface for Z-DNA. Proc.Natl.Acad.Sci.USA, 96, 1999
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6YYN
| Structure of Cathepsin S in complex with Compound 14 | 分子名称: | CITRATE ANION, Cathepsin S, SULFATE ION, ... | 著者 | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | 登録日 | 2020-05-05 | 公開日 | 2021-05-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYR
| Structure of Cathepsin S in complex with Compound 20b | 分子名称: | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide, 1,2-ETHANEDIOL, CITRATE ANION, ... | 著者 | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | 登録日 | 2020-05-05 | 公開日 | 2021-05-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYP
| Structure of Cathepsin S in complex with Compound 2 | 分子名称: | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ... | 著者 | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | 登録日 | 2020-05-05 | 公開日 | 2021-05-12 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYO
| Structure of Cathepsin S in complex with Compound 1 | 分子名称: | 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ... | 著者 | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | 登録日 | 2020-05-05 | 公開日 | 2021-05-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYQ
| Structure of Cathepsin S in complex with Compound 3 | 分子名称: | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S | 著者 | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | 登録日 | 2020-05-05 | 公開日 | 2021-05-12 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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1XZ9
| Structure of AF-6 PDZ domain | 分子名称: | Afadin | 著者 | Joshi, M, Boisguerin, P, Leitner, D, Volkmer-Engert, R, Moelling, K, Schade, M, Schmieder, P, Krause, G, Oschkinat, H. | 登録日 | 2004-11-12 | 公開日 | 2005-11-15 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery of low-molecular-weight ligands for the AF6 PDZ domain. Angew.Chem.Int.Ed.Engl., 45, 2006
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2EXG
| Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands for the AF6 PDZ Domain | 分子名称: | (5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-1,3-THIAZOL-4-ONE, Afadin | 著者 | Joshi, M, Vargas, C, Boisguerin, P, Krause, G, Schade, M, Oschkinat, H. | 登録日 | 2005-11-08 | 公開日 | 2006-10-17 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery of low-molecular-weight ligands for the AF6 PDZ domain. Angew.Chem.Int.Ed.Engl., 45, 2006
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1OYI
| Solution structure of the Z-DNA binding domain of the vaccinia virus gene E3L | 分子名称: | double-stranded RNA-binding protein | 著者 | Kahmann, J.D, Wecking, D.A, Putter, V, Lowenhaupt, K, Kim, Y.-G, Schmieder, P, Oschkinat, H, Rich, A, Schade, M. | 登録日 | 2003-04-04 | 公開日 | 2004-03-09 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structure of the N-terminal domain of E3L shows a tyrosine conformation that may explain its reduced affinity to Z-DNA in vitro. Proc.Natl.Acad.Sci.USA, 101, 2004
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2YJA
| Stapled Peptides binding to Estrogen Receptor alpha. | 分子名称: | ESTRADIOL, ESTROGEN RECEPTOR, STAPLED PEPTIDE | 著者 | Phillips, C, Roberts, L.R, Schade, M, Bazin, R, Bent, A, Davies, N.L, Irving, S.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Scott, A, Xu, B. | 登録日 | 2011-05-19 | 公開日 | 2011-08-03 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Design and Structure of Stapled Peptides Binding to Estrogen Receptors. J.Am.Chem.Soc., 133, 2011
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2YJD
| Stapled peptide bound to Estrogen Receptor Beta | 分子名称: | 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL, ESTROGEN RECEPTOR BETA, STAPLED PEPTIDE | 著者 | Phillips, C, Roberts, L.R, Schade, M, Bent, A, Davies, N.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Irving, S.L. | 登録日 | 2011-05-19 | 公開日 | 2011-08-03 | 最終更新日 | 2017-01-25 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Design and Structure of Stapled Peptides Binding to Estrogen Receptors. J.Am.Chem.Soc., 133, 2011
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2LDD
| Solution structure of the estrogen receptor-binding stapled peptide SP6 (Ac-EKHKILXRLLXDS-NH2) | 分子名称: | Estrogen receptor-binding stapled peptide SP6 | 著者 | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | 登録日 | 2011-05-21 | 公開日 | 2011-07-06 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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2LDA
| Solution structure of the estrogen receptor-binding stapled peptide SP2 (Ac-HKXLHQXLQDS-NH2) | 分子名称: | Estrogen receptor-binding stapled peptide SP2 | 著者 | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | 登録日 | 2011-05-20 | 公開日 | 2011-07-06 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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2LDC
| Solution structure of the estrogen receptor-binding stapled peptide SP1 (Ac-HXILHXLLQDS-NH2) | 分子名称: | Estrogen receptor-binding stapled peptide SP1 | 著者 | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | 登録日 | 2011-05-20 | 公開日 | 2011-07-06 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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6I6F
| SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 1 | 分子名称: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase, ... | 著者 | Alen, J, Schade, M, Wagener, M, Blaesse, M. | 登録日 | 2018-11-15 | 公開日 | 2019-07-10 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
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6I6V
| SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 6 | 分子名称: | 1,2-ETHANEDIOL, 2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Alen, J, Schade, M, Wagener, M, Blaesse, M. | 登録日 | 2018-11-15 | 公開日 | 2019-07-10 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
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6I6P
| SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3 | 分子名称: | 1,2-ETHANEDIOL, 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Alen, J, Schade, M, Wagener, M, Blaesse, M. | 登録日 | 2018-11-15 | 公開日 | 2019-07-10 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
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6I6C
| SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 2 | 分子名称: | (1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide, 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Alen, J, Schade, M, Wagener, M, Blaesse, M. | 登録日 | 2018-11-15 | 公開日 | 2019-07-10 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
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6I6T
| SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 5 | 分子名称: | 1,2-ETHANEDIOL, 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Alen, J, Schade, M, Wagener, M, Blaesse, M. | 登録日 | 2018-11-15 | 公開日 | 2019-07-10 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
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6I79
| SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 4 | 分子名称: | 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase | 著者 | Alen, J, Schade, M, Wagener, M, Blaesse, M. | 登録日 | 2018-11-16 | 公開日 | 2019-07-10 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
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8AV9
| INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH COMPOUND 1 | 分子名称: | (3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one, Fab Heavy Chain, Fab Light Chain, ... | 著者 | Hargreaves, D. | 登録日 | 2022-08-26 | 公開日 | 2023-05-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Design of rigid protein-protein interaction inhibitors enables targeting of undruggable Mcl-1. Proc.Natl.Acad.Sci.USA, 120, 2023
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3GOK
| Binding site mapping of protein ligands | 分子名称: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 2 | 著者 | Scheich, C. | 登録日 | 2009-03-19 | 公開日 | 2010-03-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Binding site mapping of protein ligands To be published
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