4BEG
 
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2BSZ
 | | Structure of Mesorhizobium loti arylamine N-acetyltransferase 1 | | 分子名称: | ARYLAMINE N-ACETYLTRANSFERASE 1 | | 著者 | Holton, S.J, Dairou, J, Sandy, J, Rodrigues-Lima, F, Dupret, J.-M, Noble, M.E.M, Sim, E. | | 登録日 | 2005-05-24 | | 公開日 | 2005-05-25 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of Mesorhizobium Loti Arylamine N-Acetyltransferase 1.
Acta Crystallogr.,Sect.F, 61, 2005
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1OB3
 | | Structure of P. falciparum PfPK5 | | 分子名称: | CELL DIVISION CONTROL PROTEIN 2 HOMOLOG | | 著者 | Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. | | 登録日 | 2003-01-24 | | 公開日 | 2004-01-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition
Structure, 11, 2003
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2BZR
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2YQ4
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2YQ5
 | | Crystal Structure of D-isomer specific 2-hydroxyacid dehydrogenase from Lactobacillus delbrueckii ssp. bulgaricus: NAD complexed form | | 分子名称: | D-ISOMER SPECIFIC 2-HYDROXYACID DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Holton, S.J, Anandhakrishnan, M, Geerlof, A, Wilmanns, M. | | 登録日 | 2012-11-05 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structural Characterization of D-Isomer Specific 2-Hydroxyacid Dehydrogenase from Lactobacillus Delbrueckii Ssp. Bulgaricus
J.Struct.Biol., 181, 2013
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6TND
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79 | | 分子名称: | BAY 1217389, Dual specificity protein kinase TTK | | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | 登録日 | 2019-12-06 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
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6YM5
 | | Crystal structure of BAY-091 with PIP4K2A | | 分子名称: | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | 著者 | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | 登録日 | 2020-04-07 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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6YM3
 | | Crystal structure of Compound 1 with PIP4K2A | | 分子名称: | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | 著者 | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | 登録日 | 2020-04-07 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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6YM4
 | | Crystal structure of BAY-297 with PIP4K2A | | 分子名称: | (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | 著者 | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | 登録日 | 2020-04-07 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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6TNB
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | | 分子名称: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | 登録日 | 2019-12-06 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
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1W5R
 | | X-ray crystallographic structure of a C70Q Mycobacterium smegmatis N- arylamine Acetyltransferase | | 分子名称: | ARYLAMINE N-ACETYLTRANSFERASE | | 著者 | Holton, S.J, Sandy, J, Rodrigues-Lima, F, Dupret, J.-M, Bhakta, S, Noble, M.E.M, Sim, E. | | 登録日 | 2004-08-09 | | 公開日 | 2005-05-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Investigation of the Catalytic Triad of Arylamine N-Acetyltransferases: Essential Residues Required for Acetyl Transfer to Arylamines.
Biochem.J., 390, 2005
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6F7B
 | | Crystal structure of the human Bub1 kinase domain in complex with BAY 1816032 | | 分子名称: | 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1 | | 著者 | Holton, S.J, Siemeister, G, Mengel, A, Bone, W, Schroeder, J, Zitzmann-Kolbe, S, Briem, H, Fernandez-Montalvan, A, Prechtl, S, Moenning, U, von Ahsen, O, Johanssen, J, Cleve, A, Puetter, V, Hitchcock, M, von Nussbaum, F, Brands, M, Mumberg, D, Ziegelbauer, K. | | 登録日 | 2017-12-08 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo.
Clin.Cancer Res., 25, 2019
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8B8Y
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e) | | 分子名称: | 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | 著者 | Holton, S.J, Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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1V0B
 | | Crystal structure of the t198a mutant of pfpk5 | | 分子名称: | CELL DIVISION CONTROL PROTEIN 2 HOMOLOG | | 著者 | Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. | | 登録日 | 2004-03-26 | | 公開日 | 2004-03-31 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition
Structure, 11, 2003
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1V0P
 | | Structure of P. falciparum PfPK5-Purvalanol B ligand complex | | 分子名称: | CELL DIVISION CONTROL PROTEIN 2 HOMOLOG, PURVALANOL B | | 著者 | Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. | | 登録日 | 2004-04-01 | | 公開日 | 2004-05-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition
Structure, 11, 2003
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5AF3
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1V0O
 | | Structure of P. falciparum PfPK5-Indirubin-5-sulphonate ligand complex | | 分子名称: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION CONTROL PROTEIN 2 HOMOLOG | | 著者 | Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. | | 登録日 | 2004-03-31 | | 公開日 | 2004-04-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition
Structure, 11, 2003
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7AA5
 | | Human TRPV4 structure in presence of 4a-PDD | | 分子名称: | CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein | | 著者 | Botte, M, Ulrich, A.K.G, Adaixo, R, Gnutt, D, Brockmann, A, Bucher, D, Chami, M, Bocquet, M, Ebbinghaus-Kintscher, U, Puetter, V, Becker, A, Egner, U, Stahlberg, H, Hennig, M, Holton, S.J. | | 登録日 | 2020-09-03 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.18 Å) | | 主引用文献 | Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation
To Be Published
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2WT7
 | | Crystal structure of the bZIP heterodimeric complex MafB:cFos bound to DNA | | 分子名称: | MODIFIED T-MARE MOTIF, PHOSPHATE ION, PROTO-ONCOGENE PROTEIN C-FOS, ... | | 著者 | Pogenberg, V, Holton, S, Wilmanns, M. | | 登録日 | 2009-09-11 | | 公開日 | 2010-09-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design of a bZIP Transcription Factor with Homo/Heterodimer-Induced DNA-Binding Preference.
Structure, 22, 2014
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4AUW
 | | CRYSTAL STRUCTURE OF THE BZIP HOMODIMERIC MAFB IN COMPLEX WITH THE C- MARE BINDING SITE | | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, C-MARE BINDING SITE (5'-D(*AP*TP*AP*AP*TP*GP*CP*TP* GP*AP*CP*GP*TP*CP*AP*GP*CP*AP*AP*TP*T)-3'), MERCURY (II) ION, ... | | 著者 | Textor, L.C, Holton, S, Wilmanns, M. | | 登録日 | 2012-05-22 | | 公開日 | 2013-06-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Expression, purification, crystallization and preliminary crystallographic analysis of the mouse transcription factor MafB in complex with its DNA-recognition motif Cmare
Acta Crystallogr Sect F Struct Biol Cryst Commun., 63, 2007
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6HKM
 | | Crystal structure of Compound 1 with ERK5 | | 分子名称: | Mitogen-activated protein kinase 7, [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone | | 著者 | Nguyen, D, Lemos, C, Wortmann, L, Eis, K, Holton, S.J, Boemer, U, Lechner, C, Prechtl, S, Suelze, D, Siegel, F, Prinz, F, Lesche, R, Nicke, B, Mumberg, D, Bauser, M, Haegebarth, A. | | 登録日 | 2018-09-07 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5.
J. Med. Chem., 62, 2019
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3FAV
 | | Structure of the CFP10-ESAT6 complex from Mycobacterium tuberculosis | | 分子名称: | 6 kDa early secretory antigenic target, ESAT-6-like protein esxB, IMIDAZOLE, ... | | 著者 | Poulsen, C, Holton, S.J, Wilmanns, M, Song, Y.H. | | 登録日 | 2008-11-18 | | 公開日 | 2009-11-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | WXG100 protein superfamily consists of three subfamilies and exhibits an alpha-helical C-terminal conserved residue pattern.
Plos One, 9, 2014
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5N49
 | | BRPF2 in complex with Compound 7 | | 分子名称: | 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Bromodomain-containing protein 1 | | 著者 | Bouche, L, Christ, C.D, Siegel, S, Fernandez-Montalvan, A.E, Holton, S.J, Fedorov, O, ter Laak, A, Sugawara, T, Stoeckigt, D, Tallant, C, Bennett, J, Monteiro, O, Saez, L.D, Siejka, P, Meier, J, Puetter, V, Weiske, J, Mueller, S, Huber, K.V.M, Hartung, I.V, Haendler, B. | | 登録日 | 2017-02-10 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
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2WTY
 | | Crystal structure of the homodimeric MafB in complex with the T-MARE binding site | | 分子名称: | DNA (5'-D(*TP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP *GP*CP*AP*AP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*TP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP *GP*CP*AP*AP*TP*T)-3'), MAGNESIUM ION, ... | | 著者 | Consani Textor, L, Holton, S, Wilmanns, M. | | 登録日 | 2009-09-25 | | 公開日 | 2010-12-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Design of a bZIP Transcription Factor with Homo/Heterodimer-Induced DNA-Binding Preference.
Structure, 22, 2014
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