PDB: 2682 件ウェブページステータス検索Chemie searchBIRD

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8RYS	Human IL-1beta, unliganded 分子名称: Interleukin-1 beta, SULFATE ION 著者 Rondeau, J.-M, Lehmann, S. 登録日 2024-02-09 公開日 2024-03-06 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024
8A7C	PcIDS1 in complex with Mg2+, IPP, and ZOL 分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... 著者 Ecker, F, Boland, W, Groll, M. 登録日 2022-06-20 公開日 2023-05-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A7J	PcIDS1 in complex with Mn2+, IPP, and ZOL 分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... 著者 Ecker, F, Boland, W, Groll, M. 登録日 2022-06-21 公開日 2023-05-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
5R8Q	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z2643472210 in complex with INTERLEUKIN-1 BETA 分子名称: 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide, Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R7W	PanDDA analysis group deposition of ground-state model of INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-02 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 PanDDA analysis group deposition of ground-state model To Be Published
6R09	T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole 分子名称: 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
8A7K	PcIDS1 in complex with Mg2+/Mn2+, IPP, and ZOL 分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... 著者 Ecker, F, Boland, W, Groll, M. 登録日 2022-06-21 公開日 2023-05-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
5BOW	CRYSTAL STRUCTURE OF IL-38 分子名称: 1,2-ETHANEDIOL, Interleukin-1 family member 10 著者 Guenther, S, Sundberg, E.J. 登録日 2015-05-27 公開日 2016-06-01 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Crystal Structure of Interleukin-38 To Be Published
6R0A	T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol 分子名称: 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, ACETATE ION, Farnesyl diphosphate synthase, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
1MKK	Disulfide deficient mutant of vascular endothelial growth factor A (C61A and C104A) 分子名称: Vascular Endothelial Growth Factor A 著者 Muller, Y.A, Heiring, C, Misselwitz, R, Welfle, K, Welfle, H. 登録日 2002-08-29 公開日 2002-12-11 最終更新日 2021-10-27 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 The cystine knot promotes folding and not thermodynamic stability in vascular endothelial growth factor J.Biol.Chem., 277, 2002
5R8E	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z57475877 in complex with INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, SULFATE ION, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
3LSN	Crystal structure of putative geranyltranstransferase from PSEUDOMONAS fluorescens PF-5 complexed with magnesium 分子名称: Geranyltranstransferase, MAGNESIUM ION 著者 Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2010-02-12 公開日 2010-03-02 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Crystal structure of putative geranyltranstransferase from Pseudomonas fluorescens PF-5 complexed with magnesium To be Published
6KSR	Crystal structure of Hexokinase from Eimeria tenella 分子名称: Phosphotransferase, alpha-D-galactopyranose 著者 Yuan, H, Sun, M.F, Wang, Y.H, Liao, S.Q. 登録日 2019-08-25 公開日 2020-09-02 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Crystal structure of Hexokinase from Eimeria tenella To Be Published
7MY0	Sy-CrtE IPP structure 分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ... 著者 Peat, T.S, Newman, J. 登録日 2021-05-19 公開日 2022-06-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase. Febs J., 289, 2022
3LJI	CRYSTAL STRUCTURE OF putative geranyltranstransferase from Pseudomonas fluorescens Pf-5 分子名称: Geranyltranstransferase 著者 Malashkevich, V.N, Toro, R, Patskovsky, Y, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2010-01-26 公開日 2010-02-09 最終更新日 2021-02-10 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 CRYSTAL STRUCTURE OF putative geranyltranstransferase from Pseudomonas fluorescens Pf-5 To be Published
5R8M	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1818332938 in complex with INTERLEUKIN-1 BETA 分子名称: 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one, Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
2CXN	Crystal structure of mouse AMF / phosphate complex 分子名称: GLYCEROL, Glucose-6-phosphate isomerase, PHOSPHATE ION 著者 Tanaka, N, Haga, A, Naba, N, Shiraiwa, K, Kusakabe, Y, Hashimoto, K, Funasaka, T, Nagase, H, Raz, A, Nakamura, K.T. 登録日 2005-06-30 公開日 2006-05-23 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Crystal structures of mouse autocrine motility factor in complex with carbohydrate phosphate inhibitors provide insight into structure-activity relationship of the inhibitors J.Mol.Biol., 356, 2006
5CG5	Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate 分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION 著者 Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. 登録日 2015-07-09 公開日 2015-10-14 最終更新日 2024-04-03 実験手法 NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION 主引用文献 Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase J.Med.Chem., 58, 2015
5R8F	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z2377835233 in complex with INTERLEUKIN-1 BETA 分子名称: 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide, Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5QPJ	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000465a 分子名称: 2-methoxy-N-[(1R)-1-phenylethyl]acetamide, ACETATE ION, Farnesyl diphosphate synthase, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-04-04 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QPL	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000464a 分子名称: ACETATE ION, Farnesyl diphosphate synthase, N-[(2S)-2-hydroxypropyl]-N'-phenylurea, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-04-04 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5R8O	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1881545321 in complex with INTERLEUKIN-1 BETA 分子名称: 5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide, Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
3O8M	Crystal structure of monomeric KlHxk1 in crystal form XI with glucose bound (closed state) 分子名称: CHLORIDE ION, Hexokinase, alpha-D-glucopyranose, ... 著者 Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. 登録日 2010-08-03 公開日 2010-10-13 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
5R8G	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1259086950 in complex with INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, SULFATE ION, [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
4NUA	The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates 分子名称: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ... 著者 Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. 登録日 2013-12-03 公開日 2014-11-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates To be Published

 

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