PDB: 109 件ウェブページステータス検索Chemie searchBIRD

---

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
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
5R8H	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z111716368 in complex with INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide, 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 (1.5 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
5R8I	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z210803634 in complex with INTERLEUKIN-1 BETA 分子名称: (1~{R})-1-(4-ethoxyphenyl)ethanamine, 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 (1.47 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
5R8J	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z355728146 in complex with INTERLEUKIN-1 BETA 分子名称: 2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide, 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 (1.62 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
5R8K	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z355728146 in complex with INTERLEUKIN-1 BETA 分子名称: 2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide, 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 (1.47 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
5R8L	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1891773393 in complex with INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide, 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 (1.56 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
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
5R8N	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z57292400 in complex with INTERLEUKIN-1 BETA 分子名称: 3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide, 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 (1.48 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
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
5R8P	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z818727262 in complex with INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, SULFATE ION, ~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine 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 (1.53 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
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
5UC6	Structural insights into IL-1 alpha recognition by a naphthyl-modified aptamer that mimics IL-1RI Domain III 分子名称: DNA (5'-D(*CP*G)-R(P*(85Y))-D(P*GP*AP*G)-R(P*(85Y)P*(85Y))-D(P*A)-R(P*(85Y))-D(P*GP*GP*G)-R(P*(85Y)P*(85Y))-D(P*AP*GP*AP*G)-R(P*(85Y))-D(P*CP*GP*(ATD))-3'), Interleukin-1 alpha, MAGNESIUM ION, ... 著者 Ren, X, Pyle, A. 登録日 2016-12-21 公開日 2017-10-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural basis for IL-1 alpha recognition by a modified DNA aptamer that specifically inhibits IL-1 alpha signaling. Nat Commun, 8, 2017
6HPI	NMR structure of the pro-inflammatory cytokine interleukin-36alpha 分子名称: Interleukin-36 alpha 著者 Ohlenschlaeger, O, Imhof, D. 登録日 2018-09-21 公開日 2019-10-02 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 (1)H, (13)C, and (15)N resonance assignments for the pro-inflammatory cytokine interleukin-36alpha. Biomol NMR Assign, 10, 2016
6I1B	HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF INTERLEUKIN-1 BETA IN SOLUTION BY THREE-AND FOUR-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY 分子名称: INTERLEUKIN-1 BETA 著者 Clore, G.M, Gronenborn, A.M. 登録日 1991-01-22 公開日 1992-10-15 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 High-resolution three-dimensional structure of interleukin 1 beta in solution by three- and four-dimensional nuclear magnetic resonance spectroscopy. Biochemistry, 30, 1991
6NCU	Interleukin-37 residues 53-206- dimer 分子名称: Interleukin-37 著者 Eisenmesser, E.Z. 登録日 2018-12-12 公開日 2019-03-13 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Interleukin-37 monomer is the active form for reducing innate immunity. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6P9E	Crystal structure of IL-36gamma complexed to A-552 分子名称: (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma 著者 Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E. 登録日 2019-06-10 公開日 2019-06-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis. Sci Rep, 9, 2019
6Y8I	Fragment KCL_I013 in complex with IL-1-beta 分子名称: 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea, Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-05 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Fragment KCL_I013 in complex with IL-1-beta To Be Published
6Y8M	Fragment bikinin bound to Interleukin 1 beta 分子名称: 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid, Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-05 公開日 2020-03-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Fragment bikinin bound to Interleukin 1 beta To Be Published
7AL7	The Crystal Structure of Human IL-18 in Complex With Human IL-18 Binding Protein 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutathione S-transferase class-mu 26 kDa isozyme,Interleukin-18, Interleukin-18-binding protein 著者 Detry, S, Andries, J, Bloch, Y, Clancy, D, Savvides, S.N. 登録日 2020-10-05 公開日 2022-04-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 Structural basis of human IL-18 sequestration by the decoy receptor IL-18 binding protein in inflammation and tumor immunity. J.Biol.Chem., 298, 2022
7CHY	Crystal Structure Of Human Il-1beta In Complex With Antibody Binding Fragment Of IgG26 分子名称: Interleukin-1 beta, heavy chain of antibody binding fragment of IgG26, light chain of antibody binding fragment of IgG26 著者 Lee, C.C, Wang, A.H.J, Kuo, W.C. 登録日 2020-07-06 公開日 2021-01-13 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure-based Development of Human Interleukin-1 beta-Specific Antibody That Simultaneously Inhibits Binding to Both IL-1RI and IL-1RAcP. J.Mol.Biol., 433, 2020
7CHZ	Crystal Structure Of Human Il-1beta In Complex With Antibody Binding Fragment Of IgG26A 分子名称: Interleukin-1 beta, heavy chain of antibody binding fragment of IgG26A, light chain of antibody binding fragment of IgG26A 著者 Lee, C.C, Wang, A.H.J, Kuo, W.C. 登録日 2020-07-06 公開日 2021-01-13 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-based Development of Human Interleukin-1 beta-Specific Antibody That Simultaneously Inhibits Binding to Both IL-1RI and IL-1RAcP. J.Mol.Biol., 433, 2020
7I1B	HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF INTERLEUKIN-1 BETA IN SOLUTION BY THREE-AND FOUR-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY 分子名称: INTERLEUKIN-1 BETA 著者 Clore, G.M, Gronenborn, A.M. 登録日 1991-01-22 公開日 1992-10-15 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 High-resolution three-dimensional structure of interleukin 1 beta in solution by three- and four-dimensional nuclear magnetic resonance spectroscopy. Biochemistry, 30, 1991
7Z4T	AAL160 FAB IN COMPLEX WITH HUMAN INTERLEUKIN-1 BETA 分子名称: AAL160 Fab heavy-chain, AAL160 light-chain, Interleukin-1 beta 著者 Rondeau, J.M, Lehmann, S. 登録日 2022-03-04 公開日 2023-02-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 "Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A". Commun Biol, 6, 2023
8C3U	Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist 分子名称: (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta 著者 Rondeau, J.-M, Lehmann, S, Koch, E. 登録日 2022-12-28 公開日 2023-09-13 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.945 Å) 主引用文献 Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta. Nat Commun, 14, 2023

<12345>