PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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7RWN	Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one 分子名称: 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF 著者 Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-08-20 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
7SJP	anti-HtrA1 Fab15H6.v4 bound to HtrA1-LoopA peptide 分子名称: GLYCEROL, Heavy Chain, HtrA1-LoopA peptide, ... 著者 Ultsch, M.H, Gerhardy, S. 登録日 2021-10-18 公開日 2022-09-07 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration. Nat Commun, 13, 2022
7SJN	HtrA1:Fab15H6.v4 complex 分子名称: Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1 著者 Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D. 登録日 2021-10-18 公開日 2022-09-07 最終更新日 2022-09-21 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration. Nat Commun, 13, 2022
7RWP	Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one 分子名称: 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF 著者 Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-08-20 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
7SJM	anti-HtrA1 Fab15H6.v4 分子名称: GLYCEROL, Heavy Chain, Light Chain, ... 著者 Ultsch, M.H, Gerhardy, S. 登録日 2021-10-18 公開日 2022-09-07 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration. Nat Commun, 13, 2022
7RWQ	Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one 分子名称: 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF 著者 Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-08-20 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
7RWO	Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one 分子名称: 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF 著者 Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-08-20 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
7SJO	HtrA1S328A:Fab15H6.v4 complex 分子名称: Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1 著者 Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D. 登録日 2021-10-18 公開日 2022-09-07 最終更新日 2022-09-21 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration. Nat Commun, 13, 2022
5C90	Staphylococcus aureus ClpP mutant - Y63A 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit 著者 Ye, F, Liu, H, Zhang, J, Gan, J, Yang, C.-G. 登録日 2015-06-26 公開日 2016-05-25 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure Acs Chem.Biol., 11, 2016
5C2W	Kuenenia stuttgartiensis Hydrazine Synthase Pressurized with 20 bar Xenon 分子名称: CALCIUM ION, CHLORIDE ION, HEME C, ... 著者 Dietl, A, Ferousi, C, Maalcke, W.J, Menzel, A, de Vries, S, Keltjens, J.T, Jetten, M.S.M, Kartal, B, Barends, T.R.M. 登録日 2015-06-16 公開日 2015-10-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 The inner workings of the hydrazine synthase multiprotein complex. Nature, 527, 2015
7W36	Crystal structure of human Atg5 complexed with a stapled peptide 分子名称: Autophagy protein 5, Stapled ATG16L1-derived peptide 著者 Kurata, I, Matoba, K, Noda, N.N. 登録日 2021-11-25 公開日 2022-09-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Targeting the ATG5-ATG16L1 Protein-Protein Interaction with a Hydrocarbon-Stapled Peptide Derived from ATG16L1 for Autophagy Inhibition. J.Am.Chem.Soc., 144, 2022
7X77	Ectodomain structure of per os infectivity factor 5 分子名称: Per os infectivity factor 5 著者 Cao, S, Li, Z, Fu, Y. 登録日 2022-03-09 公開日 2022-06-22 最終更新日 2022-08-10 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Characterization of Per Os Infectivity Factor 5 (PIF5) Reveals the Essential Role of Intramolecular Interactions in Baculoviral Oral Infectivity. J.Virol., 96, 2022
7KR9	Bifunctional enzyme GlmU bound to Zn(II) 分子名称: ACETYL COENZYME *A, Bifunctional protein GlmU, CALCIUM ION, ... 著者 Maher, M.J. 登録日 2020-11-19 公開日 2021-12-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Dysregulation of Streptococcus pneumoniae zinc homeostasis breaks ampicillin resistance in a pneumonia infection model. Cell Rep, 38, 2022
5C2V	Kuenenia stuttgartiensis Hydrazine Synthase 分子名称: CALCIUM ION, CHLORIDE ION, HEME C, ... 著者 Dietl, A, Ferousi, C, Maalcke, W.J, Menzel, A, de Vries, S, Keltjens, J.T, Jetten, M.S.M, Kartal, B, Barends, T.R.M. 登録日 2015-06-16 公開日 2015-10-14 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 The inner workings of the hydrazine synthase multiprotein complex. Nature, 527, 2015
7L2G	NMR solution structure of Nak1 from the Necator americanus hookworm 分子名称: ShTK domain protein 著者 Smallwood, T.B, Rosengren, K.J, Clark, R.J. 登録日 2020-12-17 公開日 2021-10-27 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Synthetic hookworm-derived peptides are potent modulators of primary human immune cell function that protect against experimental colitis in vivo. J.Biol.Chem., 297, 2021
3ZBF	Structure of Human ROS1 Kinase Domain in Complex with Crizotinib 分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS 著者 McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. 登録日 2012-11-08 公開日 2013-06-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1 N.Engl.J.Med., 368, 2013
7VMX	The Crystal Structure of EF-Tu and EF-Ts complex from Mycobacterium tuberculosis 分子名称: Elongation factor Ts, Elongation factor Tu, MAGNESIUM ION, ... 著者 Zhan, B.W, Li, J.X. 登録日 2021-10-09 公開日 2022-10-12 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural insights of the elongation factor EF-Tu complexes in protein translation of Mycobacterium tuberculosis. Commun Biol, 5, 2022
7YJW	Structure of Leptospira santarosai serovar shermani LRR protein LSS01692 分子名称: Membrane protein 著者 Wu, C.T, Hsu, S.H, Yang, C.W, Sun, Y.J. 登録日 2022-07-20 公開日 2023-06-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Crystal structure of Leptospira LSS_01692 reveals a dimeric structure and induces inflammatory responses through Toll-like receptor 2-dependent NF-kappa B and MAPK signal transduction pathways. Febs J., 290, 2023
7WGO	X-ray structure of human PPAR gamma ligand binding domain-bezafibrate co-rystals obtained by co-crystallization 分子名称: 15-meric peptide from Nuclear receptor coactivator 1, 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Isoform 1 of Peroxisome proliferator-activated receptor gamma 著者 Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. 登録日 2021-12-28 公開日 2022-05-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate. Int J Mol Sci, 23, 2022
7WGQ	X-ray structure of human PPAR gamma ligand binding domain-pemafibrate co-crystals obtained by co-crystallization 分子名称: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma 著者 Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. 登録日 2021-12-28 公開日 2022-05-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate. Int J Mol Sci, 23, 2022
7WGP	X-ray structure of human PPAR gamma ligand binding domain-fenofibric acid co-crystals obtained by co-crystallization 分子名称: 15-meric peptide from Nuclear receptor coactivator 1, 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Isoform 1 of Peroxisome proliferator-activated receptor gamma 著者 Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. 登録日 2021-12-28 公開日 2022-05-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate. Int J Mol Sci, 23, 2022
7WGN	X-ray structure of human PPAR delta ligand binding domain-pemafibrate co-crystals obtained by co-crystallization 分子名称: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside 著者 Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. 登録日 2021-12-28 公開日 2022-05-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.813 Å) 主引用文献 Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate. Int J Mol Sci, 23, 2022
7WGL	X-ray structure of human PPAR delta ligand binding domain-bezafibrate co-crystals obtained by co-crystallization 分子名称: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside 著者 Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. 登録日 2021-12-28 公開日 2022-05-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.091 Å) 主引用文献 Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate. Int J Mol Sci, 23, 2022
7MEU	A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders 分子名称: (2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E 著者 Papadopoulos, E. 登録日 2021-04-07 公開日 2021-04-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders. Eur.J.Med.Chem., 219, 2021
7V4G	Crystal structure of human ALKBH5 in complex with m6A-containing ssRNA 分子名称: GLYCEROL, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... 著者 Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. 登録日 2021-08-13 公開日 2022-03-30 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes. Nucleic Acids Res., 50, 2022

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