PDB: 217686 件ウェブページステータス検索Chemie searchBIRD

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6CCS	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol 分子名称: 2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-07 公開日 2018-03-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
6Z8U	Copper transporter OprC 分子名称: Putative copper transport outer membrane porin OprC, SILVER ION 著者 Bhamidimarri, S.P, van den Berg, B. 登録日 2020-06-02 公開日 2021-06-09 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
7UNN	Thiol-disulfide oxidoreductase TsdA from Corynebacterium diphtheriae 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin domain-containing protein 著者 Osipiuk, J, Reardon-Robinson, M, Nguyen, M.T, Sanchez, B, Ton-That, H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2022-04-11 公開日 2022-04-20 最終更新日 2023-05-17 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 A cryptic oxidoreductase safeguards oxidative protein folding in Corynebacterium diphtheriae. Proc.Natl.Acad.Sci.USA, 120, 2023
6Z8Q	Copper transporter OprC 分子名称: Putative copper transport outer membrane porin OprC, SILVER ION 著者 Bhamidimarri, S.P, van den Berg, B. 登録日 2020-06-02 公開日 2021-06-09 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
6Z8T	Copper transporter OprC 分子名称: Putative copper transport outer membrane porin OprC, SILVER ION 著者 Bhamidimarri, S.P, van den Berg, B. 登録日 2020-06-02 公開日 2021-06-09 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.86 Å) 主引用文献 Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
8JFZ	Cryo-EM structure of Na+,K+-ATPase in the E1.Mg2+ state. 分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C. 登録日 2023-05-19 公開日 2023-08-09 最終更新日 2023-08-16 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate. Febs Lett., 597, 2023
6TIZ	DROSOPHILA GDP-TUBULIN Y222F MUTANT 分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Gigant, B. 登録日 2019-11-22 公開日 2021-01-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.197 Å) 主引用文献 GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation. J.Cell Biol., 220, 2021
7USQ	Crystal Structure of Caspase-3 with Peptide Inhibitor AcDVPD-CHO 分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcDVPD-CHO 著者 Fuller, J.L, Finzel, B.C. 登録日 2022-04-25 公開日 2022-06-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
6CHO	Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one 分子名称: 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ... 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-22 公開日 2018-04-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
7USO	Crystal Structure of Caspase-3 with Peptide Inhibitor AcITVKD-CHO 分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITVKD-CHO 著者 Fuller, J.L, Finzel, B.C. 登録日 2022-04-25 公開日 2022-06-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
6NIJ	PGT145 Fab in complex with full length AMC011 HIV-1 Env 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC011 Glycoprotein 120, ... 著者 Cottrell, C.A, Torrents de la Pena, A, Rantalainen, K, Torres, J.L, Ward, A.B. 登録日 2018-12-29 公開日 2019-07-31 最終更新日 2023-04-05 実験手法 ELECTRON MICROSCOPY (5.7 Å) 主引用文献 Similarities and differences between native HIV-1 envelope glycoprotein trimers and stabilized soluble trimer mimetics. Plos Pathog., 15, 2019
7USP	Crystal Structure of Caspase-3 with Peptide Inhibitor AcITV(Orn)D-CHO 分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITV(Orn)D-CHO 著者 Fuller, J.L, Finzel, B.C. 登録日 2022-04-25 公開日 2022-06-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
6CKW	Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile 分子名称: (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... 著者 Mamo, M, Appleton, B.A. 登録日 2018-03-01 公開日 2018-04-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
6Z91	Copper transporter OprC 分子名称: Putative copper transport outer membrane porin OprC, SILVER ION 著者 Bhamidimarri, S.P, van den Berg, B. 登録日 2020-06-03 公開日 2021-06-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
6CCO	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-((1S,2S)-2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)cyclopentyl)benzoic acid 分子名称: 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid, Phosphopantetheine adenylyltransferase, SULFATE ION 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-07 公開日 2018-03-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
6NK2	EphA2 LBD in complex with bA-WLA-YRPK bio peptide 分子名称: DI(HYDROXYETHYL)ETHER, Ephrin type-A receptor 2, bA-WLA-YPRKbio peptide 著者 Lechtenberg, B.C, Pasquale, E.B. 登録日 2019-01-04 公開日 2019-05-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling. J.Biol.Chem., 294, 2019
6QFC	Structure of an anti-Mcl1 scFv 分子名称: DIMETHYL SULFOXIDE, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 著者 Luptak, J. 登録日 2019-01-09 公開日 2019-11-06 最終更新日 2019-11-13 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
6Z99	Copper transporter OprC 分子名称: Putative copper transport outer membrane porin OprC, SILVER ION 著者 Bhamidimarri, S.P, van den Berg, B. 登録日 2020-06-03 公開日 2021-06-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
5JSB	Crystal structure of Mcl1-inhibitor complex 分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor 著者 Shen, B.W, Stoddard, B.L. 登録日 2016-05-07 公開日 2016-11-16 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
6CCQ	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol 分子名称: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-07 公開日 2018-03-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
6QFM	Structure of human Mcl-1 in complex with PUMA BH3 peptide 分子名称: Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... 著者 Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. 登録日 2019-01-10 公開日 2019-06-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
6MC9	Crystal Structure of Human Nav1.4 C-Terminal (1599-1754) domain in complex with calcium-bound calmodulin 分子名称: CALCIUM ION, Calmodulin-1, Sodium channel protein type 4 subunit alpha 著者 Yoder, J.B, Gabelli, S.B, Amzel, L.M. 登録日 2018-08-30 公開日 2019-04-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Ca2+-dependent regulation of sodium channels NaV1.4 and NaV1.5 is controlled by the post-IQ motif. Nat Commun, 10, 2019
5JY6	Structures of Streptococcus agalactiae GBS GAPDH in different enzymatic states 分子名称: Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Schormann, N, Chattopadhyay, D. 登録日 2016-05-13 公開日 2016-12-21 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structures of Group B Streptococcus Glyceraldehyde-3-Phosphate Dehydrogenase: Apo-Form, Binary and Ternary Complexes. PLoS ONE, 11, 2016
5K0S	Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1312 分子名称: 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one, Methionine--tRNA ligase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2016-05-17 公開日 2016-05-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis. Plos One, 11, 2016
7BN8	Notum fragment_3 (4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, Palmitoleoyl-protein carboxylesterase NOTUM, ... 著者 Zhao, Y, Jones, E.Y. 登録日 2021-01-21 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Notum Inhibitor To Be Published

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