PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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7ZKA	ABCB1 V978C mutant (mABCB1) in the outward facing state bound to AAC 分子名称: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... 著者 Parey, K, Januliene, D, Gewering, T, Urbatsch, I, Zhang, Q, Moeller, A. 登録日 2022-04-12 公開日 2023-04-26 最終更新日 2024-11-06 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
6NNJ	Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to CH31 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.1 Angstrom 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, 35O22 scFv heavy chain, ... 著者 Lai, Y.-T, Kwong, P.D. 登録日 2019-01-15 公開日 2019-02-27 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Improvement of antibody functionality by structure-guided paratope engraftment. Nat Commun, 10, 2019
7ZK5	ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC 分子名称: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... 著者 Parey, K, Januliene, D, Gewering, T, Moeller, A. 登録日 2022-04-12 公開日 2023-04-26 最終更新日 2024-11-20 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
7ZK9	ABCB1 L971C mutant (mABCB1) in the inward facing state 分子名称: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 著者 Parey, K, Januliene, D, Gewering, T, Zhang, Q, Moeller, A. 登録日 2022-04-12 公開日 2023-04-26 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (4.3 Å) 主引用文献 Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
6DO8	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 80 s at 21 C 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.414 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DOE	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 420 s at 21 C 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.451 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
5DNW	Crystal structure of KAI2-like protein from Striga (apo state 1) 分子名称: 1,2-ETHANEDIOL, FORMIC ACID, SODIUM ION, ... 著者 Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. 登録日 2015-09-10 公開日 2016-08-17 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica Sci Rep, 6, 2016
6DPH	Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mn2+ and 200 mM K+ for 120 s at 21 C 分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.339 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
5ZRL	M. smegmatis antimutator protein MutT2 in complex with CDP 分子名称: 1,2-ETHANEDIOL, CYTIDINE-5'-DIPHOSPHATE, Putative mutator protein MutT2/NUDIX hydrolase 著者 Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. 登録日 2018-04-24 公開日 2019-04-24 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2. J.Struct.Biol., 204, 2018
7ZK8	ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC 分子名称: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... 著者 Parey, K, Januliene, D, Gewering, T, Moeller, A. 登録日 2022-04-12 公開日 2023-04-26 最終更新日 2024-11-13 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
5TC0	Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate 分子名称: N-(2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1H-imidazole-2-carboxamide, Tyrosine-protein kinase Mer 著者 Hoffman, I.D, Lawson, J.D. 登録日 2016-09-13 公開日 2017-01-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate. Bioorg. Med. Chem. Lett., 27, 2017
7T7Q	R-27 In Complex with S. aureus DHFR and alpha-NADPH - Remediated for comparison with tNADPH 分子名称: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ACETATE ION, Dihydrofolate reductase, ... 著者 Reeve, S.M, Wang, S, Donald, B.R, Wright, D.L. 登録日 2021-12-15 公開日 2022-02-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus. Plos Comput.Biol., 18, 2022
1K1X	Crystal structure of 4-alpha-glucanotransferase from thermococcus litoralis 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-ALPHA-GLUCANOTRANSFERASE, CALCIUM ION 著者 Imamura, H, Fushinobu, S, Kumasaka, T, Yamamoto, M, Jeon, B.S, Wakagi, T, Matsuzawa, H. 登録日 2001-09-26 公開日 2003-06-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structures of 4-alpha-glucanotransferase from Thermococcus litoralis and its complex with an inhibitor J.BIOL.CHEM., 278, 2003
5TD2	Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate 分子名称: N-[2-{4-[(2S)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1H-imidazole-2-carboxamide, Tyrosine-protein kinase Mer 著者 Hoffman, I.D, Lawson, J.D. 登録日 2016-09-16 公開日 2017-01-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate. Bioorg. Med. Chem. Lett., 27, 2017
6DOF	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 540 s at 21 C 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.433 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
9BJT	X-ray crystal structure of Y62F Thermothelomyces thermophilus polysaccharide monooxygenase 9E 分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Glycoside hydrolase family 61 protein, ... 著者 Thomas, W.C, Sayler, R.I, Marletta, M.A. 登録日 2024-04-25 公開日 2024-12-18 最終更新日 2025-01-22 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Electron transfer in polysaccharide monooxygenase catalysis. Proc.Natl.Acad.Sci.USA, 122, 2025
5K6Q	Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase catalytic subunit 分子名称: 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... 著者 Garcia, M.D, Wang, J.-G, Lonhienne, T, Guddat, L.W. 登録日 2016-05-25 公開日 2017-05-31 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.952 Å) 主引用文献 Crystal structure of plant acetohydroxyacid synthase, the target for several commercial herbicides. FEBS J., 284, 2017
6DPA	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 4 mM Mn2+ and 200 mM K+ for 40 s at 21 C 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.489 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
5ZVX	Crystal structure of K86A mutant of phosphomannose isomerase from Salmonella typhimurium 分子名称: 1,2-ETHANEDIOL, Mannose-6-phosphate isomerase, ZINC ION 著者 Bangera, M, Murthy, M.R.N. 登録日 2018-05-13 公開日 2019-05-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural and functional insights into phosphomannose isomerase: the role of zinc and catalytic residues. Acta Crystallogr D Struct Biol, 75, 2019
9BJS	X-ray crystal structure of Y62W Thermothelomyces thermophilus polysaccharide monooxygenase 9E 分子名称: 1,2-ETHANEDIOL, ACETIC ACID, COPPER (II) ION, ... 著者 Thomas, W.C, Sayler, R.I, Marletta, M.A. 登録日 2024-04-25 公開日 2024-12-18 最終更新日 2025-01-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Electron transfer in polysaccharide monooxygenase catalysis. Proc.Natl.Acad.Sci.USA, 122, 2025
9BJR	X-ray crystal structure of Y168F variant Thermothelomyces thermophilus polysaccharide monooxygenase 9E 分子名称: 1,2-ETHANEDIOL, ACETATE ION, COPPER (II) ION, ... 著者 Thomas, W.C, Sayler, R.I, Marletta, M.A. 登録日 2024-04-25 公開日 2024-12-18 最終更新日 2025-01-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Electron transfer in polysaccharide monooxygenase catalysis. Proc.Natl.Acad.Sci.USA, 122, 2025
6DPL	Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with an RNA/DNA Hybrid: Reaction in 10 mM Mg2+ and 200 mM Rb+ for 720 s at 21 C 分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
9BJQ	X-ray crystal structure of wild-type Thermothelomyces thermophilus polysaccharide monooxygenase 9E 分子名称: 1,2-ETHANEDIOL, ACETATE ION, COPPER (II) ION, ... 著者 Thomas, W.C, Sayler, R.I, Marletta, M.A. 登録日 2024-04-25 公開日 2024-12-18 最終更新日 2025-01-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Electron transfer in polysaccharide monooxygenase catalysis. Proc.Natl.Acad.Sci.USA, 122, 2025
5DTJ	Crystal Structure of dfp-inhibited mouse acetylcholinesterase in complex with the reactivator SP-134 分子名称: 1-[5-(2,4-dichlorophenoxy)pentyl]-1H-imidazole, Acetylcholinesterase 著者 Tran, T.H, Tong, L. 登録日 2015-09-18 公開日 2015-10-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates. Chembiochem, 16, 2015
4WJK	Metal Ion and Ligand Binding of Integrin 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, CALCIUM ION, ... 著者 Xia, W, Springer, T.A. 登録日 2014-09-30 公開日 2014-12-03 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Metal ion and ligand binding of integrin alpha 5 beta 1. Proc.Natl.Acad.Sci.USA, 111, 2014

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