PDB: 47120 件ウェブページステータス検索Chemie searchBIRD

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8QVF	Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. 分子名称: 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea, Bifunctional epoxide hydrolase 2 著者 Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. 登録日 2023-10-18 公開日 2024-08-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Exploring serial crystallography for drug discovery. Iucrj, 2024
6DL4	Human Titin ZIg10 分子名称: Titin 著者 Wright, N.T. 登録日 2018-05-31 公開日 2019-08-21 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Structural Insights on the Obscurin-Binding Domains in Titin. Protein Pept.Lett., 25, 2018
7N7C	crystal structure of the N-formyltransferase HCAN_0200 from helicobacter canadensis in complex with folinic acid and dTDP-3-aminoquinovose 分子名称: 1,2-ETHANEDIOL, Formyl_trans_N domain-containing protein, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ... 著者 Heisdorf, C.J, Thoden, J.B, Holden, H.M. 登録日 2021-06-10 公開日 2021-06-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis. Protein Sci., 30, 2021
8QRW	ASCT2 protomer in lipid nanodiscs under low Na+ concentration in the intermediate outward-facing state (iOFS-up) 分子名称: Neutral amino acid transporter B(0), SODIUM ION 著者 Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. 登録日 2023-10-09 公開日 2024-08-14 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
8QVH	Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. 分子名称: 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Bifunctional epoxide hydrolase 2 著者 Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. 登録日 2023-10-18 公開日 2024-08-14 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Exploring serial crystallography for drug discovery. Iucrj, 2024
8QRR	ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS.3) 分子名称: GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION 著者 Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. 登録日 2023-10-09 公開日 2024-08-14 実験手法 ELECTRON MICROSCOPY (2.78 Å) 主引用文献 Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
8QWG	Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. 分子名称: Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL 著者 Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. 登録日 2023-10-19 公開日 2024-08-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Exploring serial crystallography for drug discovery. Iucrj, 2024
8ET3	Cryo-EM structure of a delivery complex containing the SspB adaptor, an ssrA-tagged substrate, and the AAA+ ClpXP protease 分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, ... 著者 Ghanbarpour, A, Fei, X, Davis, J.H, Sauer, R.T. 登録日 2022-10-16 公開日 2023-01-25 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 The SspB adaptor drives structural changes in the AAA+ ClpXP protease during ssrA-tagged substrate delivery. Proc.Natl.Acad.Sci.USA, 120, 2023
8EU4	Escherichia coli pyruvate kinase A301S 分子名称: Pyruvate kinase, SULFATE ION 著者 Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F. 登録日 2022-10-18 公開日 2023-01-18 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth To Be Published
8EZI	A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with separated sulfite and NPN 分子名称: 1,2-ETHANEDIOL, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, CALCIUM ION, ... 著者 Gatreddi, S, Hausinger, R.P, Hu, J. 登録日 2022-10-31 公開日 2023-01-25 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor. Acs Catalysis, 13, 2023
7NNQ	Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine dinucleotide phosphate (NADP+) 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Gupta, P, Mendes, V, Blundell, T.L. 登録日 2021-02-25 公開日 2021-06-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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
8QRP	ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS.1) 分子名称: GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION 著者 Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. 登録日 2023-10-09 公開日 2024-08-14 実験手法 ELECTRON MICROSCOPY (2.7 Å) 主引用文献 Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
6DOT	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 40 s at 21 C 分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved 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 (1.423 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
8QRU	ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the intermediate outward-facing state (iOFS-down) 分子名称: GLUTAMINE, Neutral amino acid transporter B(0) 著者 Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. 登録日 2023-10-09 公開日 2024-08-14 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
4KJZ	Crystal Structure of Thermus Thermophilus IF2, Apo and GDP-bound Forms (2-474) 分子名称: GUANOSINE-5'-DIPHOSPHATE, Translation initiation factor IF-2 著者 Eiler, D.R, Lin, J, Steitz, T.A. 登録日 2013-05-04 公開日 2013-09-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Initiation factor 2 crystal structure reveals a different domain organization from eukaryotic initiation factor 5B and mechanism among translational GTPases. Proc.Natl.Acad.Sci.USA, 110, 2013
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
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
8QRS	ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the intermediate outward-facing state (iOFS-up) 分子名称: GLUTAMINE, Neutral amino acid transporter B(0) 著者 Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. 登録日 2023-10-09 公開日 2024-08-14 実験手法 ELECTRON MICROSCOPY (2.86 Å) 主引用文献 Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
6DQD	LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid 分子名称: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Horton, J.R, Cheng, X. 登録日 2018-06-10 公開日 2019-06-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.987 Å) 主引用文献 To be determined To Be Published
8QVL	Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. 分子名称: 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, Bifunctional epoxide hydrolase 2, DIMETHYL SULFOXIDE, ... 著者 Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. 登録日 2023-10-18 公開日 2024-08-14 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Exploring serial crystallography for drug discovery. Iucrj, 2024
8EZH	A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with sulfite-NPN adduct 分子名称: (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ... 著者 Gatreddi, S, Hausinger, R.P, Hu, J. 登録日 2022-10-31 公開日 2023-01-25 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor. Acs Catalysis, 13, 2023
4KLX	Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation. 分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydrofolate reductase 著者 Dias, M.V.B, Tyrakis, P, Blundell, T.L. 登録日 2013-05-07 公開日 2013-12-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs. Structure, 22, 2014
6DR0	Class 5 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor 分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION 著者 Hite, R.K, Paknejad, N. 登録日 2018-06-11 公開日 2018-08-01 最終更新日 2018-08-15 実験手法 ELECTRON MICROSCOPY (4.47 Å) 主引用文献 Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3. Nat. Struct. Mol. Biol., 25, 2018
8QRO	ASCT2 trimer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS) 分子名称: GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION 著者 Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. 登録日 2023-10-09 公開日 2024-08-14 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024

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