Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7DID
DownloadVisualize
BU of 7did by Molmil
Mycoplasma genitalium RNase R in complex with ribose methylated single-stranded RNA
分子名称: MAGNESIUM ION, RNA (5'-R(*AP*AP*AP*A)-3'), Ribonuclease R
著者Abula, A, Quan, X, Li, X, Yang, T, Li, T, Chen, Q, Ji, X.
登録日2020-11-18
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular mechanism of RNase R substrate sensitivity for RNA ribose methylation.
Nucleic Acids Res., 49, 2021
8WGN
DownloadVisualize
BU of 8wgn by Molmil
Human dihydrofolate reductase (HsDHFR) complexed with NADPH and LA1
分子名称: (3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Decharuangsilp, S, Arwon, U, Yuthavong, Y, Kamchonwongpaisan, S.
登録日2023-09-22
公開日2024-09-11
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flexible 2,4-diaminopyrimidine bearing a butyrolactone as Plasmodium falciparum dihydrofolate reductase inhibitors.
Bioorg.Chem., 153, 2024
8WGM
DownloadVisualize
BU of 8wgm by Molmil
Quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S, N51I+C59R+S108N+I164L) complexed with LA1, NADPH and dUMP
分子名称: (3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Arwon, U, Decharuangsilp, S, Yuthavong, Y, Kamchonwongpaisan, S.
登録日2023-09-22
公開日2024-09-11
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Flexible 2,4-diaminopyrimidine bearing a butyrolactone as Plasmodium falciparum dihydrofolate reductase inhibitors.
Bioorg.Chem., 153, 2024
8YQ8
DownloadVisualize
BU of 8yq8 by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S) complexed with FB8, NADPH and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[4-[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxybutoxy]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D, Saeyang, T, Arwon, U, Hoarau, M, Decharuangsilp, S, Kamchonwongpaisan, S, Yuthavong, Y.
登録日2024-03-19
公開日2024-09-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel flexible biphenyl Pf DHFR inhibitors with improved antimalarial activity.
Rsc Med Chem, 15, 2024
8YQ9
DownloadVisualize
BU of 8yq9 by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S) complexed with FB6, NADPH and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[4-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D, Saeyang, T, Arwon, U, Hoarau, M, Decharuangsilp, S, Kamchonwongpaisan, S, Yuthavong, Y.
登録日2024-03-19
公開日2024-09-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel flexible biphenyl Pf DHFR inhibitors with improved antimalarial activity.
Rsc Med Chem, 15, 2024
7XI7
DownloadVisualize
BU of 7xi7 by Molmil
Human dihydrofolate reductase complexed with P39
分子名称: 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION
著者Vanichtanankul, J, Saeyang, T, Kamchonwongpaisan, S, Yuvaniyama, J, Yuthavong, Y.
登録日2022-04-12
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
7FGX
DownloadVisualize
BU of 7fgx by Molmil
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
登録日2021-07-28
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
7FGY
DownloadVisualize
BU of 7fgy by Molmil
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
登録日2021-07-28
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
7FGW
DownloadVisualize
BU of 7fgw by Molmil
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ...
著者Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
登録日2021-07-28
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
4NIE
DownloadVisualize
BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Ma, Y.L, Yang, L.Q.
登録日2013-11-06
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
6KJX
DownloadVisualize
BU of 6kjx by Molmil
Galectin-13 variant C138S
分子名称: Galactoside-binding soluble lectin 13
著者Su, J.
登録日2019-07-23
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
8YBR
DownloadVisualize
BU of 8ybr by Molmil
Choline transporter BetT
分子名称: BCCT family transporter
著者Yang, T.J, Nian, Y.W, Lin, H.J, Li, J, Zhang, J.R, Fan, M.R.
登録日2024-02-16
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献Structure and mechanism of the osmoregulated choline transporter BetT.
Sci Adv, 10, 2024
8YBQ
DownloadVisualize
BU of 8ybq by Molmil
Choline transporter BetT - CHT bound
分子名称: BCCT family transporter, CHOLINE ION
著者Yang, T.J, Nian, Y.W, Lin, H.J, Li, J, Zhang, J.R, Fan, M.R.
登録日2024-02-16
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structure and mechanism of the osmoregulated choline transporter BetT.
Sci Adv, 10, 2024
6INH
DownloadVisualize
BU of 6inh by Molmil
A glycosyltransferase with UDP and the substrate
分子名称: 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ...
著者Zhu, X.
登録日2018-10-25
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6ING
DownloadVisualize
BU of 6ing by Molmil
A complex structure of H25A mutant of glycosyltransferase with UDP
分子名称: GLYCEROL, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
著者Zhu, X, Naismith, J.H.
登録日2018-10-25
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6KJY
DownloadVisualize
BU of 6kjy by Molmil
Galectin-13 variant C136S/C138S
分子名称: Galactoside-binding soluble lectin 13
著者Su, J.
登録日2019-07-23
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
6KJW
DownloadVisualize
BU of 6kjw by Molmil
Galectin-13 variant C136S
分子名称: Galactoside-binding soluble lectin 13
著者Su, J.
登録日2019-07-23
公開日2019-10-16
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
7FIC
DownloadVisualize
BU of 7fic by Molmil
Reversible lysine-targeted probes reveal residence time-based kinase selectivity in vivo
分子名称: 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A, CHLORIDE ION
著者Craven, G.B, Wan, X.B, Taunton, J.
登録日2021-07-31
公開日2022-06-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Reversible lysine-targeted probes reveal residence time-based kinase selectivity.
Nat.Chem.Biol., 18, 2022
2QSY
DownloadVisualize
BU of 2qsy by Molmil
Human nicotinamide riboside kinase 1 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nicotinamide riboside kinase 1, ...
著者Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC)
登録日2007-07-31
公開日2007-08-14
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+).
Plos Biol., 5, 2007
2QT1
DownloadVisualize
BU of 2qt1 by Molmil
Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside
分子名称: Nicotinamide riboside, Nicotinamide riboside kinase 1, PHOSPHATE ION, ...
著者Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC)
登録日2007-07-31
公開日2007-08-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+).
Plos Biol., 5, 2007
2QSZ
DownloadVisualize
BU of 2qsz by Molmil
Human nicotinamide riboside kinase 1 in complex with nicotinamide mononucleotide
分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, CHLORIDE ION, Nicotinamide riboside kinase 1, ...
著者Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC)
登録日2007-07-31
公開日2007-08-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+).
Plos Biol., 5, 2007
6KIH
DownloadVisualize
BU of 6kih by Molmil
Sucrose-phosphate synthase (tll1590) from Thermosynechococcus elongatus
分子名称: 6-O-phosphono-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Tll1590 protein, URIDINE-5'-DIPHOSPHATE
著者Su, J.
登録日2019-07-18
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Co-crystal Structure ofThermosynechococcus elongatusSucrose Phosphate Synthase With UDP and Sucrose-6-Phosphate Provides Insight Into Its Mechanism of Action Involving an Oxocarbenium Ion and the Glycosidic Bond.
Front Microbiol, 11, 2020
6L40
DownloadVisualize
BU of 6l40 by Molmil
Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo
分子名称: ATP-dependent Clp protease proteolytic subunit, [(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid
著者Luo, Y.F, Bao, R, Ju, Y, He, L.H.
登録日2019-10-15
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.
J.Med.Chem., 63, 2020
6LDQ
DownloadVisualize
BU of 6ldq by Molmil
Sucrose-phosphate synthase (tll1590)_27_220_406_426_from Thermosynechococcus elongatus (twinned)
分子名称: THIOCYANATE ION, Tll1590 protein
著者Su, J.
登録日2019-11-22
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Co-crystal Structure ofThermosynechococcus elongatusSucrose Phosphate Synthase With UDP and Sucrose-6-Phosphate Provides Insight Into Its Mechanism of Action Involving an Oxocarbenium Ion and the Glycosidic Bond.
Front Microbiol, 11, 2020
6L3X
DownloadVisualize
BU of 6l3x by Molmil
Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo
分子名称: ATP-dependent Clp protease proteolytic subunit, [(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid
著者Luo, Y.F, Bao, R, Ju, Y, He, L.H.
登録日2019-10-15
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3054 Å)
主引用文献Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.
J.Med.Chem., 63, 2020

225946

件を2024-10-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon