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PDB: 34735 件

7QAV
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Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound N-((2-(4-cyclopropylphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
分子名称: Multiple virulence factor regulator MvfR, ~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-11-17
公開日2022-11-30
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024
8TPU
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Subtomogram averaged consensus structure of the malarial 80S ribosome in Plasmodium falciparum-infected human erythrocytes
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Anton, L, Cheng, W, Zhu, X, Ho, C.M.
登録日2023-08-05
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Divergent translational landscape reflects adaptation to biased codon usage in malaria parasites
To Be Published
1CJ2
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MUTANT GLN34ARG OF PARA-HYDROXYBENZOATE HYDROXYLASE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
著者Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1999-04-21
公開日1999-04-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
5GM3
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Crystal structure of FI-CMCase from Aspergillus aculeatus F-50
分子名称: CACODYLATE ION, Endoglucanase-1, ZINC ION
著者Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-07-12
公開日2017-05-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
1TTQ
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TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF POTASSIUM AT ROOM TEMPERATURE
分子名称: POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE
著者Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R.
登録日1995-10-11
公開日1996-03-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
5BY6
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BU of 5by6 by Molmil
Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ...
著者Dowiercial, A, Jarmula, A, Rypniewski, W, Fraczyk, T, Wilk, P, Rode, W.
登録日2015-06-10
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
7OZD
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FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 34.
分子名称: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-27
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
7OZB
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FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 38.
分子名称: 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 1, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-27
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
1TTP
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TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF CESIUM, ROOM TEMPERATURE
分子名称: CESIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE
著者Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R.
登録日1995-10-11
公開日1996-03-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
1TYT
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CRYSTAL AND MOLECULAR STRUCTURE OF CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.6 ANGSTROMS RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE, OXIDIZED FORM
著者Bailey, S, Hunter, W.N.
登録日1993-06-10
公開日1994-07-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of trypanothione reductase from Crithidia fasciculata at 2.6 A resolution; enzyme-NADP interactions at 2.8 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
6UCA
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BU of 6uca by Molmil
Crystal structure of human ZCCHC4 in complex with SAH
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, rRNA N6-adenosine-methyltransferase ZCCHC4
著者Lu, J.W, Ren, W.D, Huang, M.J, Gao, L, Li, D.X, Wang, G.G, Song, J.
登録日2019-09-15
公開日2019-10-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Structure and regulation of ZCCHC4 in m6A-methylation of 28S rRNA.
Nat Commun, 10, 2019
7OZF
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BU of 7ozf by Molmil
FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 19.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Fibroblast growth factor receptor 1, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-28
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
7OZY
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FGFR2 kinase domain (residues 461-763) in complex with 38.
分子名称: 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 2, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-29
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
8BD1
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BU of 8bd1 by Molmil
Crystal structure of the RhsPWHH-RhsPI toxin-immunity pair
分子名称: SMI1/KNR4 family protein, Type IV secretion protein Rhs
著者Chao, W.C.H, Wu, H.W, Li, H.
登録日2022-10-18
公開日2022-11-30
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal structure of the RhsPWHH-RhsPI toxin-immunity pair
To Be Published
7P0L
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BU of 7p0l by Molmil
Crystal structure of S.pombe Mdb1 BRCT domains in complex with a H2A phosphopeptide
分子名称: DNA damage response protein Mdb1, Histone H2A-beta
著者Day, M, Oliver, A.W, Pearl, L.H.
登録日2021-06-29
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1.
DNA Repair (Amst), 108, 2021
6NN4
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BU of 6nn4 by Molmil
The structure of human liver pyruvate kinase, hLPYK-D499N, in complex with Fru-1,6-BP
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, PHOSPHOENOLPYRUVATE, ...
著者McFarlane, J.S, Ronnebaum, T.A, Meneely, K.M, Fenton, A.W, Lamb, A.L.
登録日2019-01-14
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond.
Acta Crystallogr.,Sect.F, 75, 2019
6A99
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BU of 6a99 by Molmil
Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-12
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6ZH2
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BU of 6zh2 by Molmil
Cryo-EM structure of DNA-PKcs (State 1)
分子名称: DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
登録日2020-06-20
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
4Q5Y
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Crystal structure of extended-Tudor 10-11 of Drosophila melanogaster
分子名称: Maternal protein tudor
著者Liu, H, Ren, R, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M.
登録日2014-04-18
公開日2014-05-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and domain organization of Drosophila Tudor
Cell Res., 24, 2014
8BLU
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BU of 8blu by Molmil
The PDZ domains of human SDCBP
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E.
登録日2022-11-10
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The PDZ domains of human SDCBP
To Be Published
3IW4
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BU of 3iw4 by Molmil
Crystal structure of PKC alpha in complex with NVP-AEB071
分子名称: 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione, Protein kinase C alpha type
著者Stark, W, Rummel, G, Strauss, A, Cowan-Jacob, S.W.
登録日2009-09-02
公開日2009-11-03
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes
J.Med.Chem., 52, 2009
6ADU
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BU of 6adu by Molmil
Crystal structure of an enzyme in complex with ligand C
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-08-02
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement.
Angew.Chem.Int.Ed.Engl., 57, 2018
6NAQ
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Crystal structure of Neisseria meningitidis ClpP protease in Apo form
分子名称: ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION
著者Houry, W.A, Mabanglo, M.F, Pai, E.F, Eger, B.T, Bryson, S.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.022 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
8BNT
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The DH domain of ARHGEF2 bound to RhoA
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, Rho guanine nucleotide exchange factor 2, ...
著者Bradshaw, W.J, Katis, V.L, Grosjean, H, Bountra, C, von Delft, F, Brennan, P.E.
登録日2022-11-25
公開日2022-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The DH domain of ARHGEF2 bound to RhoA
To Be Published
5GPG
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BU of 5gpg by Molmil
Co-crystal structure of the FK506 binding domain of human FKBP25, Rapamycin and the FRB domain of human mTOR
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP3, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, Serine/threonine-protein kinase mTOR
著者Lee, H.B, Lee, S.Y, Rhee, H.W, Lee, C.W.
登録日2016-08-02
公開日2016-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Proximity-Directed Labeling Reveals a New Rapamycin-Induced Heterodimer of FKBP25 and FRB in Live Cells
Acs Cent.Sci., 2, 2016

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件を2024-09-25に公開中

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