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9B5Z
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GluA2 flip Q in complex with TARPgamma2 at pH8, consensus structure of LBD-TMD-TARPgamma2
分子名称: Isoform Flip of Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
著者Nakagawa, T, Greger, I.H.
登録日2024-03-23
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Proton-triggered rearrangement of the AMPA receptor N-terminal domains impacts receptor kinetics and synaptic localization
To Be Published
9BBM
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BU of 9bbm by Molmil
PHF filament generated from 4E-Tau(297-407) under neutral Mg2+ condition
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Duan, P, El Mammeri, N.
登録日2024-04-06
公開日2024-05-08
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Milligram-scale assembly and NMR fingerprint of tau fibrils adopting the Alzheimer's disease fold.
J.Biol.Chem., 300, 2024
9EP4
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BU of 9ep4 by Molmil
Structure of Integrator subcomplex INTS5/8/15
分子名称: Integrator complex subunit 15, Integrator complex subunit 5, Integrator complex subunit 8
著者Razew, M, Galej, W.P.
登録日2024-03-17
公開日2024-06-12
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of the Integrator complex assembly and association with transcription factors.
Mol.Cell, 84, 2024
9EUA
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BU of 9eua by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 23d
分子名称: (1-propylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
9B12
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BU of 9b12 by Molmil
Structure of Optineurin bound to HOIP NZF1 domain and M1-linked diubiquitin, crystal form 1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ...
著者Michel, M.A, Scutts, S, Komander, D.
登録日2024-03-12
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Linkage and substrate specificity conferred by NZF ubiquitin binding domains
To Be Published
9EU9
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BU of 9eu9 by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 15i
分子名称: (4-chloranyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
8Z5J
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BU of 8z5j by Molmil
Beta-catenin Crystal Structure
分子名称: Catenin beta-1
著者Tim, F.
登録日2024-04-18
公開日2024-05-22
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 2024
9B63
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BU of 9b63 by Molmil
GluA2 flip Q in complex with TARPgamma2 at pH5, consensus structure of TMD-TARPgamma2
分子名称: Isoform Flip of Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
著者Nakagawa, T, Greger, I.H.
登録日2024-03-23
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Proton-triggered rearrangement of the AMPA receptor N-terminal domains impacts receptor kinetics and synaptic localization
To Be Published
8ZJK
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BU of 8zjk by Molmil
Structure of DOCK5/ELMO1/Rac1 core (RhoG/DOCK5/ELMO1/Rac1 dataset, class 3)
分子名称: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
著者Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
登録日2024-05-15
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.23 Å)
主引用文献RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 300, 2024
9EY4
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BU of 9ey4 by Molmil
The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide
分子名称: (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Krajczy, P, Hausch, F.
登録日2024-04-09
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins.
Chemistry, 2024
9BH6
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BU of 9bh6 by Molmil
Human DNA polymerase theta helicase domain tetramer in the apo form
分子名称: DNA polymerase theta
著者Zerio, C.J, Lander, G.C.
登録日2024-04-19
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Human polymerase theta helicase positions DNA microhomologies for double-strand break repair
To Be Published
9F4R
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BU of 9f4r by Molmil
UP1 in complex with Z802821712
分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-6-methylpyridazin-3-amine
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9FW2
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BU of 9fw2 by Molmil
SARS CoV-2 nsp10 in complex with the ExoN domain from nsp14
分子名称: GLYCEROL, Guanine-N7 methyltransferase nsp14, Non-structural protein 11, ...
著者Fisher, S.Z.
登録日2024-06-28
公開日2024-07-10
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献SARS CoV-2 nsp10 in complex with the ExoN domain from nsp14
To Be Published
9F4M
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BU of 9f4m by Molmil
UP1 in complex with Z1401276297
分子名称: (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
8Y1D
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BU of 8y1d by Molmil
2up-TM conformation of HKU1-B S protein after incubation of the receptor
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, Spike glycoprotein, ...
著者Xia, L.Y, Zhang, Y.Y, Zhou, Q.
登録日2024-01-24
公開日2024-05-01
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for the recognition of HCoV-HKU1 by human TMPRSS2.
Cell Res., 34, 2024
9F7F
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BU of 9f7f by Molmil
UP1 in complex with Z1491353358
分子名称: (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-05-03
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
8ZM2
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BU of 8zm2 by Molmil
Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 16
分子名称: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate
著者Akai, S, Orita, T, Nomura, A, Adachi, T.
登録日2024-05-22
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Bioorg.Med.Chem.Lett., 109, 2024
9G2R
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BU of 9g2r by Molmil
Endophilin B1 dimers bound to nanodiscs
分子名称: Endophilin-B1
著者Thorlacius, A, Sundborger-Lunna, A.
登録日2024-07-11
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Endophilin B1 dimers bound to nanodiscs
To Be Published
8YD8
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BU of 8yd8 by Molmil
Structure of FADD/Caspase-8/cFLIP death effector domain assembly
分子名称: CASP8 and FADD-like apoptosis regulator subunit p43, Caspase-8, FAS-associated death domain protein
著者Lin, S.-C, Yang, C.-Y.
登録日2024-02-19
公開日2024-05-15
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Deciphering DED assembly mechanisms in FADD-procaspase-8-cFLIP complexes regulating apoptosis.
Nat Commun, 15, 2024
8YBX
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BU of 8ybx by Molmil
Structure of the FADD/Caspase-8/cFLIP death effector domain assembly
分子名称: CASP8 and FADD-like apoptosis regulator subunit p43, Caspase-8 subunit p10, FAS-associated death domain protein
著者Lin, S.-C, Yang, C.-Y.
登録日2024-02-16
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Deciphering DED assembly mechanisms in FADD-procaspase-8-cFLIP complexes regulating apoptosis.
Nat Commun, 15, 2024
9ICC
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BU of 9icc by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYADENOSINE-5'-TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DATP AND CRCL3
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CHROMIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), ...
著者Pelletier, H, Sawaya, M.R.
登録日1995-12-15
公開日1995-12-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
9B60
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BU of 9b60 by Molmil
GluA2 flip Q in complex with TARPgamma2 at pH8, consensus structure of TMD-TARPgamma2
分子名称: Isoform Flip of Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
著者Nakagawa, T, Greger, I.H.
登録日2024-03-23
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献Proton-triggered rearrangement of the AMPA receptor N-terminal domains impacts receptor kinetics and synaptic localization
To Be Published
9EMC
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BU of 9emc by Molmil
RUVBL1/2 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RuvB-like 1, ...
著者Lopez-Perrote, A, Llorca, O, Garcia-Martin, C.
登録日2024-03-11
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Mechanism of allosteric inhibition of RUVBL1-RUVBL2 by the small-molecule CB-6644
Cell Rep Phys Sci, 2024
9EUB
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BU of 9eub by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 24e
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
8Z3S
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BU of 8z3s by Molmil
Activation mechanism and novel binding site of the BKCa channel activator CTIBD
分子名称: 4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
著者Lee, N, Kim, S, Jo, H, Lee, N.Y, Jin, M.S, Park, C.S.
登録日2024-04-16
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Activation mechanism and novel binding site of the BKCa channel activator CTIBD
To Be Published

223790

件を2024-08-14に公開中

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