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7BC2
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BAZ2A bromodomain in complex with triazole compound MS04-TN04
分子名称: 2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole, Bromodomain adjacent to zinc finger domain protein 2A
著者Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G.
登録日2020-12-18
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7B9X
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NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571
分子名称: N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, Transcription intermediary factor 1-alpha
著者Orts, J, Torres, F, Milbradt, A.G, Walser, R.
登録日2020-12-14
公開日2022-01-12
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
7BMC
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BU of 7bmc by Molmil
Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide and stabilizing Fusicoccin A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3.
Acs Chem.Biol., 17, 2022
7BM9
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BU of 7bm9 by Molmil
Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3.
Acs Chem.Biol., 17, 2022
7AUC
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BU of 7auc by Molmil
Crystal structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Chen, X, Oliver, A.W.
登録日2020-11-02
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021
7AQT
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BU of 7aqt by Molmil
NMR2 structure of BRD4-BD2 in complex with iBET-762
分子名称: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4
著者Orts, J, Torres, F, Milbradt, A.G, Walser, R.
登録日2020-10-23
公開日2022-03-02
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
7C13
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BU of 7c13 by Molmil
beta1 domain-swapped structure of monothiol cGrx1(C16S)
分子名称: Glutaredoxin, Peptide methionine sulfoxide reductase MsrA
著者Lee, K, Hwang, K.Y.
登録日2020-05-02
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Monothiol and dithiol glutaredoxin-1 from clostridium oremlandii: identification of domain-swapped structures by NMR, X-ray crystallography and HDX mass spectrometry.
Iucrj, 7, 2020
6ZVP
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BU of 6zvp by Molmil
Atomic model of the EM-based structure of the full-length tyrosine hydroxylase in complex with dopamine (residues 40-497) in which the regulatory domain (residues 40-165) has been included only with the backbone atoms
分子名称: FE (III) ION, L-DOPAMINE, Tyrosine 3-monooxygenase
著者Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I.
登録日2020-07-27
公開日2021-11-17
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
6ZZU
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BU of 6zzu by Molmil
Partial structure of the substrate-free tyrosine hydroxylase (apo-TH).
分子名称: FE (III) ION, Tyrosine 3-monooxygenase
著者Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I.
登録日2020-08-05
公開日2021-11-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
7A2G
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BU of 7a2g by Molmil
Full-length structure of the substrate-free tyrosine hydroxylase (apo-TH).
分子名称: FE (III) ION, Tyrosine 3-monooxygenase
著者Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Flydal, M.I, Martinez, A, Valpuesta, J.M.
登録日2020-08-17
公開日2021-12-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
6ZN2
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BU of 6zn2 by Molmil
Partial structure of tyrosine hydroxylase in complex with dopamine showing the catalytic domain and an alpha-helix from the regulatory domain involved in dopamine binding.
分子名称: FE (III) ION, L-DOPAMINE, SER-LEU-ILE-GLU-ASP-ALA-ARG-LYS-GLU-ARG-GLU-ALA-ALA-VAL-ALA-ALA-ALA-ALA, ...
著者Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I.
登録日2020-07-06
公開日2021-12-08
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
7AHU
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BU of 7ahu by Molmil
Anti-FX Fab of mim8 in complex with human FXa
分子名称: Anti-FX Fab of mim8 heavy chain, Anti-FX Fab of mim8 light chain, CALCIUM ION, ...
著者Johansson, E.
登録日2020-09-25
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
7AHV
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BU of 7ahv by Molmil
Anti-FIXa Fab of mim8 in complex with human FIXa
分子名称: CALCIUM ION, Coagulation factor IX, L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, ...
著者Johansson, E.
登録日2020-09-25
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
7AP7
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BU of 7ap7 by Molmil
Structure of the W64R amyloidogenic variant of human lysozyme
分子名称: Lysozyme C, SULFATE ION
著者Vettore, N, Herman, R, Kerff, F, Charlier, P, Sauvage, E, Brans, A, Morray, J, Dobson, C, Kumita, J, Dumoulin, M.
登録日2020-10-16
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Characterisation of the structural, dynamic and aggregation properties of the W64R amyloidogenic variant of human lysozyme.
Biophys.Chem., 271, 2021
7AQO
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BU of 7aqo by Molmil
yeast THO-Sub2 complex dimer
分子名称: BJ4_G0025130.mRNA.1.CDS.1, EM14S01-3B_G0007820.mRNA.1.CDS.1, TEX1 isoform 1, ...
著者Schuller, S.K, Schuller, J.M, Prabu, R.J, Baumgartner, M, Bonneau, F, basquin, J, Conti, E.
登録日2020-10-22
公開日2020-12-02
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural insights into the nucleic acid remodeling mechanisms of the yeast THO-Sub2 complex.
Elife, 9, 2020
7APX
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BU of 7apx by Molmil
yeast THO-Sub2 complex
分子名称: ATP-dependent RNA helicase SUB2, Protein TEX1, THO complex subunit 2,Tho2, ...
著者Schuller, S.K, Schuller, J.M, Prabu, R.J, Baumgartner, M, Bonneau, F, basquin, J, Conti, E.
登録日2020-10-20
公開日2020-12-02
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into the nucleic acid remodeling mechanisms of the yeast THO-Sub2 complex.
Elife, 9, 2020
7AUD
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BU of 7aud by Molmil
Structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bloom syndrome protein,Bloom syndrome protein, DNA (5'-D(*GP*TP*AP*CP*CP*CP*GP*AP*TP*GP*TP*GP*T)-3'), ...
著者Chen, X, Oliver, A.W.
登録日2020-11-02
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021
7CJI
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BU of 7cji by Molmil
Photosystem II structure in the S1 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Shen, J.-R, Suga, M.
登録日2020-07-11
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
7CJJ
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BU of 7cjj by Molmil
Photosystem II structure in the S2 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Shen, J.-R, Suga, M.
登録日2020-07-11
公開日2021-04-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
7COU
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BU of 7cou by Molmil
Structure of cyanobacterial photosystem II in the dark S1 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Shen, J.-R, Suga, M.
登録日2020-08-05
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
7CJS
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BU of 7cjs by Molmil
structure of aquaporin
分子名称: Aquaporin NIP2-1, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
著者Saitoh, Y, Ma, J.F, Suga, M.
登録日2020-07-13
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for high selectivity of a rice silicon channel Lsi1.
Nat Commun, 12, 2021
7CZL
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BU of 7czl by Molmil
Structural insights into a dimeric Psb27-photosystem II complex from a cyanobacterium Thermosynechococcus vulcanus
分子名称: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Pi, X, Huang, G, Xiao, Y.
登録日2020-09-09
公開日2021-01-20
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Structural insights into a dimeric Psb27-photosystem II complex from a cyanobacterium Thermosynechococcus vulcanus .
Proc.Natl.Acad.Sci.USA, 118, 2021
5W9Q
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BU of 5w9q by Molmil
Zinc finger region of MBD1 in complex with CpG DNA
分子名称: Methyl-CpG-binding domain protein 1, UNKNOWN ATOM OR ION, ZINC ION, ...
著者Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-06-23
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
5WOF
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BU of 5wof by Molmil
1.65 ANGSTROM STRUCTURE OF THE DYNEIN LIGHT CHAIN 1 FROM PLASMODIUM FALCIPARUM
分子名称: Dynein light chain 1, putative
著者Walker, J.R, Lew, J, Amani, M, Alam, Z, Wasney, G, Boulanger, K, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Botchkarev, A, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2017-08-02
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Genome-scale Protein Expression and Structural Biology of Plasmodium Falciparum and Related Apicomplexan Organisms.
MOL.BIOCHEM.PARASITOL., 151, 2007
8D36
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BU of 8d36 by Molmil
Crystal structure of SARS-CoV-2 fusion peptide in complex with neutralizing antibody COV44-62
分子名称: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
著者Yuan, M, Lee, C.C.D, Wilson, I.A.
登録日2022-05-31
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022

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