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7OA6
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BU of 7oa6 by Molmil
Pseudo-atomic model for Hsp26 residues 63 to 214. Please be advised that the target map is not of sufficient resolution to unambiguously position backbone or side chain atoms. This model represents a likely fit.
分子名称: Heat shock protein 26
著者Muehlhofer, M, Peters, C, Kriehuber, T, Kreuzeder, M, Kazman, P, Rodina, N, Reif, B, Haslbeck, M, Weinkauf, S, Buchner, J.
登録日2021-04-19
公開日2021-11-24
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Phosphorylation activates the yeast small heat shock protein Hsp26 by weakening domain contacts in the oligomer ensemble.
Nat Commun, 12, 2021
6WBS
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Human CFTR first nucleotide binding domain with dF508/V510D
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D.
登録日2020-03-27
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.857 Å)
主引用文献Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
7O7I
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BU of 7o7i by Molmil
Crystal structure of the human HIPK3 kinase domain
分子名称: 1,2-ETHANEDIOL, Homeodomain-interacting protein kinase 3
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
7O7J
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Crystal structure of the human HIPK3 kinase domain bound to abemaciclib
分子名称: Homeodomain-interacting protein kinase 3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
6VTX
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Crystal structure of human KLF4 zinc finger DNA binding domain in complex with NANOG DNA
分子名称: DNA (5'-D(*AP*GP*GP*GP*GP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*CP*AP*CP*CP*CP*CP*CP*T)-3'), Krueppel-like factor 4, ...
著者Sharma, R, Sharma, S, Choi, K.J, Ferreon, A.C.M, Ferreon, J.C, Sankaran, B, MacKenzie, K.R, Kim, C.
登録日2020-02-13
公開日2021-09-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization.
Nat Commun, 12, 2021
7NZC
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First SH3 domain of POSH (Plenty of SH3 Domains protein)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase SH3RF1
著者Palencia, A, Bessa, L.M, Jensen, M.R.
登録日2021-03-23
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.111 Å)
主引用文献Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NRB
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Re-refinement of MK3-inhibitor complex
分子名称: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3
著者Croll, T.I, Read, R.J.
登録日2021-03-03
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Adaptive Cartesian and torsional restraints for interactive model rebuilding.
Acta Crystallogr D Struct Biol, 77, 2021
6VK2
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NMR solution structure of Grb2-SH2 domain at pH 7
分子名称: Growth factor receptor-bound protein 2
著者Sanches, K, Caruso, I.P, Melo, F.A, Almeida, F.C.L.
登録日2020-01-18
公開日2020-07-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The dynamics of free and phosphopeptide-bound Grb2-SH2 reveals two dynamically independent subdomains and an encounter complex with fuzzy interactions.
Sci Rep, 10, 2020
7NUY
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BU of 7nuy by Molmil
New polymorhp of proteinase K obtained by free interface diffusion technique
分子名称: Proteinase K, SULFATE ION
著者Gavira, J.A, Artusio, F, Castellvi, A, Pisano, R.
登録日2021-03-15
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Tuning Transport Phenomena in Agarose Gels for the Control of Protein Nucleation Density and Crystal Form
Crystals, 2021
6WE6
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BU of 6we6 by Molmil
Camphor bound P450cam D251E structure
分子名称: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Amaya, J.A, Poulos, T.L, Batabyal, D.
登録日2020-04-01
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
7OGC
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BU of 7ogc by Molmil
GTPase HRAS under 650 MPa pressure
分子名称: GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7OGA
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BU of 7oga by Molmil
GTPase HRAS under 200 MPa pressure
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Colloc'h, N.C, Kalbitzer, H.R, Girard, E, Prange, T.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7OGD
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BU of 7ogd by Molmil
GTPase HRAS mutant D33K under ambient pressure
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
6WLX
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BU of 6wlx by Molmil
PAK4 kinase domain in complex with beta-catenin Ser675 substrate peptide
分子名称: Catenin beta-1, Serine/threonine-protein kinase PAK 4
著者Chetty, A.K, Ha, B.H, Boggon, T.J.
登録日2020-04-20
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Recognition of physiological phosphorylation sites by p21-activated kinase 4.
J.Struct.Biol., 211, 2020
7NUZ
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BU of 7nuz by Molmil
Proteinase K structure at atomic resolution from crystals grown in agarose gel
分子名称: GLYCEROL, MAGNESIUM ION, NITRATE ION, ...
著者Gavira, J.A, Artusio, F, Castellvi, A, Pisano, R.
登録日2021-03-15
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Tuning Transport Phenomena in Agarose Gels for the Control of Protein Nucleation Density and Crystal Form
Crystals, 2021
6WNY
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BU of 6wny by Molmil
Crystal structure of BACE1 in complex with (Z)-fluoro-olefin containing compound 15
分子名称: 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile, Beta-secretase 1, IODIDE ION
著者Whittington, D.A.
登録日2020-04-23
公開日2020-06-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The development of a structurally distinct series of BACE1 inhibitors via the (Z)-fluoro-olefin amide bioisosteric replacement.
Bioorg.Med.Chem.Lett., 30, 2020
7NRY
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BU of 7nry by Molmil
Re-refinement of MAPKAP kinase-2/inhibitor complex 3fyj
分子名称: (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, CHLORIDE ION, MALONIC ACID, ...
著者Croll, T.I, Read, R.J.
登録日2021-03-04
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Adaptive Cartesian and torsional restraints for interactive model rebuilding.
Acta Crystallogr D Struct Biol, 77, 2021
7OG9
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BU of 7og9 by Molmil
GTPase HRAS under ambient pressure
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Colloc'h, N, Girard, E, Prange, T, Kalbitzer, H.R.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7OGB
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BU of 7ogb by Molmil
GTPase HRAS under 500 MPa pressure
分子名称: GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7OGF
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BU of 7ogf by Molmil
GTPase HRAS mutant D33K under 900 MPa pressure
分子名称: GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7OGE
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BU of 7oge by Molmil
GTPase HRAS mutant D33K under 200 MPa pressure
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
6X0B
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BU of 6x0b by Molmil
Crystal Structure of Thioredoxin NaTrxh from Nicotiana alata
分子名称: 1,2-ETHANEDIOL, Thioredoxin H
著者Gonzalez-Segura, L, Torres-Rodriguez, M.D, Cruz-Garcia, F.
登録日2020-05-15
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献High resolution crystal structure of NaTrxh from Nicotiana alata and its interaction with the S-RNase.
J.Struct.Biol., 212, 2020
6WK3
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BU of 6wk3 by Molmil
Engineered carbene transferase RmaNOD Q52V, putative nitric oxide dioxygenase from Rhodothermus marinus
分子名称: ACETATE ION, COPPER (II) ION, Nitric oxide dioxygenase, ...
著者Knight, A.M, Arnold, F.H.
登録日2020-04-15
公開日2020-07-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks.
Acs Catalysis, 10, 2020
7O2O
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Lysozyme structure from microfluidic-based in situ data collection
分子名称: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION
著者Gardais, A, Chavas, L.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.833 Å)
主引用文献Manufacturing of Ultra-Thin X-ray-Compatible COC Microfluidic Devices for Optimal In Situ Macromolecular Crystallography Experiments.
Micromachines (Basel), 13, 2022
6WNF
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The Crystal Structure of Apo Domain-Swapped Dimer Q108K:K40D:T53A:R58L:Q38F:Q4F:F57H Variant of HCRBPII
分子名称: ACETATE ION, GLYCEROL, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2020-04-22
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020

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件を2024-08-07に公開中

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