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7AMB
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BU of 7amb by Molmil
Crystal structure of rsFolder2 in its fluorescent on-state
分子名称: GLYCEROL, Green fluorescent protein
著者Moreno-Chicano, T, El Khatib, M, Colletier, J.-P.
登録日2020-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
4YR9
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BU of 4yr9 by Molmil
mouse TDH with NAD+ bound
分子名称: GLYCEROL, L-threonine 3-dehydrogenase, mitochondrial, ...
著者He, C, Li, F.
登録日2015-03-14
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis
J.Struct.Biol., 192, 2015
6TY4
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BU of 6ty4 by Molmil
FAK structure with AMP-PNP from single particle analysis of 2D crystals
分子名称: Focal adhesion kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D.
登録日2020-01-15
公開日2020-08-19
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (5.96 Å)
主引用文献Structural basis of Focal Adhesion Kinase activation on lipid membranes.
Embo J., 39, 2020
7LO1
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BU of 7lo1 by Molmil
FAD-dependent monooxygenase AfoD from A. nidulans
分子名称: FAD-dependent monooxygenase afoD, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Rodriguez Benitez, A, Smith, J.L, Narayan, A.R.H.
登録日2021-02-08
公開日2022-04-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Deciphering the evolution of flavin-dependent monooxygenase stereoselectivity using ancestral sequence reconstruction.
Proc.Natl.Acad.Sci.USA, 120, 2023
7BV8
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BU of 7bv8 by Molmil
Mature 50S ribosomal subunit from RrmJ knock out E.coli strain
分子名称: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
著者Wang, W, Li, W.Q, Ge, X.L, Yan, K.G, Mandava, C.S, Sanyal, S, Gao, N.
登録日2020-04-09
公開日2020-07-01
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Loss of a single methylation in 23S rRNA delays 50S assembly at multiple late stages and impairs translation initiation and elongation.
Proc.Natl.Acad.Sci.USA, 117, 2020
2RU5
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BU of 2ru5 by Molmil
Designed Armadillo Repeat Protein Fragment (MAII)
分子名称: Armadillo repeat protein C-terminal fragment
著者Zerbe, O, Christen, M.T, Plueckthun, A, Watson, R.P.
登録日2013-11-23
公開日2014-07-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Spontaneous self-assembly of engineered armadillo repeat protein fragments into a folded structure
Structure, 22, 2014
4EHK
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BU of 4ehk by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.668 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
7B9B
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BU of 7b9b by Molmil
Crystal structure of human 5' exonuclease Appollo APO form
分子名称: 5' exonuclease Apollo, NICKEL (II) ION
著者Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-12-14
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
5N2C
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BU of 5n2c by Molmil
Crystal structure of the peptidoglycan-associated lipoprotein from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, ...
著者Matterazzo, E, Bolognesi, M, Gourlay, L.J.
登録日2017-02-07
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Designing Probes for Immunodiagnostics: Structural Insights into an Epitope Targeting Burkholderia Infections.
ACS Infect Dis, 3, 2017
5N6I
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BU of 5n6i by Molmil
Crystal structure of mouse cGAS in complex with 39 bp DNA
分子名称: Cyclic GMP-AMP synthase, DNA (36-MER), DNA (37-MER), ...
著者Andreeva, L, Kostrewa, D, Hopfner, K.-P.
登録日2017-02-15
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献cGAS senses long and HMGB/TFAM-bound U-turn DNA by forming protein-DNA ladders.
Nature, 549, 2017
5N3D
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BU of 5n3d by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-(trifluoromethyl)benzenecarboximidamide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
6TPV
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BU of 6tpv by Molmil
Crystal structures of FNIII domain one and two of the human leucocyte common antigen-related protein, LAR
分子名称: IMIDAZOLE, Receptor-type tyrosine-protein phosphatase F
著者Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D.
登録日2019-12-14
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal and solution structures of fragments of the human leucocyte common antigen-related protein.
Acta Crystallogr D Struct Biol, 76, 2020
5N3S
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BU of 5n3s by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-Hydroxybenzamide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
7W5L
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BU of 7w5l by Molmil
The crystal structure of the oxidized form of Gluconobacter oxydans WSH-004 SNDH
分子名称: L-sorbosone dehydrogenase, NAD(P) dependent
著者Li, D, Hou, X.D, Rao, Y.J, Zhou, J.W, Chen, J.
登録日2021-11-30
公開日2023-01-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase.
Adv Sci, 10, 2023
4H34
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BU of 4h34 by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-13
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
To be Published
6TTV
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BU of 6ttv by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 3 (ASI_M3M_138)
分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
7CFM
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BU of 7cfm by Molmil
Cryo-EM structure of the P395-bound GPBAR-Gs complex
分子名称: 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide, CHOLESTEROL, G-protein coupled bile acid receptor 1, ...
著者Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y.
登録日2020-06-27
公開日2020-09-09
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
4WJ9
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BU of 4wj9 by Molmil
Structure of Human apo ALDH1A1
分子名称: CHLORIDE ION, Retinal dehydrogenase 1, YTTERBIUM (III) ION
著者Morgan, C.A, Hurley, T.D.
登録日2014-09-29
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Development of a high-throughput in vitro assay to identify selective inhibitors for human ALDH1A1.
Chem.Biol.Interact., 234, 2015
4WO1
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BU of 4wo1 by Molmil
Crystal structure of the DAP12 transmembrane domain in lipid cubic phase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, TYRO protein tyrosine kinase-binding protein
著者Call, M.J, Call, M.E, Knoblich, K.
登録日2014-10-15
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly.
Cell Rep, 11, 2015
4YAK
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BU of 4yak by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with coenzyme A, acetyl-coenzyme A and with phosphorylated phosphohistidine segment (site I orientation)
分子名称: ACETYL COENZYME *A, COENZYME A, alpha subunit of Acyl-CoA synthetase (NDP forming), ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-17
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.464 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4YAJ
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BU of 4yaj by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 (apo form)
分子名称: SODIUM ION, alpha subunit of Acetyl-coenzyme A synthetase (dinucleotide-forming) 3, beta subunit of Acetyl-coenzyme A synthetase (dinucleotide-forming) 3
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-17
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
6TDM
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BU of 6tdm by Molmil
Bam_5920cDD 5919nDD docking domains
分子名称: Beta-ketoacyl synthase,Beta-ketoacyl synthase
著者Risser, F, Chagot, B.
登録日2019-11-08
公開日2020-08-12
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Towards improved understanding of intersubunit interactions in modular polyketide biosynthesis: Docking in the enacyloxin IIa polyketide synthase.
J.Struct.Biol., 212, 2020
6TDD
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BU of 6tdd by Molmil
Bam_5924 docking domain
分子名称: Beta-ketoacyl synthase
著者Risser, F, Chagot, B.
登録日2019-11-08
公開日2020-08-12
最終更新日2024-07-03
実験手法SOLUTION NMR
主引用文献Towards improved understanding of intersubunit interactions in modular polyketide biosynthesis: Docking in the enacyloxin IIa polyketide synthase.
J.Struct.Biol., 212, 2020
4Y5W
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BU of 4y5w by Molmil
Transcription factor-DNA complex
分子名称: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
著者Li, J, Niu, F, Ouyang, S, Liu, Z.
登録日2015-02-12
公開日2016-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
6TDN
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BU of 6tdn by Molmil
Bam_5925cDD 5924nDD docking domains
分子名称: Beta-ketoacyl synthase,Beta-ketoacyl synthase
著者Risser, F, Chagot, B.
登録日2019-11-08
公開日2020-08-12
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Towards improved understanding of intersubunit interactions in modular polyketide biosynthesis: Docking in the enacyloxin IIa polyketide synthase.
J.Struct.Biol., 212, 2020

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