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7B24
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BU of 7b24 by Molmil
DtxR-like iron-dependent regulator IdeR (P39G variant) complexed with cobalt and its consensus DNA-binding sequence
分子名称: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, consensus DNA-binding sequence
著者Maurer, D, Marcos-Torres, F.J, Griese, J.J.
登録日2020-11-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B1Y
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BU of 7b1y by Molmil
DtxR-like iron-dependent regulator IdeR complexed with cobalt and its consensus DNA-binding sequence
分子名称: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, consensus DNA-binding sequence
著者Maurer, D, Marcos-Torres, F.J, Griese, J.J.
登録日2020-11-25
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B23
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BU of 7b23 by Molmil
DtxR-like iron-dependent regulator IdeR complexed with cobalt and the SACE_2689 promoter DNA-binding sequence
分子名称: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, SACE_2689 promoter DNA-binding sequence
著者Maurer, D, Marcos-Torres, F.J, Griese, J.J.
登録日2020-11-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B1V
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BU of 7b1v by Molmil
DtxR-like iron-dependent regulator IdeR complexed with cobalt
分子名称: COBALT (II) ION, DtxR family iron (Metal) dependent repressor
著者Maurer, D, Marcos-Torres, F.J, Griese, J.J.
登録日2020-11-25
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B20
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BU of 7b20 by Molmil
DtxR-like iron-dependent regulator IdeR complexed with iron and its consensus DNA-binding sequence
分子名称: DtxR family iron (Metal) dependent repressor, FE (II) ION, consensus DNA-binding sequence
著者Maurer, D, Marcos-Torres, F.J, Griese, J.J.
登録日2020-11-25
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B25
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BU of 7b25 by Molmil
DtxR-like iron-dependent regulator IdeR (Q43A variant) complexed with cobalt and its consensus DNA-binding sequence
分子名称: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, consensus DNA-binding sequence
著者Maurer, D, Marcos-Torres, F.J, Griese, J.J.
登録日2020-11-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
6N5N
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BU of 6n5n by Molmil
Structure of Human pir-miRNA-208a Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
著者Shoffner, G.M, Peng, Z, Guo, F.
登録日2018-11-22
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.951 Å)
主引用文献Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N87
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BU of 6n87 by Molmil
Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide
分子名称: Apical membrane antigen-1, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, backbone-cyclised peptide bcRON2hp
著者McGowan, S, Drinkwater, N.
登録日2018-11-28
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.588 Å)
主引用文献Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe.
ChemMedChem, 14, 2019
7B27
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BU of 7b27 by Molmil
RBD domain SARS-CoV2 in complex with neutralizing nanobody NM1230
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Surface glycoprotein, neutralizing nanobody NM1230
著者Ostertag, E, Zocher, G, Stehle, T.
登録日2020-11-26
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献NeutrobodyPlex-monitoring SARS-CoV-2 neutralizing immune responses using nanobodies.
Embo Rep., 22, 2021
2OUE
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BU of 2oue by Molmil
Crystal structure of a junctionless all-RNA hairpin ribozyme at 2.05 angstroms resolution
分子名称: COBALT HEXAMMINE(III), Loop A ribozyme strand, Loop B S-turn strand, ...
著者Wedekind, J.E.
登録日2007-02-10
公開日2007-03-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer.
Biochemistry, 45, 2006
6OQP
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BU of 6oqp by Molmil
U-AITx-Ate1
分子名称: SER-LYS-TRP-ILE-CYS-ALA-ASN-ARG-SER-VAL-CYS-PRO-ILE
著者Elnahriry, K.A, Wai, D.C.C, Norton, R.S.
登録日2019-04-28
公開日2019-07-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and functional characterisation of a novel peptide from the Australian sea anemone Actinia tenebrosa.
Toxicon, 168, 2019
6OC1
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BU of 6oc1 by Molmil
Crystal structure of human DHODH with TAK-632
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Durst, M.A, Lavie, A.
登録日2019-03-21
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
7APS
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BU of 7aps by Molmil
The Fk1 domain of FKBP51 in complex with (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid
分子名称: (2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
登録日2020-10-19
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
7APT
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BU of 7apt by Molmil
The Fk1 domain of FKBP51 in complex with ((1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)acetic acid
分子名称: 2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
登録日2020-10-19
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.131 Å)
主引用文献Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
7APQ
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BU of 7apq by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
登録日2020-10-19
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
7APW
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BU of 7apw by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
登録日2020-10-20
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
6P79
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BU of 6p79 by Molmil
Engineered single chain antibody C9+C14 ScFv
分子名称: Engineered antibody heavy chain, Engineered antibody light chain
著者Zhang, Y, Li, W, Marshall, N.
登録日2019-06-05
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.583 Å)
主引用文献Computer-based Engineering of Thermostabilized Antibody Fragments.
Aiche J, 66, 2020
4IKC
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BU of 4ikc by Molmil
Crystal Structure of catalytic domain of PTPRQ
分子名称: CHLORIDE ION, Phosphotidylinositol phosphatase PTPRQ, SULFATE ION
著者Yu, K.R, Ryu, S.E, Kim, S.J.
登録日2012-12-26
公開日2013-07-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural basis for the dephosphorylating activity of PTPRQ towards phosphatidylinositide substrates
Acta Crystallogr.,Sect.D, 69, 2013
8AXW
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BU of 8axw by Molmil
The structure of mouse AsterC (GramD1c) with Ezetimibe
分子名称: (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, CHLORIDE ION, ETHANOL, ...
著者Fairall, L, Xiao, X, Burger, L, Tontonoz, P, Schwabe, J.W.R.
登録日2022-09-01
公開日2023-09-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake.
Science, 382, 2023
4QY8
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BU of 4qy8 by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb6D8) in complex with 3D7-MSP2 14-30
分子名称: Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2
著者Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S.
登録日2014-07-24
公開日2015-06-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.353 Å)
主引用文献Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
6PZS
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BU of 6pzs by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JR005
分子名称: 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide, CHLORIDE ION, Hdac6 protein, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZR
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BU of 6pzr by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with Resminostat
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, IODIDE ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6Q0Z
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BU of 6q0z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
分子名称: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide, Hdac6 protein, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
8BAH
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BU of 8bah by Molmil
Human Mre11-Nbs1 complex
分子名称: Double-strand break repair protein MRE11, MANGANESE (II) ION, Nibrin
著者Bartho, J.D, Rotheneder, M, Stakyte, K, Lammens, K, Hopfner, K.P.
登録日2022-10-11
公開日2023-01-11
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (4.13 Å)
主引用文献Cryo-EM structure of the Mre11-Rad50-Nbs1 complex reveals the molecular mechanism of scaffolding functions.
Mol.Cell, 83, 2023
6PZO
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BU of 6pzo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with YX-153
分子名称: Hdac6 protein, N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020

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件を2024-06-26に公開中

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