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8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
分子名称: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8BA6
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BU of 8ba6 by Molmil
Structure of the FK1 domain of the FKBP51 G64S variant in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
分子名称: (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Hausch, F.
登録日2022-10-11
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
8BAJ
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BU of 8baj by Molmil
Structure of the FK1 domain of the FKBP51 G64S variant in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Hausch, F.
登録日2022-10-11
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
8BSG
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BU of 8bsg by Molmil
COMPLEX OF LEPORINE SERUM ALBUMIN WITH DICLOFENAC
分子名称: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ...
著者Bujacz, A, Talaj, J, Zielinski, K.
登録日2022-11-25
公開日2023-02-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Int J Mol Sci, 24, 2023
8BR9
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BU of 8br9 by Molmil
Stapled peptide SP24 in complex with humanised RadA mutant HumRadA22
分子名称: 4,6-diethylpyrimidin-2-amine, ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility protein, ...
著者Pantelejevs, T, Hyvonen, M.
登録日2022-11-22
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
8BJ7
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BU of 8bj7 by Molmil
Desulfovibrio desulfuricans FeFe Hydrogenase C178A mutant in Hinact-like state
分子名称: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ...
著者Bikbaev, K, Span, I.
登録日2022-11-03
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases.
Chem Sci, 14, 2023
8BJ8
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BU of 8bj8 by Molmil
Desulfovibrio desulfuricans FeFe Hydrogenase C178A mutant in Htrans-like state
分子名称: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ...
著者Bikbaev, K, Span, I.
登録日2022-11-03
公開日2023-04-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases.
Chem Sci, 14, 2023
8BS8
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BU of 8bs8 by Molmil
Bovine naive ultralong antibody AbD08 collected at 100K
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heavy chain, Light chain
著者Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J.
登録日2022-11-24
公開日2023-05-24
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The impact of exchanging the light and heavy chains on the structures of bovine ultralong antibodies.
Acta Crystallogr.,Sect.F, 80, 2024
8BBY
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BU of 8bby by Molmil
VarB H/L (SLPL/SLPH) complex from C. difficile SlpA (R20291 strain)
分子名称: S-layer protein, SODIUM ION
著者Barwinska-Sendra, A, Salgado, P.S.
登録日2022-10-14
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An intact S-layer is advantageous to Clostridioides difficile within the host.
Plos Pathog., 19, 2023
2I3H
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BU of 2i3h by Molmil
Structure of an ML-IAP/XIAP chimera bound to a 4-mer peptide (AVPW)
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AVPW peptide, ...
著者Fairbrother, W.J, Franklin, M.C.
登録日2006-08-18
公開日2006-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs.
Acs Chem.Biol., 1, 2006
2I3I
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BU of 2i3i by Molmil
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
分子名称: (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Fairbrother, W.J, Franklin, M.C.
登録日2006-08-18
公開日2006-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs.
Acs Chem.Biol., 1, 2006
8BAG
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BU of 8bag by Molmil
Copper(II) bound to a non-canonical quadruplex containing the damaged base 8-oxoguanine
分子名称: COBALT HEXAMMINE(III), COPPER (II) ION, DNA (5'-D(*(8OG)P*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-10-11
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Oxidative damage induce copper(II)-DNA binding
To Be Published
8BAE
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BU of 8bae by Molmil
Copper(II) bound to a non-canonical quadruplex
分子名称: COBALT HEXAMMINE(III), COPPER (II) ION, DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-10-11
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Oxidative damage induce copper(II)-DNA binding
To Be Published
8B7P
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BU of 8b7p by Molmil
Crystal structure of an AA9 LPMO from Aspergillus nidulans, AnLPMOC
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Endo-beta-1,4-glucanase D
著者Males, A, Rafael Fanchini Terrasan, C, Davies, G.J, Walton, P.H.
登録日2022-09-30
公開日2023-10-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Characterisation of lytic polysaccharide monooxygenases from Aspergillus nidulans
To Be Published
8BAF
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BU of 8baf by Molmil
Non-canonical quadruplex containing the oxidation product 8-oxoguanine
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*(8OG)P*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-10-11
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Oxidative damage induce copper(II)-DNA binding
To Be Published
2HH5
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BU of 2hh5 by Molmil
Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
分子名称: CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ...
著者Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S.
登録日2006-06-27
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.
Bioorg.Med.Chem.Lett., 16, 2006
8C9J
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BU of 8c9j by Molmil
Crystal structure of human NQO1 by serial femtosecond crystallography
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A.
登録日2023-01-23
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
8C3N
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BU of 8c3n by Molmil
Stapled peptide SP30 in complex with humanised RadA mutant HumRadA22
分子名称: 4,6-diethylpyrimidin-2-amine, ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility protein, ...
著者Pantelejevs, T, Hyvonen, M.
登録日2022-12-27
公開日2023-03-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
8COM
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BU of 8com by Molmil
Structure of the Nucleosome Core Particle from Trypanosoma brucei
分子名称: Histone H2A, Histone H2B, Histone H3, ...
著者Burdett, H, Deak, G, Wilson, M.D.
登録日2023-02-28
公開日2023-07-12
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Histone divergence in trypanosomes results in unique alterations to nucleosome structure.
Nucleic Acids Res., 51, 2023
8CPH
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BU of 8cph by Molmil
Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 (inactive form)
分子名称: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-03-02
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
8AH5
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BU of 8ah5 by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P212121 at pH 4.6
分子名称: ACETATE ION, cDNA FLJ50577, highly similar to Discs large homolog 4
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2022-07-20
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献pH-Driven Polymorphic Behaviour of the Third PDZ Domain of PSD95: The Role of Electrostatic Interactions
Crystals, 2023
8AH6
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BU of 8ah6 by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P21 at pH 4.0
分子名称: ACETATE ION, cDNA FLJ50577, highly similar to Discs large homolog 4
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2022-07-20
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献pH-Driven Polymorphic Behaviour of the Third PDZ Domain of PSD95: The Role of Electrostatic Interactions
Crystals, 2023
8AH7
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BU of 8ah7 by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P212121 at pH 4.0
分子名称: SULFATE ION, cDNA FLJ50577, highly similar to Discs large homolog 4
著者Camara-Artigas, A, Salinas-Garcia, M.C.
登録日2022-07-20
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献pH-Driven Polymorphic Behaviour of the Third PDZ Domain of PSD95: The Role of Electrostatic Interactions
Crystals, 2023
8AH4
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BU of 8ah4 by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P3112 at pH 4.0
分子名称: ACETATE ION, cDNA FLJ50577, highly similar to Discs large homolog 4
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2022-07-20
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献pH-Driven Polymorphic Behaviour of the Third PDZ Domain of PSD95: The Role of Electrostatic Interactions
Crystals, 2023
8AH8
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BU of 8ah8 by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P3121 at pH 3.7
分子名称: cDNA FLJ50577, highly similar to Discs large homolog 4
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2022-07-20
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献pH-Driven Polymorphic Behaviour of the Third PDZ Domain of PSD95: The Role of Electrostatic Interactions
Crystals, 2023

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件を2024-09-25に公開中

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