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5EZU
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BU of 5ezu by Molmil
Crystal structure of the N-terminal domain of vaccinia virus immunomodulator A46 in complex with myristic acid.
分子名称: MYRISTIC ACID, Protein A46
著者Fedosyuk, S, Bezerra, G.A, Sammito, M, Uson, I, Skern, T.
登録日2015-11-26
公開日2016-11-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Vaccinia Virus Immunomodulator A46: A Lipid and Protein-Binding Scaffold for Sequestering Host TIR-Domain Proteins.
PLoS Pathog., 12, 2016
4XYM
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BU of 4xym by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with coenzyme A, Ca-AMPCP and HgCl+
分子名称: CALCIUM ION, CHLORIDE ION, COENZYME A, ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-02
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 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
7VEG
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BU of 7veg by Molmil
Understanding NH-pi interaction between Gln and Phe
分子名称: (2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide, ACETYLAMINO-ACETIC ACID, peptide
著者Fan, S, Xu, F.
登録日2021-09-08
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.385 Å)
主引用文献Structural Achievability of an NH-pi Interaction between Gln and Phe in a Crystal Structure of a Collagen-like Peptide.
Biomolecules, 12, 2022
5EXX
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BU of 5exx by Molmil
AAA+ ATPase FleQ from Pseudomonas aeruginosa bound to c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, Transcriptional regulator FleQ
著者Navarro, M.V.A.S, Sondermann, H, Krasteva, P.V.
登録日2015-11-24
公開日2016-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.311 Å)
主引用文献Mechanistic insights into c-di-GMP-dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XFY
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BU of 4xfy by Molmil
Structure of the native full-length dehydrated HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, PENTAETHYLENE GLYCOL
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2014-12-29
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability.
Science, 349, 2015
6SLU
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BU of 6slu by Molmil
Structure of the native full-length HIV-1 capsid protein A92E in helical assembly (-13,11)
分子名称: Gag protein
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2019-08-20
公開日2020-09-09
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
4KWW
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BU of 4kww by Molmil
The crystal structure of human quinolinic acid phosphoribosyltransferase in complex with its inhibitor phthalic acid
分子名称: Nicotinate-nucleotide pyrophosphorylase [carboxylating], PHTHALIC ACID
著者Malik, S.S, Dimeka, P.N, Ncube, Z, Toth, E.A.
登録日2013-05-24
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal structure of human quinolinic acid phosphoribosyltransferase in complex with its inhibitor phthalic acid.
Proteins, 82, 2014
6SO1
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BU of 6so1 by Molmil
Fragment N13569a in complex with MAP kinase p38-alpha
分子名称: 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, CHLORIDE ION, MAGNESIUM ION, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-28
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
6SOI
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BU of 6soi by Molmil
Fragment N13788a in complex with MAP kinase p38-alpha
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-29
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
6SOT
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BU of 6sot by Molmil
Fragment N11290a in complex with MAP kinase p38-alpha
分子名称: 1,2-ETHANEDIOL, 1-(4-methylphenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-29
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
7KOD
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BU of 7kod by Molmil
Cryo-EM structure of heavy chain mouse apoferritin
分子名称: Ferritin heavy chain
著者Sun, M, Azumaya, C, Tse, E, Frost, A, Southworth, D, Verba, K.A, Cheng, Y, Agard, D.A.
登録日2020-11-08
公開日2020-12-16
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (1.655 Å)
主引用文献Practical considerations for using K3 cameras in CDS mode for high-resolution and high-throughput single particle cryo-EM.
J.Struct.Biol., 213, 2021
4XRL
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BU of 4xrl by Molmil
Crystal structure at room temperature of Erk2 in complex with an inhibitor
分子名称: 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, Mitogen-activated protein kinase 1, SULFATE ION
著者Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
登録日2015-01-21
公開日2016-03-23
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
5F47
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BU of 5f47 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with trehalose
分子名称: CALCIUM ION, CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ...
著者Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-03
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
6SBA
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BU of 6sba by Molmil
Crystal Structure of mTEAD with a VGL4 Tertiary Structure Mimetic
分子名称: ACETYL GROUP, GLYCEROL, Transcriptional enhancer factor TEF-3, ...
著者Adihou, H, Grossmann, T.N, Waldmann, H, Gasper, R.
登録日2019-07-19
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A protein tertiary structure mimetic modulator of the Hippo signalling pathway.
Nat Commun, 11, 2020
3O9S
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BU of 3o9s by Molmil
Effector domain of influenza A/PR/8/34 NS1
分子名称: Nonstructural protein 1
著者Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M.
登録日2010-08-04
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain.
Plos One, 6, 2011
6SLM
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BU of 6slm by Molmil
Crystal structure of full-length HPV31 E6 oncoprotein in complex with LXXLL peptide of ubiquitin ligase E6AP
分子名称: GLYCEROL, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, ...
著者Conrady, M, Gogl, G, Cousido-Siah, A, Mitschler, A, Trave, G, Simon, C.
登録日2019-08-20
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of High-Risk Papillomavirus 31 E6 Oncogenic Protein and Characterization of E6/E6AP/p53 Complex Formation.
J.Virol., 95, 2020
4XNC
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BU of 4xnc by Molmil
Crystal structure at room temperature of cyclophilin D in complex with an inhibitor
分子名称: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
著者Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
登録日2015-01-15
公開日2015-08-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4XYL
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BU of 4xyl by Molmil
Ca. Korarchaeum cryptofilum ACD1 in complex with coenzyme A
分子名称: CHLORIDE ION, COENZYME A, alpha subunit of Acyl-CoA synthetase (NDP forming), ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-02
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 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
6SMU
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BU of 6smu by Molmil
Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,12)
分子名称: Gag protein
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2019-08-22
公開日2020-09-09
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
5FB1
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BU of 5fb1 by Molmil
Crystal Structure of a PHD finger bound to histone H3 K9me3 peptide
分子名称: MALONATE ION, Nuclear autoantigen Sp-100, Peptide from Histone H3, ...
著者Li, H, Zhang, X.
登録日2015-12-13
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multifaceted Histone H3 Methylation and Phosphorylation Readout by the Plant Homeodomain Finger of Human Nuclear Antigen Sp100C
J.Biol.Chem., 291, 2016
6SL9
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BU of 6sl9 by Molmil
High resolution apo structure of isomerase PaaG
分子名称: Enoyl-CoA hydratase/carnithine racemase, GLYCEROL
著者Saleem-Batcha, R, Spieker, M, Teufel, R.
登録日2019-08-19
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 14, 2019
2VKW
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BU of 2vkw by Molmil
Human NCAM, FN3 domains 1 and 2
分子名称: NEURAL CELL ADHESION MOLECULE 1,140 KDA ISOFORM, SULFATE ION
著者Carafoli, F, Saffell, J.L, Hohenester, E.
登録日2008-01-04
公開日2008-02-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Tandem Fibronectin Type 3 Domains of Neural Cell Adhesion Molecule
J.Mol.Biol., 377, 2008
7BUM
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BU of 7bum by Molmil
mcGAS bound with pGpA
分子名称: ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, ...
著者Wang, B, Su, X.D.
登録日2020-04-07
公開日2020-09-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.047 Å)
主引用文献Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP.
Cell Rep, 32, 2020
6SO4
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BU of 6so4 by Molmil
Fragment RZ132 in complex with MAP kinase p38-alpha
分子名称: (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide, CHLORIDE ION, MAGNESIUM ION, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-29
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
7BVL
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BU of 7bvl by Molmil
Crystal structure of glucose isomerase delivered in wheat starch
分子名称: MAGNESIUM ION, Xylose isomerase
著者Nam, K.H.
登録日2020-04-11
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Polysaccharide-Based Injection Matrix for Serial Crystallography.
Int J Mol Sci, 21, 2020

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