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8HF8
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BU of 8hf8 by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist V1
分子名称: 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
著者Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
登録日2022-11-09
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
5XLS
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BU of 5xls by Molmil
Crystal structure of UraA in occluded conformation
分子名称: 12-TUNGSTOPHOSPHATE, URACIL, Uracil permease
著者Yu, X.Z, Yang, G.H, Yan, C.Y, Yan, N.
登録日2017-05-11
公開日2017-07-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dimeric structure of the uracil:proton symporter UraA provides mechanistic insights into the SLC4/23/26 transporters
Cell Res., 27, 2017
6PBT
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BU of 6pbt by Molmil
Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 2 hours
分子名称: 1,2-ETHANEDIOL, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者McFarlane, J.S, Lamb, A.L.
登録日2019-06-14
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
5XJZ
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BU of 5xjz by Molmil
Structure of DNA1-Ag complex
分子名称: DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE
著者Liu, H.H, Gan, J.H.
登録日2017-05-04
公開日2017-12-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
6PBN
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BU of 6pbn by Molmil
Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 1 hour
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, ...
著者McFarlane, J.S, Lamb, A.L.
登録日2019-06-14
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
6P1L
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BU of 6p1l by Molmil
Crystal structure of EGFR in complex with EAI045
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Heppner, D.E, Eck, M.J.
登録日2019-05-20
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6PBM
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BU of 6pbm by Molmil
Pseudopaline Dehydrogenase with NADP+ bound
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pseudopaline Dehydrogenase
著者McFarlane, J.S, Lamb, A.L.
登録日2019-06-14
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
6P1D
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BU of 6p1d by Molmil
Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor
分子名称: 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Heppner, D.E, Eck, M.J.
登録日2019-05-19
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
4M59
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BU of 4m59 by Molmil
Crystal structure of the pentatricopeptide repeat protein PPR10 in complex with an 18-nt psaJ RNA element
分子名称: Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA
著者Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N.
登録日2013-08-08
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural basis for the modular recognition of single-stranded RNA by PPR proteins.
Nature, 504, 2013
3BQJ
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BU of 3bqj by Molmil
VA387 polypeptide
分子名称: va387 polypeptide
著者Bu, W, Mamedova, A, Tan, M, Jiang, J, Hegde, R.
登録日2007-12-20
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
3BYY
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BU of 3byy by Molmil
Manipulating the coupled folding and binding process drives affinity maturation in a protein-protein complex
分子名称: Enterotoxin type C-3, SULFATE ION, T cell receptor beta chain 8.2
著者Cho, S, Eric, J.S.
登録日2008-01-16
公開日2009-05-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Manipulating the coupled folding and binding process drives affinity maturation in a protein-protein complex
To be Published
3BZD
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BU of 3bzd by Molmil
Manipulating the coupled folding and binding process drives affinity maturation in a protein-protein complex
分子名称: Enterotoxin type C-3, SULFATE ION, T cell receptor beta chain 8.2
著者Cho, S.
登録日2008-01-17
公開日2009-05-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Manipulating the coupled folding and binding process drives affinity maturation in a protein-protein complex
To be Published
3CB8
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BU of 3cb8 by Molmil
4Fe-4S-Pyruvate formate-lyase activating enzyme in complex with AdoMet and a peptide substrate
分子名称: FORMIC ACID, IRON/SULFUR CLUSTER, Pyruvate formate-lyase 1-activating enzyme, ...
著者Vey, J.L, Drennan, C.L.
登録日2008-02-21
公開日2008-10-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural basis for glycyl radical formation by pyruvate formate-lyase activating enzyme.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BVG
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BU of 3bvg by Molmil
Manipulating the coupled folding and binding process drives affinity maturation in a protein-protein complex
分子名称: Enterotoxin type C-3, ZINC ION
著者Cho, S, Eric, J.S.
登録日2008-01-07
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Assessing energetic contributions to binding from a disordered region in a protein-protein interaction
Biochemistry, 49, 2010
3C0C
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BU of 3c0c by Molmil
X-ray Crystal Structure of the Rat Endophilin A2 SH3 Domain
分子名称: Endophilin-A2
著者Loll, P.J, Swain, E.
登録日2008-01-19
公開日2008-03-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the SH3 domain of rat endophilin A2
To be Published
3C8F
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BU of 3c8f by Molmil
4Fe-4S-Pyruvate formate-lyase Activating Enzyme with partially disordered AdoMet
分子名称: IRON/SULFUR CLUSTER, Pyruvate formate-lyase 1-activating enzyme, TRIETHYLENE GLYCOL, ...
著者Vey, J.L, Drennan, C.L.
登録日2008-02-11
公開日2008-10-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for glycyl radical formation by pyruvate formate-lyase activating enzyme.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BYT
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BU of 3byt by Molmil
A complex between a variant of staphylococcal enterotoxin C3 and the variable domain of the murine T cell receptor beta chain 8.2
分子名称: Enterotoxin type C-3, T cell receptor beta chain 8.2
著者Cho, S, Eric, J.S.
登録日2008-01-16
公開日2009-05-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Manipulating the coupled folding and binding process drives affinity maturation in a protein-protein complex
To be Published
6FV1
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BU of 6fv1 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Zhang, L, Hilgenfeld, R.
登録日2018-02-28
公開日2019-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
5XNE
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BU of 5xne by Molmil
X-ray Crystal Structure of alpha-acetolactate decarboxylase from Bacillus subtilis strain 168
分子名称: Alpha-acetolactate decarboxylase, ZINC ION
著者Ji, F, Li, M, Feng, Y.
登録日2017-05-22
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structural and enzymatic characterization of acetolactate decarboxylase from Bacillus subtilis
Appl. Microbiol. Biotechnol., 102, 2018
8P6H
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BU of 8p6h by Molmil
Bovine naive ultralong antibody AbBLV5B8* collected at 100K
分子名称: Antibody BLV5B8* heavy chain, Antibody BLV5B8* light chain
著者Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J.
登録日2023-05-26
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The impact of chain-exchange on bovine ultralong immunoglobulins.
Acta Crystallographica Section F, 2023
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
分子名称: Spike protein S1, scFv
著者Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
登録日2022-08-27
公開日2023-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8H3X
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BU of 8h3x by Molmil
Bacteroide Fragilis Toxin in complex with nanobody 282
分子名称: Fragilysin, ZINC ION, nanobody 282
著者Wen, Y, Guo, Y.
登録日2022-10-09
公開日2023-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Front Immunol, 14, 2023
8H3Y
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Bacteroide Fragilis Toxin in complex with nanobody 327
分子名称: Fragilysin, Nanobody 327, ZINC ION
著者Wen, Y, Guo, Y.
登録日2022-10-09
公開日2023-02-08
最終更新日2023-03-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Front Immunol, 14, 2023
4MJS
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BU of 4mjs by Molmil
crystal structure of a PB1 complex
分子名称: 1,2-ETHANEDIOL, Protein kinase C zeta type, Sequestosome-1
著者Ren, J, Wang, Z.X, Wu, J.W.
登録日2013-09-04
公開日2014-08-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and biochemical insights into the homotypic PB1-PB1 complex between PKC zeta and p62
Sci China Life Sci, 57, 2014
6XOG
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BU of 6xog by Molmil
Structure of SUMO1-ML786519 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021

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