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PDB: 17068 件

6H0U
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Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor
分子名称: (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, CHLORIDE ION, GLYCEROL, ...
著者Marcovich, I, Demitri, N, De Zorzi, R, Storici, P.
登録日2018-07-10
公開日2019-05-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.
Chemmedchem, 14, 2019
8OZ3
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Crystal structure of scFv ATOR 1017 bound to human 4-1BB
分子名称: Single chain Fv, Tumor necrosis factor receptor superfamily member 9
著者Hakansson, M, Von Schantz, L, Rose, N.
登録日2023-05-08
公開日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1.
Cancer Immunol.Immunother., 72, 2023
4Z2K
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BU of 4z2k by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 32
分子名称: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate, Chitinase B, GLYCEROL
著者Maita, N, Sugawara, A, Sunazuka, T.
登録日2015-03-30
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
8T7Y
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BU of 8t7y by Molmil
Structure of SARS CoV-2 main protease in complex with Chymostatin.
分子名称: 3C-like proteinase nsp5, Chymostatin A (bound form)
著者Terzyan, S, Yarla, N, Rao, C.V, Mooers, B.
登録日2023-06-21
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of SARS CoV-2 main protease in complex with Chymostatin.
to be published
6GZF
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BU of 6gzf by Molmil
Xi Class GST from Natrialba magadii
分子名称: Glutathione S-transferase, SULFATE ION
著者Di Matteo, A, Federici, L, Masulli, M, Carletti, E, Cassidy, J, Paradisi, F, Di Ilio, C, Allocati, N.
登録日2018-07-04
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.614 Å)
主引用文献Structural Characterization of the Xi Class Glutathione Transferase From the Haloalkaliphilic ArchaeonNatrialba magadii.
Front Microbiol, 10, 2019
8T83
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X-ray crystal structure of PfA-M1(M462K)
分子名称: Aminopeptidase N, GLYCEROL, ZINC ION
著者Yang, W, Drinkwater, N, Webb, C.T, McGowan, S.
登録日2023-06-21
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
8T7C
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Crystal structure of human phospholipase C gamma 2
分子名称: 1,2-ETHANEDIOL, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2, CALCIUM ION
著者Chen, Y, Choi, H, Zhuang, N, Hu, L, Qian, D, Wang, J.
登録日2023-06-20
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal and cryo-EM structures of PLCg2 reveal dynamic inter-domain recognitions in autoinhibition
To Be Published
8T7P
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BU of 8t7p by Molmil
X-ray crystal structure of PfA-M1(M462S)
分子名称: Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ...
著者Yang, W, Drinkwater, N, Webb, C.T, McGowan, S.
登録日2023-06-21
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
4Z2H
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BU of 4z2h by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 29
分子名称: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate, CHLORIDE ION, Chitinase B, ...
著者Maita, N, Sugawara, A, Sunazuka, T.
登録日2015-03-30
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
6H43
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Flavin-dependent Tryptophan 6-halogenase Thal
分子名称: GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ...
著者Moritzer, A, Minges, H, Frese, M, Sewald, N, Niemann, H.H.
登録日2018-07-20
公開日2018-12-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based switch of regioselectivity in the flavin-dependent tryptophan 6-halogenase Thal.
J. Biol. Chem., 294, 2019
8OZO
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BU of 8ozo by Molmil
Populus tremula stable protein 1 with N-terminal binding peptide extension
分子名称: Stable protein 1
著者Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N.
登録日2023-05-09
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties
Small Science, 2024
8SWC
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BU of 8swc by Molmil
RNase H complex with ASO (OOO) and RNA
分子名称: CALCIUM ION, PHOSPHATE ION, PO ASO, ...
著者Cho, Y.-J, Iwamoto, N.
登録日2023-05-18
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of RNase H/RNA/PO-ASO complex at an atomic level
To Be Published
4ZH0
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BU of 4zh0 by Molmil
Structure of Helicobacter pylori adhesin BabA determined by SeMet SAD
分子名称: Outer membrane protein-adhesin
著者Howard, T.D, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H.
登録日2015-04-24
公開日2015-08-19
最終更新日2015-12-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
8P1R
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BU of 8p1r by Molmil
Bifidobacterium asteroides alpha-L-fucosidase (TT1819) catalytic mutant.
分子名称: 1,2-ETHANEDIOL, Bifidobacterium asteroides alpha-L-fucosidase (TT1819) catalytic mutant, MAGNESIUM ION
著者Owen, C.D, Penner, M, Gascuena, A.N, Wu, H, Hernando, P.J, Monaco, S, Le Gall, G, Gardner, R, Ndeh, D, Urbanowicz, P.A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
登録日2023-05-12
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.659 Å)
主引用文献Exploring sequence, structure and function of microbial fucosidases from glycoside hydrolase GH29 family
To Be Published
4ZX8
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BU of 4zx8 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b
分子名称: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZUT
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BU of 4zut by Molmil
Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-GW12
分子名称: Beta-2-microglobulin, Classical MHC class I antigen, GLY-SER-GLN-LYS-LEU-THR-THR-GLY-ASN-CYS-ASN-TRP
著者Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C.
登録日2015-05-17
公開日2016-04-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles
J Immunol., 196, 2016
4ZZN
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BU of 4zzn by Molmil
Human ERK2 in complex with an inhibitor
分子名称: 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION
著者Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K.
登録日2015-04-10
公開日2015-05-27
最終更新日2015-08-26
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
8OZ4
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BU of 8oz4 by Molmil
Populus tremula stable protein 1 with an alternate crystal lattice
分子名称: Stable protein 1
著者Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N.
登録日2023-05-08
公開日2024-03-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties
Small Science, 2024
8OZS
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BU of 8ozs by Molmil
Populus tremula stable protein 1 with N-terminal binding peptide extension with hemin
分子名称: Stable protein 1
著者Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N.
登録日2023-05-09
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties
Small Science, 2023
8THY
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BU of 8thy by Molmil
Yeast actin A167E mutant rabbit-like
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
著者Volkmann, N, Hanein, D.
登録日2023-07-18
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献yeast actin A167E mutant rabbit-like
To Be Published
8THX
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BU of 8thx by Molmil
Yeast actin A167E mutant wt-like
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
著者Volkmann, N, Hanein, D.
登録日2023-07-18
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献yeast actin A167E mutant wt-like
To Be Published
2ZBR
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BU of 2zbr by Molmil
Crystal structure of ribosomal protein L11 methyltransferase from Thermus thermophilus in complex with S-adenosyl-ornithine
分子名称: Ribosomal protein L11 methyltransferase, SINEFUNGIN
著者Kaminishi, T, Sakai, H, Takemoto-Hori, C, Terada, T, Nakagawa, N, Maoka, N, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-10-26
公開日2008-11-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of ribosomal protein L11 methyltransferase from Thermus thermophilus
To be Published
8TMV
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BU of 8tmv by Molmil
HTLV-1 capsid protein N-terminal domain triclinic crystal form with phosphate ion
分子名称: PHOSPHATE ION, capsid protein p24
著者Yu, R.J, Li, N, Jacques, D.A.
登録日2023-07-31
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献HTLV-1 capsid protein N-terminal domain triclinic crystal form with phosphate ion
To Be Published
8OQ2
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Binding of NADP to a formate dehydrogenase from Starkeya novella.
分子名称: AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Partipilo, M, Whittaker, J.J, Pontillo, N, Guskov, A, Slotboom, D.J.
登録日2023-04-10
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Binding of NADP to a formate dehydrogenase from Starkeya novella.
To Be Published
8TI3
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Yeast actin wild type
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
著者Volkmann, N, Hanein, D.
登録日2023-07-19
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献yeast actin wild type
To Be Published

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件を2024-08-28に公開中

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