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4N4X
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BU of 4n4x by Molmil
Crystal Structure of the MBP fused human SPLUNC1 (native form)
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein
著者Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G.
登録日2013-10-08
公開日2014-09-17
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Lipid ligands of human SPLUNC1
To be Published
4KEG
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BU of 4keg by Molmil
Crystal Structure of MBP Fused Human SPLUNC1
分子名称: MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein, octyl beta-D-glucopyranoside
著者Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G.
登録日2013-04-25
公開日2014-04-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Lipid Ligands of the SPLUNC1 Protein
To be Published
4FD3
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BU of 4fd3 by Molmil
Crystal structure of apo-formed ymtOAR1
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase
著者Zhang, Y, Gao, Y, Ning, F, Niu, L, Teng, M.
登録日2012-05-26
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of apo-formed ymtOAR1
To be Published
3PFR
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BU of 3pfr by Molmil
Crystal structure of D-Glucarate dehydratase related protein from Actinobacillus Succinogenes complexed with D-Glucarate
分子名称: D-GLUCARATE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein
著者Fedorov, A.A, Fedorov, E.V, Mills-Groninger, F, Ghasempur, S, Gerlt, J.A, Almo, S.C.
登録日2010-10-29
公開日2011-11-02
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Crystal structure of D-Glucarate dehydratase related protein from Actinobacillus Succinogenes complexed with D-Glucarate
To be Published
3QPE
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BU of 3qpe by Molmil
Crystal structure of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with D-Galacturonate and 5-keto-4-deoxy-D-Galacturonate
分子名称: 4-deoxy-L-threo-hex-5-ulosuronic acid, D-galacturonic acid, GLYCEROL, ...
著者Fedorov, A.A, Fedorov, E.V, Mills-Groninger, F, Gerlt, J.A, Almo, S.C.
登録日2011-02-12
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Crystal structure of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with D-Galacturonate and 5-keto-4-deoxy-D-Galacturonate
To be Published
4Z7U
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BU of 4z7u by Molmil
S13 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ...
著者Petersen, J, Rossjohn, J, Reid, H.H, Koning, F.
登録日2015-04-08
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Determinants of Gliadin-Specific T Cell Selection in Celiac Disease.
J Immunol., 194, 2015
4Z7W
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BU of 4z7w by Molmil
T316 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ8-glia-alpha1, MHC class II HLA-DQ-alpha chain, ...
著者Petersen, J, Rossjohn, J, Reid, H.H, Koning, F.
登録日2015-04-08
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Determinants of Gliadin-Specific T Cell Selection in Celiac Disease.
J Immunol., 194, 2015
4Z7V
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BU of 4z7v by Molmil
L3-12 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ...
著者Petersen, J, Rossjohn, J, Reid, H.H, Koning, F.
登録日2015-04-08
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Determinants of Gliadin-Specific T Cell Selection in Celiac Disease.
J Immunol., 194, 2015
4ZM5
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BU of 4zm5 by Molmil
Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P mutant
分子名称: CHLORIDE ION, Chain length determinant protein, MAGNESIUM ION
著者Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R.
登録日2015-05-02
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
4ZM1
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BU of 4zm1 by Molmil
Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - wild type
分子名称: CITRIC ACID, Chain length determinant protein, MAGNESIUM ION
著者Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R.
登録日2015-05-02
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
7R2V
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BU of 7r2v by Molmil
Structure of nsp14 from SARS-CoV-2 in complex with SAH
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Proofreading exoribonuclease nsp14, ...
著者Czarna, A, Plewka, J, Kresik, L, Matsuda, A, Abdulkarim, K, Robinson, C, OByrne, S, Cunningham, F, Georgiou, I, Pachota, M, Popowicz, G.M, Wyatt, P.G, Dubin, G, Pyrc, K.
登録日2022-02-06
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity.
Structure, 30, 2022
6Y2I
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BU of 6y2i by Molmil
Crystal structure of M. tuberculosis KasA in complex with N-(1H-indazol-5-yl)butane-1-sulfonamide
分子名称: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 1, SODIUM ION, ...
著者Chung, C.
登録日2020-02-16
公開日2020-04-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.533 Å)
主引用文献Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
6Y2J
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BU of 6y2j by Molmil
Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide, SODIUM ION, ...
著者Chung, C.
登録日2020-02-16
公開日2020-04-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.886 Å)
主引用文献Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
6AVS
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BU of 6avs by Molmil
Complex structure of JMJD5 and Symmetric Monomethyl-Arginine (MMA)
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, Lysine-specific demethylase 8, ZINC ION
著者Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G.
登録日2017-09-04
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
6AX3
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BU of 6ax3 by Molmil
Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA)
分子名称: 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ...
著者Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G.
登録日2017-09-06
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
5DMG
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BU of 5dmg by Molmil
X-RAY STRUCTURE OF THE FAB FRAGMENT OF THE ANTI TAU ANTIBODY RB86 IN COMPLEX WITH THE PHOSPHORYLATED TAU PEPTIDE (416-430)
分子名称: Microtubule-associated protein, RB86 antibody Fab fragment heavy chain, RB86 antibody Fab fragment light chain
著者Benz, J, Lorenz, S, Georges, G, Jochner, A, Goepfert, U, Grueninger, F, Bujotzek, A.
登録日2015-09-08
公開日2015-12-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献VH-VL orientation prediction for antibody humanization candidate selection: A case study.
Mabs, 8, 2016
5KSB
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BU of 5ksb by Molmil
T15-DQ8.5-glia-gamma1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DQ8.5-glia-gamma1 peptide, ...
著者Petersen, J, Rossjohn, J, Reid, H.H.
登録日2016-07-08
公開日2016-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.
Structure, 24, 2016
5KS9
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BU of 5ks9 by Molmil
Bel502-DQ8-glia-alpha1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bel502 TCR alpha TRAV20*01, Bel502 TCR beta TRBV9*01, ...
著者Petersen, J, Rossjohn, J, Reid, H.H.
登録日2016-07-08
公開日2016-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.
Structure, 24, 2016
5KSA
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BU of 5ksa by Molmil
Bel602-DQ8.5-glia-gamma1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bel602 alpha TRAV20*01, Bel602 beta TRBV9*01, ...
著者Petersen, J, Rossjohn, J, Reid, H.H.
登録日2016-07-08
公開日2016-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.
Structure, 24, 2016
4OZH
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BU of 4ozh by Molmil
S16 protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Gliadin-alpha2 peptide, ...
著者Petersen, J, Reid, H.H, Rossjohn, J.
登録日2014-02-16
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
4OZF
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BU of 4ozf by Molmil
JR5.1 protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ...
著者Petersen, J, Reid, H.H, Rossjohn, J.
登録日2014-02-15
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
4OZI
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BU of 4ozi by Molmil
S2 protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HLA class II histocompatibility antigen, ...
著者Petersen, J, Reid, H.H, Rossjohn, J.
登録日2014-02-16
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
3PJC
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Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity within the Janus kinase family
分子名称: 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione, Tyrosine-protein kinase JAK3
著者Tavares, G.A, Thoma, G, Zerwes, H.-G, Kroemer, M.
登録日2010-11-09
公開日2010-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of a Potent Janus Kinase 3 Inhibitor with High Selectivity within the Janus Kinase Family.
J.Med.Chem., 54, 2011
4OZG
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D2 protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Petersen, J, Reid, H.H, Rossjohn, J.
登録日2014-02-16
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
4GG6
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Protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ...
著者Broughton, S.E, Theodossis, A, Petersen, J, Reid, H.H, Rossjohn, J.
登録日2012-08-06
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Biased T cell receptor usage directed against human leukocyte antigen DQ8-restricted gliadin peptides is associated with celiac disease.
Immunity, 37, 2012

 

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