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4N2G
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BU of 4n2g by Molmil
Crystal structure of Protein Arginine Deiminase 2 (D169A, 10 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-04
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N28
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BU of 4n28 by Molmil
Crystal structure of Protein Arginine Deiminase 2 (1 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-04
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.879 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N5G
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Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012
分子名称: 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha
著者Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C.
登録日2013-10-09
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
4N2K
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BU of 4n2k by Molmil
Crystal structure of Protein Arginine Deiminase 2 (Q350A, 0 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-05
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
7YVC
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BU of 7yvc by Molmil
Aplysia californica FaNaC in apo state
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Chen, Q.F, Liu, F.L, Dang, Y, Feng, H, Zhang, Z, Ye, S.
登録日2022-08-19
公開日2023-08-09
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and mechanism of a neuropeptide-activated channel in the ENaC/DEG superfamily.
Nat.Chem.Biol., 19, 2023
7YVB
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BU of 7yvb by Molmil
Aplysia californica FaNaC in ligand bound state
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, FMRFamide-gated Na+ channel, ...
著者Chen, Q.F, Liu, F.L, Dang, Y, Feng, H, Zhang, Z, Ye, S.
登録日2022-08-19
公開日2023-08-09
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure and mechanism of a neuropeptide-activated channel in the ENaC/DEG superfamily.
Nat.Chem.Biol., 19, 2023
4N26
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BU of 4n26 by Molmil
Crystal structure of Protein Arginine Deiminase 2 (500 uM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-04
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N2L
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BU of 4n2l by Molmil
Crystal structure of Protein Arginine Deiminase 2 (Q350A, 10 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-05
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N2B
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BU of 4n2b by Molmil
Crystal structure of Protein Arginine Deiminase 2 (10 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-04
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N2C
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BU of 4n2c by Molmil
Crystal structure of Protein Arginine Deiminase 2 (F221/222A, 10 mM Ca2+)
分子名称: CALCIUM ION, Protein-arginine deiminase type-2
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-04
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.022 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4I0T
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BU of 4i0t by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
分子名称: N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4LN5
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BU of 4ln5 by Molmil
Crystal structure of a trap periplasmic solute binding protein from burkholderia ambifaria (Bamb_6123), TARGET EFI-510059, with bound glycerol and chloride ion
分子名称: CHLORIDE ION, GLYCEROL, TRAP dicarboxylate transporter, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-07-11
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
7XM5
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BU of 7xm5 by Molmil
Keap1 Kelch domain (residues 322-609) in complex with 6i
分子名称: Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide
著者Xu, K.
登録日2022-04-24
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
7XM4
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BU of 7xm4 by Molmil
Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6e
分子名称: Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide
著者Xu, K.
登録日2022-04-24
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
7XM3
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BU of 7xm3 by Molmil
Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6k
分子名称: Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
著者Xu, K.
登録日2022-04-24
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
7XM2
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BU of 7xm2 by Molmil
Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with NXPZ-2
分子名称: 2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide, Kelch-like ECH-associated protein 1
著者Xu, K.
登録日2022-04-24
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
7X6W
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BU of 7x6w by Molmil
SFTSV 2 fold hexamer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sun, Z, Lou, Z.
登録日2022-03-08
公開日2023-07-19
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (5.18 Å)
主引用文献Architecture of severe fever with thrombocytopenia syndrome virus.
Protein Cell, 14, 2023
7X6U
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BU of 7x6u by Molmil
SFTSV 3 fold hexmer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sun, Z, Lou, Z.
登録日2022-03-08
公開日2023-08-16
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Architecture of severe fever with thrombocytopenia syndrome virus.
Protein Cell, 14, 2023
7X72
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BU of 7x72 by Molmil
SFTSV 5 fold pentamer
分子名称: Envelopment polyprotein, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sun, Z, Lou, Z.
登録日2022-03-08
公開日2023-08-16
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Architecture of severe fever with thrombocytopenia syndrome virus.
Protein Cell, 14, 2023
7XQ8
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BU of 7xq8 by Molmil
Structure of human B-cell antigen receptor of the IgM isotype
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, ...
著者Chen, M.Y, Su, Q, Shi, Y.G.
登録日2022-05-07
公開日2022-08-17
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the human IgM B cell receptor.
Science, 377, 2022
7D7F
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BU of 7d7f by Molmil
Structure of PKD1L3-CTD/PKD2L1 in calcium-bound state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Polycystic kidney disease 2-like 1 protein, ...
著者Su, Q, Shi, Y.G.
登録日2020-10-03
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for Ca 2+ activation of the heteromeric PKD1L3/PKD2L1 channel.
Nat Commun, 12, 2021
5ODD
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BU of 5odd by Molmil
HUMAN MED26 N-TERMINAL DOMAIN (1-92)
分子名称: Mediator of RNA polymerase II transcription subunit 26
著者Lens, Z, Cantrelle, F.-X, Perruzini, R, Dewitte, F, Hanoulle, X, Villeret, V, Verger, A, Landrieu, I.
登録日2017-07-05
公開日2017-11-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献1H, 15N and 13C assignments of the N-terminal domain of the Mediator complex subunit MED26.
Biomol.Nmr Assign., 10, 2016
4IC6
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BU of 4ic6 by Molmil
Crystal structure of Deg8
分子名称: Protease Do-like 8, chloroplastic
著者Gong, W, Sun, W, Fan, H, Gao, F, Liu, L.
登録日2012-12-10
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structures of Arabidopsis Deg5 and Deg8 reveal new insights into HtrA proteases
Acta Crystallogr.,Sect.D, 69, 2013
4IC5
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Crystal structure of Deg5
分子名称: CALCIUM ION, Protease Do-like 5, chloroplastic
著者Gong, W, Sun, W, Fan, H, Gao, F, Liu, L.
登録日2012-12-10
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.607 Å)
主引用文献The structures of Arabidopsis Deg5 and Deg8 reveal new insights into HtrA proteases
Acta Crystallogr.,Sect.D, 69, 2013

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