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6K98
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BU of 6k98 by Molmil
Substrates promiscuity of xyloglucanases and endoglucanases of glycoside hydrolase 12 family
分子名称: GH12 beta-1, 4-endoglucanase
著者Hong, Y, Tao, T, Pengjun, S, Jiaming, C, Xiaoyu, W, Chen, H, yingguo, B, Bin, Y.
登録日2019-06-14
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献Substrates promiscuity of xyloglucanases and endoglucanases of glycoside hydrolase 12 family
To Be Published
6K9D
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BU of 6k9d by Molmil
glycoside hydrolase family 12 (GH12) englucanase
分子名称: GH12 beta-1, 4-endoglucanase
著者Hong, Y, Tao, T, Pengjun, S, Jiaming, C, Xiaoyu, W, Chen, H, Yingguo, B, Bin, Y.
登録日2019-06-14
公開日2020-06-17
実験手法X-RAY DIFFRACTION (1.505 Å)
主引用文献Substrates promiscuity of xyloglucanases and endoglucanases of glycoside hydrolase 12 family
To Be Published
7BER
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BU of 7ber by Molmil
SFX structure of the MyD88 TIR domain higher-order assembly (solved, rebuilt and refined using an identical protocol to the MicroED structure of the MyD88 TIR domain higher-order assembly)
分子名称: Myeloid differentiation primary response protein MyD88
著者Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T.
登録日2020-12-24
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
7BEQ
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BU of 7beq by Molmil
MicroED structure of the MyD88 TIR domain higher-order assembly
分子名称: Myeloid differentiation primary response protein MyD88
著者Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T.
登録日2020-12-24
公開日2021-03-10
最終更新日2024-01-31
実験手法ELECTRON CRYSTALLOGRAPHY (3 Å)
主引用文献MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
7L6W
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BU of 7l6w by Molmil
SFX structure of the MyD88 TIR domain higher-order assembly
分子名称: Myeloid differentiation primary response protein MyD88
著者Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Flueckiger, L, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Stacey, K.J, Darmanin, C, Kobe, B, Xu, H, Ve, T.
登録日2020-12-24
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
5UZB
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BU of 5uzb by Molmil
Cryo-EM structure of the MAL TIR domain filament
分子名称: Toll/interleukin-1 receptor domain-containing adapter protein
著者Ve, T, Vajjhala, P.R, Hedger, A, Croll, T, DiMaio, F, Horsefield, S, Yu, X, Lavrencic, P, Hassan, Z, Morgan, G.P, Mansell, A, Mobli, M, O'Carrol, A, Chauvin, B, Gambin, Y, Sierecki, E, Landsberg, M.J, Stacey, K.J, Egelman, E.H, Kobe, B.
登録日2017-02-25
公開日2017-07-26
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Structural basis of TIR-domain-assembly formation in MAL- and MyD88-dependent TLR4 signaling.
Nat. Struct. Mol. Biol., 24, 2017
2LMS
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BU of 2lms by Molmil
A single GalNAc residue on Threonine-106 modifies the dynamics and the structure of Interferon alpha-2a around the glycosylation site
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Interferon alpha-2
著者Ghasriani, H, Belcourt, P.J.F, Sauve, S, Hodgson, D.J, Gingras, G, Brochu, D, Gilbert, M, Aubin, Y.
登録日2011-12-12
公開日2012-12-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A single N-acetylgalactosamine residue at threonine 106 modifies the dynamics and structure of interferon alpha2a around the glycosylation site.
J.Biol.Chem., 288, 2013
2LBG
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BU of 2lbg by Molmil
Structure of the CHR of the Prion protein in DPC Micelles
分子名称: Major prion protein
著者Sauve, S, Aubin, Y.
登録日2011-03-31
公開日2011-12-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interactions between the Conserved Hydrophobic Region of the Prion Protein and Dodecylphosphocholine Micelles.
J.Biol.Chem., 287, 2012
7Y64
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BU of 7y64 by Molmil
Cryo-EM structure of C5a-bound C5aR1 in complex with Gi protein
分子名称: C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
登録日2022-06-18
公開日2023-03-01
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y67
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BU of 7y67 by Molmil
Cryo-EM structure of C089-bound C5aR1(I116A) mutant in complex with Gi protein
分子名称: C089 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
登録日2022-06-18
公開日2023-03-01
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y65
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BU of 7y65 by Molmil
Cryo-EM structure of C5a peptide-bound C5aR1 in complex with Gi protein
分子名称: C5a anaphylatoxin chemotactic receptor 1, C5apep peptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
登録日2022-06-18
公開日2023-03-01
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y66
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BU of 7y66 by Molmil
Cryo-EM structure of BM213-bound C5aR1 in complex with Gi protein
分子名称: BM213 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
登録日2022-06-18
公開日2023-03-01
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
分子名称: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
著者Adler, M, Whitlow, M.
登録日2007-03-09
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献

2P3T
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BU of 2p3t by Molmil
Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
分子名称: 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE, CALCIUM ION, CHLORIDE ION, ...
著者Adler, M, Whitlow, M.
登録日2007-03-09
公開日2008-01-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007
1MQ6
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BU of 1mq6 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
分子名称: 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
著者Adler, M, Whitlow, M.
登録日2002-09-13
公開日2003-01-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
1MQ5
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Crystal Structure of 3-chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
分子名称: 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
著者Adler, M, Whitlow, M.
登録日2002-09-13
公開日2003-01-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
6U2W
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BU of 6u2w by Molmil
EM structure of MPEG-1(L425K) pre-pore complex bound to liposome
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
著者Pang, S.S, Bayly-Jones, C.
登録日2019-08-20
公開日2019-09-25
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1.
Nat Commun, 10, 2019
6U23
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EM structure of MPEG-1(w.t.) soluble pre-pore
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
著者Pang, S.S, Bayly-Jones, C.
登録日2019-08-19
公開日2019-09-25
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1.
Nat Commun, 10, 2019
6U2L
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BU of 6u2l by Molmil
EM structure of MPEG-1 (L425K, beta conformation) soluble pre-pore 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, Macrophage-expressed gene 1 protein
著者Pang, S.S, Bayly-Jones, C.
登録日2019-08-20
公開日2019-09-25
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1.
Nat Commun, 10, 2019
6U2K
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EM structure of MPEG-1 (L425K, alpha conformation) soluble pre-pore complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
著者Pang, S.S, Bayly-Jones, C.
登録日2019-08-20
公開日2019-09-25
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1.
Nat Commun, 10, 2019
6U2J
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BU of 6u2j by Molmil
EM structure of MPEG-1 (L425K, alpha conformation) soluble pre-pore 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, Macrophage-expressed gene 1 protein
著者Pang, S.S, Bayly-Jones, C.
登録日2019-08-20
公開日2019-09-25
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1.
Nat Commun, 10, 2019
6DGT
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BU of 6dgt by Molmil
Selective PI3K beta inhibitor bound to PI3K delta
分子名称: 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J, Villasenor, A, McGrath, M.
登録日2018-05-18
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) beta Inhibitor.
J. Med. Chem., 61, 2018
5TO8
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BU of 5to8 by Molmil
Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency
分子名称: 25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one, Protein-tyrosine kinase 2-beta
著者Newby, Z.E.
登録日2016-10-17
公開日2016-12-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9849 Å)
主引用文献Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency.
Bioorg. Med. Chem. Lett., 26, 2016
5TOB
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Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency
分子名称: N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide, Protein-tyrosine kinase 2-beta
著者Newby, Z.E.
登録日2016-10-17
公開日2017-11-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency.
Bioorg. Med. Chem. Lett., 26, 2016
4F38
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Crystal structure of geranylgeranylated RhoA in complex with RhoGDI in its active GPPNHP-bound form
分子名称: GERAN-8-YL GERAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Guo, Z, Tnimov, Z, Alexandrov, K.
登録日2012-05-09
公開日2012-05-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Quantitative Analysis of Prenylated RhoA Interaction with Its Chaperone, RhoGDI.
J.Biol.Chem., 287, 2012

 

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