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5H05
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BU of 5h05 by Molmil
Crystal structure of AmyP E221Q in complex with MALTOTRIOSE
分子名称: AmyP, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者He, C, Liu, Y.
登録日2016-10-03
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of a raw-starch-degrading bacterial alpha-amylase belonging to subfamily 37 of the glycoside hydrolase family GH13
Sci Rep, 7, 2017
4GIH
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BU of 4gih by Molmil
Tyk2 (JH1) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
分子名称: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-08
公開日2013-06-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GFM
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BU of 4gfm by Molmil
JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE
分子名称: 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2
著者Eigenbrot, C, Ultsch, M.
登録日2012-08-03
公開日2013-06-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GMY
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BU of 4gmy by Molmil
JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
分子名称: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Tyrosine-protein kinase JAK2
著者Murray, J.M, Shia, S.
登録日2012-08-16
公開日2013-06-19
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GFO
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BU of 4gfo by Molmil
TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE
分子名称: 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ...
著者Eigenbrot, C, Ultsch, M.
登録日2012-08-03
公開日2013-06-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
5YSW
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BU of 5ysw by Molmil
Crystal Structure Analysis of Rif16 in complex with R-L
分子名称: (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y.
登録日2017-11-15
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
5YSM
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BU of 5ysm by Molmil
Crystal Structure Analysis of Rif16
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y.
登録日2017-11-14
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
7KX9
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BU of 7kx9 by Molmil
Cryo-EM structure of Ephydatia fluviatilis PiwiA-piRNA-target complex
分子名称: MAGNESIUM ION, Piwi-A, RNA (5'-R(P*UP*CP*UP*CP*UP*UP*GP*AP*GP*UP*UP*GP*GP*AP*CP*AP*AP*AP*UP*GP*GP*CP*AP*(OMG))-3'), ...
著者Anzelon, T.A, Chowdhury, S, Lander, G.C, MacRae, I.J.
登録日2020-12-03
公開日2021-07-14
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for piRNA targeting.
Nature, 597, 2021
7KX7
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BU of 7kx7 by Molmil
Cryo-EM structure of Ephydatia fluviatilis PiwiA-piRNA complex
分子名称: MAGNESIUM ION, Piwi-A, RNA (5'-R(P*UP*CP*UP*CP*AP*GP*(OMC))-3')
著者Anzelon, T.A, Chowdhury, S, Lander, G.C, MacRae, I.J.
登録日2020-12-03
公開日2021-07-14
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for piRNA targeting.
Nature, 597, 2021
4ZXO
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BU of 4zxo by Molmil
The structure of a GH26 beta-mannanase from Bacteroides ovatus, BoMan26A.
分子名称: Glycosyl hydrolase family 26, PHOSPHATE ION, POTASSIUM ION
著者Bagenholm, V, Aurelius, O, Logan, D.T, Bouraoui, H, Stalbrand, H.
登録日2015-05-20
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Galactomannan Catabolism Conferred by a Polysaccharide Utilization Locus of Bacteroides ovatus: ENZYME SYNERGY AND CRYSTAL STRUCTURE OF A beta-MANNANASE.
J. Biol. Chem., 292, 2017
4ZUA
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BU of 4zua by Molmil
Crystal structure of the ExsA regulatory domain
分子名称: Exoenzyme S synthesis regulatory protein ExsA
著者Schubot, F.D.
登録日2015-05-15
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis of the Regulatory Domain of ExsA, a Key Transcriptional Regulator of the Type Three Secretion System in Pseudomonas aeruginosa.
Plos One, 10, 2015
2GDL
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BU of 2gdl by Molmil
Fowlicidin-2: NMR structure of antimicrobial peptide
分子名称: myeloid antimicrobial peptide 27
著者Herrera, A.I, Prakash, O, Zhang, G.
登録日2006-03-16
公開日2007-03-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The Central Kink Region of alpha-Helical Fowlicidin-2 is Critically Involved in Antibacterial and Lipopolysaccharide-Neutralizing Activities
To be Published
4QQY
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BU of 4qqy by Molmil
Crystal structure of T. fusca Cas3-ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
4QQZ
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BU of 4qqz by Molmil
Crystal structure of T. fusca Cas3-AMPPNP
分子名称: CRISPR-associated helicase, Cas3 family, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
4O0T
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BU of 4o0t by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol, Serine/threonine-protein kinase PAK 1
著者Oh, A, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
4O0Y
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BU of 4o0y by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
8GU4
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BU of 8gu4 by Molmil
Poly(ethylene terephthalate) hydrolase (IsPETase)-linker
分子名称: Poly(ethylene terephthalate) hydrolase
著者Xiao, Y.J, Wang, Z.F.
登録日2022-09-09
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
8GU5
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BU of 8gu5 by Molmil
Wild type poly(ethylene terephthalate) hydrolase
分子名称: Poly(ethylene terephthalate) hydrolase
著者Xiao, Y.J, Wang, Z.F.
登録日2022-09-09
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
4O0V
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BU of 4o0v by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
4O0X
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BU of 4o0x by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2014-11-05
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
4O0R
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BU of 4o0r by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: PF-3758309, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
7YUK
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BU of 7yuk by Molmil
Complex structure of BANP BEN domain bound to DNA
分子名称: DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCEROL, Protein BANP
著者Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
登録日2022-08-17
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUG
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Structure of human BANP BEN domain
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BROMIDE ION, CHLORIDE ION, ...
著者Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
登録日2022-08-17
公開日2023-04-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUL
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BU of 7yul by Molmil
Crystal structure of human BEND6 BEN domain in complex with DNA
分子名称: BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCOLIC ACID
著者Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R.
登録日2022-08-17
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUN
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BU of 7yun by Molmil
Crystal structure of human BEND6 BEN domain in complex with methylated DNA
分子名称: BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*(5CM)P*GP*AP*GP*AP*G)-3')
著者Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R.
登録日2022-08-17
公開日2023-05-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023

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