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5ZII
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BU of 5zii by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II (Y88F)Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Zhang, X, Wan, Q.
登録日2018-03-15
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
7TEH
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Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-01-05
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
7TDU
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Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-01-03
公開日2022-03-02
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
5LBV
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Structural basis of zika and dengue virus potent antibody cross-neutralization
分子名称: SODIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, envelope protein E
著者Barba-Spaeth, G.
登録日2016-06-17
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
6K9R
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Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Li, C, Wan, Q.
登録日2019-06-17
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
1JQV
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The K213E mutant of Lactococcus lactis Dihydroorotate dehydrogenase A
分子名称: ACETIC ACID, Dihydroorotate dehydrogenase A, FLAVIN MONONUCLEOTIDE, ...
著者Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
登録日2001-08-09
公開日2003-09-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
1JRB
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The P56A mutant of Lactococcus lactis dihydroorotate dehydrogenase A
分子名称: FLAVIN MONONUCLEOTIDE, OROTIC ACID, dihydroorotate dehydrogenase A
著者Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
登録日2001-08-13
公開日2003-09-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
7A3O
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Crystal structure of dengue 1 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: Core protein, GLYCEROL, SULFATE ION, ...
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3R
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Crystal structure of dengue 1 virus envelope glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Core protein, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3N
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Crystal structure of Zika virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: CALCIUM ION, Core protein, EDE1 C10 Fab
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3T
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Crystal structure of dengue 3 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8
分子名称: Core protein, EDE1 C8 antibody Fab fragment, GLYCEROL, ...
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3U
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Crystal structure of Zika virus envelope glycoprotein in complex with the divalent F(ab')2 fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: EDE1 C10 antibody divalent F(ab')2 fragment, EDE1 C10 divalent F(ab')2 fragment, Envelope protein
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3P
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BU of 7a3p by Molmil
Crystal structure of dengue 3 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Single Chain Variable Fragment
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3S
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BU of 7a3s by Molmil
Crystal structure of dengue 3 virus envelope glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SULFATE ION
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Navarro-Sanchez, E, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3Q
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Crystal structure of dengue 4 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
1JUB
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BU of 1jub by Molmil
The K136E mutant of lactococcus lactis dihydroorotate dehydrogenase A
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
著者Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
登録日2001-08-24
公開日2003-09-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
1JQX
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The R57A mutant of Lactococcus lactis dihydroorotate dehydrogenase A
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
著者Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
登録日2001-08-09
公開日2003-09-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
1JRC
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The N67A mutant of Lactococcus lactis dihydroorotate dehydrogenase A
分子名称: FLAVIN MONONUCLEOTIDE, OROTIC ACID, dihydroorotate dehydrogenase A
著者Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
登録日2001-08-13
公開日2003-09-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
1JUE
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1.8 A resolution structure of native lactococcus lactis dihydroorotate dehydrogenase A
分子名称: ACETIC ACID, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
登録日2001-08-24
公開日2003-09-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
7MMO
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LY-CoV1404 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2021-04-30
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.427 Å)
主引用文献LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants.
Biorxiv, 2022
3Q0W
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BU of 3q0w by Molmil
ETHR From mycobacterium tuberculosis in complex with compound BDM33066
分子名称: (2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, GLYCEROL, HTH-type transcriptional regulator EthR
著者Flipo, M, Desrose, M, Dirie, B, Carette, X, Leroux, F, Lens, Z, Rucktooa, P, Piveteau, C, Demirkaya, F, Locht, C, Villeret, V, Christophe, T, Jeon, H.K, Brodin, P, Deprez, B, Baulard, A, Willand, N.
登録日2010-12-16
公開日2011-12-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2012
2P2I
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Crystal structure of the VEGFR2 kinase domain in complex with a nicotinamide inhibitor
分子名称: N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2007-03-07
公開日2007-03-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
2P2H
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Crystal structure of the VEGFR2 kinase domain in complex with a pyridinyl-triazine inhibitor
分子名称: 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2007-03-07
公開日2007-03-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
2P4I
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Evolution of a highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
分子名称: 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Angiopoietin-1 receptor
著者Bellon, S.F.
登録日2007-03-12
公開日2007-03-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evolution of a highly selective and potent 2-(pyridin-2-yl)-1,3,5-triazine Tie-2 kinase inhibitor.
J.Med.Chem., 50, 2007
2IUN
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Structure of the C-terminal head domain of the avian adenovirus CELO long fibre (P21 crystal form)
分子名称: AVIAN ADENOVIRUS CELO LONG FIBRE, CALCIUM ION
著者Guardado-Calvo, P, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J.
登録日2006-06-06
公開日2007-06-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the C-terminal head domain of the fowl adenovirus type 1 long fiber.
J. Gen. Virol., 88, 2007

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