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7SBO
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BU of 7sbo by Molmil
One RBD-up 2 of pre-fusion SARS-CoV-2 Delta variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2021-09-25
公開日2021-11-03
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBT
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BU of 7sbt by Molmil
One RBD-up 2 of pre-fusion SARS-CoV-2 Gamma variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2021-09-25
公開日2021-11-10
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBK
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BU of 7sbk by Molmil
Closed state of pre-fusion SARS-CoV-2 Delta variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2021-09-25
公開日2021-11-03
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBS
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BU of 7sbs by Molmil
One RBD-up 1 of pre-fusion SARS-CoV-2 Gamma variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2021-09-25
公開日2021-11-03
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBL
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BU of 7sbl by Molmil
One RBD-up 1 of pre-fusion SARS-CoV-2 Delta variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2021-09-25
公開日2021-11-10
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7N1W
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BU of 7n1w by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1Y
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BU of 7n1y by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1V
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BU of 7n1v by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1U
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BU of 7n1u by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1X
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BU of 7n1x by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1T
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BU of 7n1t by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1Q
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BU of 7n1q by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
3DB6
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BU of 3db6 by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902
分子名称: 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea, Polo-like kinase 1
著者Elling, R.A, Fucini, R.V, Zhu, J, Barr, K.J, Romanowski, M.J.
登録日2008-05-30
公開日2008-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of the Brachydanio rerio Polo-like kinase 1 (Plk1) catalytic domain in complex with an extended inhibitor targeting the adaptive pocket of the enzyme.
Acta Crystallogr.,Sect.F, 64, 2008
7N4S
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BU of 7n4s by Molmil
Bruton's tyrosine kinase in complex with compound 65
分子名称: (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2021-06-04
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
7N4R
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BU of 7n4r by Molmil
Bruton's tyrosine kinase in complex with compound 21
分子名称: DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2021-06-04
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
7N4Q
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BU of 7n4q by Molmil
Bruton's tyrosine kinase in complex with compound 45
分子名称: (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2021-06-04
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
7OIL
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BU of 7oil by Molmil
mPI3Kd in complex with compound 58
分子名称: 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
著者Petersen, J.
登録日2021-05-11
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OI4
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BU of 7oi4 by Molmil
mPI3Kd in complex with compound 12
分子名称: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Petersen, J.
登録日2021-05-11
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
3DXZ
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BU of 3dxz by Molmil
Crystal structure of EcTrmB in complex with SAH
分子名称: 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
著者Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W.
登録日2008-07-25
公開日2009-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion
Proteins, 76, 2009
3DXY
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BU of 3dxy by Molmil
Crystal structure of EcTrmB in complex with SAM
分子名称: GLYCEROL, S-ADENOSYLMETHIONINE, SULFATE ION, ...
著者Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W.
登録日2008-07-25
公開日2009-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion
Proteins, 76, 2009
3HI6
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BU of 3hi6 by Molmil
Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57
分子名称: Heavy chain of Fab fragment of AL-57 against alpha L I domain, Integrin alpha-L, MANGANESE (II) ION, ...
著者Zhang, H, Wang, J.
登録日2009-05-19
公開日2009-09-22
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1.
Proc.Natl.Acad.Sci.USA, 106, 2009
3DXX
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BU of 3dxx by Molmil
Crystal structure of EcTrmB
分子名称: GLYCEROL, tRNA (guanine-N(7)-)-methyltransferase
著者Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W.
登録日2008-07-25
公開日2009-05-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion
Proteins, 76, 2009
4Z64
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BU of 4z64 by Molmil
the plant peptide hormone receptor complex in arabidopsis
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, Phytosulfokine, ...
著者Chai, J, Wang, J, Han, Z.
登録日2015-04-03
公開日2016-03-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.659 Å)
主引用文献Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
4Z63
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BU of 4z63 by Molmil
The plant peptide hormone receptor in arabidopsis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, Phytosulfokine receptor 1
著者Chai, J, Wang, J, Han, Z.
登録日2015-04-03
公開日2016-03-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.514 Å)
主引用文献Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
4TLG
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BU of 4tlg by Molmil
Crystal structure of SEC14-like protein 4 (SEC14L4)
分子名称: 1,2-ETHANEDIOL, SEC14-like protein 4, UNDECANOIC ACID
著者Vollmar, M, Kopec, J, Kiyani, W, Shrestha, L, Sorrell, F, Krojer, T, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-05-29
公開日2014-07-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of SEC14-like protein 4 (SEC14L4)
To Be Published

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