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PDB: 417 件
3V0F
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Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), form II
分子名称: PHOSPHATE ION, Voltage-sensor containing phosphatase
著者Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L.
登録日2011-12-07
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
3V0J
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Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), Deletion of 401-405
分子名称: PHOSPHATE ION, Voltage-sensor containing phosphatase
著者Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L.
登録日2011-12-08
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
3V0E
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Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 256-576(C363S)
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L.
登録日2011-12-07
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
3V0H
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Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), complexed with D-MYO-inositol-1,4,5-triphosphate
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Voltage-sensor containing phosphatase
著者Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L.
登録日2011-12-08
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
8F46
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Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead)
分子名称: 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL
著者Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
登録日2022-11-10
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
8F44
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Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor
分子名称: (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ...
著者Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
登録日2022-11-10
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
5ZNT
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Insect chitin deacetylase
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, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
5ZNS
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Insect chitin deacetylase
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, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
6C4Y
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Cross-alpha Amyloid-like Structure alphaAmG
分子名称: Cross-alpha Amyloid-like Structure alphaAmG
著者Liu, L, Zhang, S.Q.
登録日2018-01-13
公開日2018-08-15
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6C4Z
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Cross-alpha Amyloid-like Structure alphaAmG - low resolution
分子名称: Cross-alpha Amyloid-like Structure alphaAmG - low resolution
著者Liu, L, Zhang, S.Q.
登録日2018-01-13
公開日2018-08-15
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6C51
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Cross-alpha Amyloid-like Structure alphaAmL
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmL, PHOSPHATE ION
著者Liu, L, Zhang, S.Q.
登録日2018-01-13
公開日2018-08-15
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6C4X
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Cross-alpha Amyloid-like Structure alphaAmmem
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ZINC ION, cross-alpha amyloid-like membrane peptide alpha-AmMEM
著者Liu, L, Zhang, S.Q.
登録日2018-01-13
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6C50
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Cross-alpha Amyloid-like Structure alphaAmS
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmS, FORMIC ACID
著者Liu, L, Zhang, S.Q.
登録日2018-01-13
公開日2018-08-15
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6C52
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Cross-alpha Amyloid-like Structure alphaTet
分子名称: Cross-alpha Amyloid-like Structure alphaTet, GLYCEROL
著者Liu, L, Zhang, S.Q.
登録日2018-01-13
公開日2018-08-15
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
3DN1
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BU of 3dn1 by Molmil
Chloropentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
分子名称: 1-chloro-2,3,4,5,6-pentafluorobenzene, 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ...
著者Liu, L, Matthews, B.W.
登録日2008-07-01
公開日2008-11-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
3DMZ
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Hexafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ...
著者Liu, L, Matthews, B.W.
登録日2008-07-01
公開日2008-11-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
7T42
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 2c
分子名称: (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
著者Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T44
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 4c
分子名称: (1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
著者Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T43
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c
分子名称: (1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
著者Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
3CIY
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Mouse Toll-like receptor 3 ectodomain complexed with double-stranded RNA
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Liu, L, Botos, I, Wang, Y, Leonard, J.N, Shiloach, J, Segal, D.M, Davies, D.R.
登録日2008-03-12
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Structural basis of toll-like receptor 3 signaling with double-stranded RNA.
Science, 320, 2008
3DN4
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Iodobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
分子名称: 2-HYDROXYETHYL DISULFIDE, Lysozyme, PHOSPHATE ION, ...
著者Liu, L, Matthews, B.W.
登録日2008-07-01
公開日2008-11-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
7TQ8
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Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d
分子名称: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ...
著者Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2022-01-26
公開日2022-03-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TL7
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1.90A resolution structure of independent phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Sa-D2)
分子名称: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, IMIDAZOLE, SODIUM ION, ...
著者Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J.
登録日2022-01-18
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases.
Acs Chem.Biol., 17, 2022
7TL8
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1.95A resolution structure of independent phosphoglycerate mutase from S. aureus in complex with a macrocyclic peptide inhibitor (Sa-D3)
分子名称: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, MANGANESE (II) ION, Peptide Sa-D3
著者Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J.
登録日2022-01-18
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases.
Acs Chem.Biol., 17, 2022
3DN6
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1,3,5-trifluoro-2,4,6-trichlorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
分子名称: 1,3,5-trichloro-2,4,6-trifluorobenzene, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ...
著者Liu, L, Matthews, B.W.
登録日2008-07-01
公開日2008-11-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009

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