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PDB: 396 件
5JO4
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BU of 5jo4 by Molmil
Antibody Fab Fragment Complex
分子名称: D80 Fab Heavy Chain, D80 Fab Light Chain, G6 Fab Heavy Chain, ...
著者Zhang, Z, Prachanronarong, K.P, Marasco, W.A, Schiffer, C.A.S.
登録日2016-05-01
公開日2017-11-08
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural Basis of an Influenza Hemagglutinin Stem-Directed Antibody Retaining the G6 Idiotype
To Be Published
8E7T
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BU of 8e7t by Molmil
Crystal structure of Middle East respiratory syndrome coronavirus (MERS-CoV) 3CL protease inactive mutant C148A
分子名称: 3C-Like Protease, GLYCEROL, SODIUM ION
著者Shaqra, A.M, Zvornicanin, S.N, Schiffer, C.A.
登録日2022-08-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Middle East respiratory syndrome coronavirus (MERS-CoV) 3CL protease inactive mutant C148A
To Be Published
5JQD
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BU of 5jqd by Molmil
Antibody Fab Fragment
分子名称: D80 Fab Fragment Heavy Chain, D80 Fab Fragment Light Chain
著者Zhang, Z, Prachanronarong, K, Gellatly, K, Marasco, W.A, Schiffer, C.A.
登録日2016-05-04
公開日2017-11-08
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.591 Å)
主引用文献Structural Basis of an Influenza Hemagglutinin Stem-Directed Antibody Retaining the G6 Idiotype
To Be Published
2I0A
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BU of 2i0a by Molmil
Crystal Structure of KB-19 complexed with wild type HIV-1 protease
分子名称: (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, GLYCEROL, PHOSPHATE ION, ...
著者Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M.
登録日2006-08-10
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands.
J.Med.Chem., 49, 2006
2I0D
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BU of 2i0d by Molmil
Crystal structure of AD-81 complexed with wild type HIV-1 protease
分子名称: (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, ACETATE ION, PHOSPHATE ION, ...
著者Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M.
登録日2006-08-10
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands.
J.Med.Chem., 49, 2006
1MT9
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BU of 1mt9 by Molmil
Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy
分子名称: PHOSPHATE ION, PROTEASE RETROPEPSIN, p1-p6 Gag substrate decapeptide
著者Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
登録日2002-09-20
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy
J.Virol., 77, 2003
6DIU
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Crystal structure of HCV NS3/4A protease in complex with P4-3(AJ-74)
分子名称: 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, GLYCEROL, NS3 protease, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.868 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIS
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BU of 6dis by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-1 (AJ-71)
分子名称: 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate, GLYCEROL, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.921 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIR
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Crystal structure of HCV NS3/4A protease in complex with P4-P5-2 (AJ-67)
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, NS3 protease, SULFATE ION, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIV
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BU of 6div by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (AJ-67)
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, GLYCEROL, NS3 protease, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIQ
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BU of 6diq by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-P5-1 (WK-23)
分子名称: GLYCEROL, NS3 protease, SULFATE ION, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIW
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BU of 6diw by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (AJ-71)
分子名称: 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate, GLYCEROL, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIT
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BU of 6dit by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19)
分子名称: NS3 protease, ZINC ION, pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
8DSU
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BU of 8dsu by Molmil
Crystal Structure of SARS CoV-2 Mpro with Pfizer Intravenous Inhibitor PF-00835231
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-07-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7C
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Crystal Structure of Porcine Deltacoronavirus (HKU-15) Mpro with Pfizer Intravenous Inhibitor PF-00835231
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Main Protease, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-08-23
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7N
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BU of 8e7n by Molmil
Crystal structure of beluga whale Gammacoronavirus SW1 Mpro with GC-376 captured in two conformational states
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, GLYCEROL, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-08-24
公開日2023-03-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
4XXO
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BU of 4xxo by Molmil
Crystal Structure of Human APOBEC3A
分子名称: CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3A, ZINC ION
著者Bohn, M.F, Shandilya, S.M.D, Schiffer, C.A.
登録日2015-01-30
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.843 Å)
主引用文献The ssDNA Mutator APOBEC3A Is Regulated by Cooperative Dimerization.
Structure, 23, 2015
8DT9
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Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor PF-00835231
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-07-25
公開日2024-02-07
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
8E5C
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BU of 8e5c by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant L50F with Nirmatrelvir captured in two conformational states
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-08-20
公開日2024-02-07
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
8E4W
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BU of 8e4w by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant N142P with Pfizer Intravenous Inhibitor PF-00835231
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-08-19
公開日2024-02-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
5KEG
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BU of 5keg by Molmil
Crystal structure of APOBEC3A in complex with a single-stranded DNA
分子名称: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ...
著者Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A.
登録日2016-06-09
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
4U6S
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BU of 4u6s by Molmil
CtBP1 in complex with substrate phenylpyruvate
分子名称: 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ...
著者Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
登録日2014-07-29
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
4U6Q
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BU of 4u6q by Molmil
CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid
分子名称: (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ...
著者Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
登録日2014-07-29
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
1N49
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BU of 1n49 by Molmil
Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy
分子名称: Protease, RITONAVIR
著者Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
登録日2002-10-30
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant: Structural Insights for Better Antiviral Therapy
J.VIROL., 77, 2003
3IR2
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Crystal structure of the APOBEC3G catalytic domain
分子名称: CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3G, MAGNESIUM ION, ...
著者Shandilya, S.M.D, Schiffer, C.A.
登録日2009-08-21
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of the APOBEC3G Catalytic Domain Reveals Potential Oligomerization Interfaces.
Structure, 18, 2010

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