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PDB: 969 件
3U7T
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BU of 3u7t by Molmil
Room temperature ultra-high resolution time-of-flight neutron and X-ray diffraction studies of H/D exchanged crambin
分子名称: Crambin
著者Chen, J.C.-H.
登録日2011-10-14
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Room-temperature ultrahigh-resolution time-of-flight neutron and X-ray diffraction studies of H/D-exchanged crambin.
Acta Crystallogr.,Sect.F, 68, 2012
3LI5
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BU of 3li5 by Molmil
Diisopropyl fluorophosphatase (DFPase), E21Q,N120D,N175D,D229N mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Diisopropyl-fluorophosphatase
著者Chen, J.C.-H.
登録日2010-01-24
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural characterization of the catalytic calcium-binding site in diisopropyl fluorophosphatase (DFPase)-Comparison with related beta-propeller enzymes.
Chem.Biol.Interact, 187, 2010
3LI4
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BU of 3li4 by Molmil
Diisopropyl fluorophosphatase (DFPase), N120D,N175D,D229N mutant
分子名称: CALCIUM ION, Diisopropyl-fluorophosphatase
著者Chen, J.C.-H.
登録日2010-01-24
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural characterization of the catalytic calcium-binding site in diisopropyl fluorophosphatase (DFPase)-Comparison with related beta-propeller enzymes.
Chem.Biol.Interact, 187, 2010
9EWK
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BU of 9ewk by Molmil
Solvent organization in ultrahigh-resolution protein crystal structure at room temperature
分子名称: Crambin, ETHANOL
著者Chen, J.C.-H, Gilski, M, Chang, C, Borek, D, Rosenbaum, G, Lavens, A, Otwinowski, Z, Kubicki, M, Dauter, Z, Jaskolski, M, Joachimiak, A.
登録日2024-04-04
公開日2024-09-04
実験手法X-RAY DIFFRACTION (0.7 Å)
主引用文献Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature.
Iucrj, 2024
2BCE
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BU of 2bce by Molmil
CHOLESTEROL ESTERASE FROM BOS TAURUS
分子名称: CHOLESTEROL ESTERASE
著者Chen, J.C.-H, Miercke, L.J.W, Krucinski, J, Starr, J.R, Saenz, G, Wang, X, Spilburg, C.A, Lange, L.G, Ellsworth, J.L, Stroud, R.M.
登録日1998-01-28
公開日1999-02-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of bovine pancreatic cholesterol esterase at 1.6 A: novel structural features involved in lipase activation.
Biochemistry, 37, 1998
1EXQ
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BU of 1exq by Molmil
CRYSTAL STRUCTURE OF THE HIV-1 INTEGRASE CATALYTIC CORE DOMAIN
分子名称: CADMIUM ION, CHLORIDE ION, POL POLYPROTEIN, ...
著者Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M.
登録日2000-05-03
公開日2000-11-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: a model for viral DNA binding.
Proc.Natl.Acad.Sci.USA, 97, 2000
1EX4
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BU of 1ex4 by Molmil
HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, INTEGRASE
著者Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M.
登録日2000-04-28
公開日2000-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: a model for viral DNA binding.
Proc.Natl.Acad.Sci.USA, 97, 2000
8F2T
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BU of 8f2t by Molmil
Antibody Fab directed against SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD)
分子名称: Fab heavy chain, Fab light chain
著者Chen, J.C.-H.
登録日2022-11-08
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Antibody Fab directed against SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD)
To Be Published
8F2V
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BU of 8f2v by Molmil
Antibody Fab directed against SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Fab heavy chain, Fab light chain
著者Chen, J.C.-H.
登録日2022-11-08
公開日2023-12-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Antibody Fab directed against SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD)
To Be Published
2GVU
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BU of 2gvu by Molmil
Crystal structure of diisopropyl fluorophosphatase (DFPase), mutant D229N / N120D
分子名称: CALCIUM ION, Phosphotriesterase
著者Chen, J.C.H, Blum, M.M.
登録日2006-05-03
公開日2006-09-19
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
2GVV
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BU of 2gvv by Molmil
Structure of diisopropyl fluorophosphatase (DFPase) in complex with dicyclopentylphosphoroamidate (DcPPA)
分子名称: CALCIUM ION, DICYCLOPENTYL PHOSPHORAMIDATE, Phosphotriesterase
著者Chen, J.C.H, Blum, M.M.
登録日2006-05-03
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
2GVW
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BU of 2gvw by Molmil
Structure of diisopropyl fluorophosphatase (DFPase) holoenzyme (RT)
分子名称: CALCIUM ION, Phosphotriesterase
著者Chen, J.C.H, Blum, M.M.
登録日2006-05-03
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
3LI3
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BU of 3li3 by Molmil
Diisopropyl fluorophosphatase (DFPase), D121E mutant
分子名称: CALCIUM ION, Diisopropyl-fluorophosphatase
著者Chen, J.C.-H.
登録日2010-01-24
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural characterization of the catalytic calcium-binding site in diisopropyl fluorophosphatase (DFPase)-Comparison with related beta-propeller enzymes.
Chem.Biol.Interact, 187, 2010
3HLI
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BU of 3hli by Molmil
diisopropyl fluorophosphatase (DFPase), active site mutants
分子名称: CALCIUM ION, Diisopropyl-fluorophosphatase
著者Chen, J.C.-H, Blum, M.-M.
登録日2009-05-27
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversed enantioselectivity of diisopropyl fluorophosphatase against organophosphorus nerve agents by rational design
J.Am.Chem.Soc., 131, 2009
3HLH
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BU of 3hlh by Molmil
Diisopropyl fluorophosphatase (DFPase), active site mutants
分子名称: CALCIUM ION, Diisopropyl-fluorophosphatase
著者Chen, J.C.-H, Blum, M.-M.
登録日2009-05-27
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reversed enantioselectivity of diisopropyl fluorophosphatase against organophosphorus nerve agents by rational design
J.Am.Chem.Soc., 131, 2009
7H6V
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BU of 7h6v by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1262633486 (CHIKV_MacB-x0394)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7D
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BU of 7h7d by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z422410426 (CHIKV_MacB-x0721)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7K
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BU of 7h7k by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z768399682 (CHIKV_MacB-x0858)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H88
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741972444 (CHIKV_MacB-x1134)
分子名称: (1Z)-N-hydroxy-2-methylpropanimidamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8I
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362772344 (CHIKV_MacB-x1194)
分子名称: 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H6Q
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1148165337 (CHIKV_MacB-x0312)
分子名称: 2-(1H-indazol-1-yl)-N,N-dimethylacetamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8W
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z19674820 (CHIKV_MacB-x1316)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7E
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BU of 7h7e by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z432057220 (CHIKV_MacB-x0732)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9B
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1201619441 (CHIKV_MacB-x1417)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7P
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z32968340 (CHIKV_MacB-x0926)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published

224572

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