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PDB: 966 results
2BCE
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BU of 2bce by Molmil
CHOLESTEROL ESTERASE FROM BOS TAURUS
Descriptor: CHOLESTEROL ESTERASE
Authors: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.
Deposit date:1998-01-28
Release date:1999-02-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: CADMIUM ION, CHLORIDE ION, POL POLYPROTEIN, ...
Authors:Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M.
Deposit date:2000-05-03
Release date:2000-11-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, INTEGRASE
Authors:Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M.
Deposit date:2000-04-28
Release date:2000-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
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
Descriptor: Crambin
Authors:Chen, J.C.-H.
Deposit date:2011-10-14
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Room-temperature ultrahigh-resolution time-of-flight neutron and X-ray diffraction studies of H/D-exchanged crambin.
Acta Crystallogr.,Sect.F, 68, 2012
3HLI
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BU of 3hli by Molmil
diisopropyl fluorophosphatase (DFPase), active site mutants
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Chen, J.C.-H, Blum, M.-M.
Deposit date:2009-05-27
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Chen, J.C.-H, Blum, M.-M.
Deposit date:2009-05-27
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Reversed enantioselectivity of diisopropyl fluorophosphatase against organophosphorus nerve agents by rational design
J.Am.Chem.Soc., 131, 2009
8F2T
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BU of 8f2t by Molmil
Antibody Fab directed against SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD)
Descriptor: Fab heavy chain, Fab light chain
Authors:Chen, J.C.-H.
Deposit date:2022-11-08
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite: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)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Fab heavy chain, Fab light chain
Authors:Chen, J.C.-H.
Deposit date:2022-11-08
Release date:2023-12-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Antibody Fab directed against SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD)
To Be Published
2GVV
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BU of 2gvv by Molmil
Structure of diisopropyl fluorophosphatase (DFPase) in complex with dicyclopentylphosphoroamidate (DcPPA)
Descriptor: CALCIUM ION, DICYCLOPENTYL PHOSPHORAMIDATE, Phosphotriesterase
Authors:Chen, J.C.H, Blum, M.M.
Deposit date:2006-05-03
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
2GVU
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BU of 2gvu by Molmil
Crystal structure of diisopropyl fluorophosphatase (DFPase), mutant D229N / N120D
Descriptor: CALCIUM ION, Phosphotriesterase
Authors:Chen, J.C.H, Blum, M.M.
Deposit date:2006-05-03
Release date:2006-09-19
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: CALCIUM ION, Phosphotriesterase
Authors:Chen, J.C.H, Blum, M.M.
Deposit date:2006-05-03
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
3LI5
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BU of 3li5 by Molmil
Diisopropyl fluorophosphatase (DFPase), E21Q,N120D,N175D,D229N mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Chen, J.C.-H.
Deposit date:2010-01-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite: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
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Chen, J.C.-H.
Deposit date:2010-01-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural characterization of the catalytic calcium-binding site in diisopropyl fluorophosphatase (DFPase)-Comparison with related beta-propeller enzymes.
Chem.Biol.Interact, 187, 2010
3LI3
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BU of 3li3 by Molmil
Diisopropyl fluorophosphatase (DFPase), D121E mutant
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Chen, J.C.-H.
Deposit date:2010-01-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural characterization of the catalytic calcium-binding site in diisopropyl fluorophosphatase (DFPase)-Comparison with related beta-propeller enzymes.
Chem.Biol.Interact, 187, 2010
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)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, CHLORIDE ION, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite: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)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.46 Å)
Cite: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)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H88
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BU of 7h88 by Molmil
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)
Descriptor: (1Z)-N-hydroxy-2-methylpropanimidamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8I
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BU of 7h8i by Molmil
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)
Descriptor: 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, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H6Q
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BU of 7h6q by Molmil
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)
Descriptor: 2-(1H-indazol-1-yl)-N,N-dimethylacetamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8W
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BU of 7h8w by Molmil
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)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9B
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BU of 7h9b by Molmil
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)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, CHLORIDE ION, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7P
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BU of 7h7p by Molmil
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)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H81
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BU of 7h81 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z940713508 (CHIKV_MacB-x1114)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published

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