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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
2GVX
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BU of 2gvx by Molmil
Structure of diisopropyl fluorophosphatase (DFPase), mutant D229N / N175D
Descriptor: CALCIUM ION, diisopropyl fluorophosphatase
Authors:Blum, M.-M, Lohr, F, Richardt, A, Ruterjans, H, Chen, J.C.-H.
Deposit date:2006-05-03
Release date:2006-09-19
Last modified:2024-02-14
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
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
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
1KEZ
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BU of 1kez by Molmil
Crystal Structure of the Macrocycle-forming Thioesterase Domain of Erythromycin Polyketide Synthase (DEBS TE)
Descriptor: ERYTHRONOLIDE SYNTHASE
Authors:Tsai, S.-C, Miercke, L.J.W, Krucinski, J, Gokhale, R, Chen, J.C.-H, Foster, P.G, Cane, D.E, Khosla, C, Stroud, R.M.
Deposit date:2001-11-19
Release date:2002-01-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the macrocycle-forming thioesterase domain of the erythromycin polyketide synthase: versatility from a unique substrate channel.
Proc.Natl.Acad.Sci.USA, 98, 2001
1OSF
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BU of 1osf by Molmil
Human Hsp90 in complex with 17-desmethoxy-17-N,N-Dimethylaminoethylamino-Geldanamycin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN, ACETIC ACID, ...
Authors:Jez, J.M, Chen, J.C.-H, Rastelli, G, Stroud, R.M, Santi, D.V.
Deposit date:2003-03-19
Release date:2003-05-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure and Molecular Modeling of 17-DMAG in Complex with Human Hsp90
Chem.Biol., 10, 2003
5J04
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BU of 5j04 by Molmil
Crystal structure of Enolase from Synechococcus elongatus, complex with phosphoenolpyruvate
Descriptor: ACETATE ION, CALCIUM ION, Enolase, ...
Authors:Gonzalez, J.M.
Deposit date:2016-03-26
Release date:2016-04-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of Synechococcus elongatus enolase reveals key aspects of phosphoenolpyruvate binding
Acta Crystallogr.,Sect.F, F78, 2022
3BYC
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BU of 3byc by Molmil
Joint neutron and X-ray structure of diisopropyl fluorophosphatase. Deuterium occupancies are 1-Q, where Q is occupancy of H
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Blum, M.-M, Mustyakimov, M, Ruterjans, H, Schoenborn, B.P, Langan, P, Chen, J.C.-H.
Deposit date:2008-01-15
Release date:2009-01-27
Last modified:2024-02-21
Method:NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
Cite:Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement.
Proc.Natl.Acad.Sci.Usa, 106, 2009
2NUB
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BU of 2nub by Molmil
Structure of Aquifex aeolicus Argonuate
Descriptor: Argonaute
Authors:Rashid, U.J, Paterok, D, Koglin, A, Gohlke, H, Piehler, J, Chen, J.C.-H.
Deposit date:2006-11-09
Release date:2007-02-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Aquifex aeolicus argonaute highlights conformational flexibility of the PAZ domain as a potential regulator of RNA-induced silencing complex function.
J.Biol.Chem., 282, 2007
4FC1
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BU of 4fc1 by Molmil
Ultra-high resolution neutron structure of crambin at room-temperature
Descriptor: Crambin
Authors:Kovalevsky, A.Y, Chen, J.C.-H.
Deposit date:2012-05-23
Release date:2012-09-19
Last modified:2018-06-06
Method:NEUTRON DIFFRACTION (1.1 Å)
Cite:Direct observation of hydrogen atom dynamics and interactions by ultrahigh resolution neutron protein crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
3KGG
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BU of 3kgg by Molmil
X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Blum, M.-M, Tomanicek, S.J, John, H, Hanson, B.L, terjans, H.R, Schoenborn, B.P, Langan, P, Chen, J.C.-H.
Deposit date:2009-10-29
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.
Acta Crystallogr.,Sect.F, 66, 2010

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