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7ZB8
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BU of 7zb8 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant K61A at 2.48 A resolution
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A.
Deposit date:2022-03-23
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
3GM0
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BU of 3gm0 by Molmil
Anti-methamphetamine single chain Fv in complex with MDMA
Descriptor: (2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine, anti-methamphetamine single chain Fv
Authors:Celikel, R, Peterson, E.C, Owens, M, Varughese, K.I.
Deposit date:2009-03-12
Release date:2009-10-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of a therapeutic single chain antibody in complex with two drugs of abuse-Methamphetamine and 3,4-methylenedioxymethamphetamine.
Protein Sci., 18, 2009
3GKZ
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BU of 3gkz by Molmil
Crystal structures of a therapeutic single chain antibody in complex methamphetamine
Descriptor: (2S)-N-methyl-1-phenylpropan-2-amine, anti-methamphetamine single chain Fv
Authors:Celikel, R, Peterson, E.C, Owens, M, Varughese, K.I.
Deposit date:2009-03-11
Release date:2009-10-06
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of a therapeutic single chain antibody in complex with two drugs of abuse-Methamphetamine and 3,4-methylenedioxymethamphetamine.
Protein Sci., 18, 2009
6BVF
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BU of 6bvf by Molmil
Cryo-EM Structure of Hepatitis B virus T=4 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA
Descriptor: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine
Authors:Schlicksup, C, Wang, J.C, Zlotnick, A.
Deposit date:2017-12-12
Release date:2018-02-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids.
Elife, 7, 2018
6BVN
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BU of 6bvn by Molmil
Cryo-EM Structure of Hepatitis B virus T=3 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA
Descriptor: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine
Authors:Schlicksup, C, Wang, J.C, Zlotnick, A.
Deposit date:2017-12-13
Release date:2018-02-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids.
Elife, 7, 2018
1AYV
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT THIAZOLHYDRAZIDE INHIBITOR
Descriptor: CATHEPSIN K, N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-11-10
Release date:1998-11-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1AYU
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BU of 1ayu by Molmil
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR
Descriptor: 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-11-10
Release date:1998-11-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1AYW
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BU of 1ayw by Molmil
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR
Descriptor: 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-11-10
Release date:1998-11-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1GFW
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BU of 1gfw by Molmil
THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
Descriptor: 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE, CASPASE-3 (APOPAIN, P10), ...
Authors:Concha, N.O, Janson, C.A.
Deposit date:2000-06-16
Release date:2000-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000
5V2D
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BU of 5v2d by Molmil
Crystal structure of Pseudomonas brassicacearum lignostilbene dioxygenase
Descriptor: Dioxygenase, FE (III) ION
Authors:Loewen, P.C, Loewen, M.
Deposit date:2017-03-03
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of a lignostilbene-alpha , beta-dioxygenase orthologue from Pseudomonas brassicacearum.
BMC Biochem., 19, 2018
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