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1GZH
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BU of 1gzh by Molmil
Crystal structure of the BRCT domains of human 53BP1 bound to the p53 tumor supressor
Descriptor: CELLULAR TUMOR ANTIGEN P53, SULFATE ION, TUMOR SUPPRESSOR P53-BINDING PROTEIN 1, ...
Authors:Derbyshire, D.J, Doherty, A.J.
Deposit date:2002-05-22
Release date:2002-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Human 53BP1 Brct Domains Bound to P53 Tumour Suppressor
Embo J., 21, 2002
4ARY
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BU of 4ary by Molmil
Lepidopteran-specific toxin Cry1Ac in complex with receptor specificity determinant GalNAc
Descriptor: 1,3-DIAMINOPROPANE, 2-acetamido-2-deoxy-beta-D-galactopyranose, PESTICIDAL CRYSTAL PROTEIN CRY1AC
Authors:Derbyshire, D.J, Carroll, J, Ellar, D.J, Li, J.
Deposit date:2012-04-27
Release date:2013-05-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Basis of Galnac-Dependent Receptor Recognition by B. Thuringiensis Toxin Cry1Ac
To be Published
4ARX
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BU of 4arx by Molmil
Lepidoptera-specific toxin Cry1Ac from Bacillus thuringiensis ssp. kurstaki HD-73
Descriptor: 1,3-DIAMINOPROPANE, GLYCEROL, PESTICIDAL CRYSTAL PROTEIN CRY1AC
Authors:Derbyshire, D.J, Carroll, J, Ellar, D.J, Li, J.
Deposit date:2012-04-27
Release date:2013-05-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Galnac-Dependent Receptor Recognition by B. Thuringiensis Toxin Cry1Ac
To be Published
6QL8
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BU of 6ql8 by Molmil
Cathepsin-K in complex with MIV-711
Descriptor: Cathepsin K, NITRATE ION, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
Authors:Derbyshire, D.J.
Deposit date:2019-01-31
Release date:2020-02-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
6QLM
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BU of 6qlm by Molmil
Cathepsin-K in complex with MIV-701
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, GLYCEROL, ...
Authors:Derbyshire, D.J.
Deposit date:2019-02-01
Release date:2020-02-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
6QM0
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BU of 6qm0 by Molmil
Cathepsin-K in complex with amino-oxaazabicyclo[3.3.0]octanyl containing inhibitor
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
Authors:Derbyshire, D.J.
Deposit date:2019-02-01
Release date:2020-02-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
6QLX
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BU of 6qlx by Molmil
Cathepsin-K in complex with fluoro-oxa-azabicyclo[3.3.0]octanyl containing inhibitor
Descriptor: Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide
Authors:Derbyshire, D.J.
Deposit date:2019-02-01
Release date:2020-02-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
6QLW
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BU of 6qlw by Molmil
Cathepsin-K in complex with MIV-710
Descriptor: CHLORIDE ION, Cathepsin K, SODIUM ION, ...
Authors:Derbyshire, D.J.
Deposit date:2019-02-01
Release date:2020-02-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
3UVC
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BU of 3uvc by Molmil
MMP12 in a complex with the dimeric adduct: 5-(5-phenylhydantoin)-5-phenylhydantoin
Descriptor: (4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Derbyshire, D.J, Danielson, H, Nystrum, S.
Deposit date:2011-11-29
Release date:2013-01-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of fragments interacting with MMP-12
To be Published
2W0D
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BU of 2w0d by Molmil
Does a Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Isaksson, J, Nystrom, S, Derbyshire, D.J, Wallberg, H, Agback, T, Kovacs, H, Bertini, I, Felli, I.C.
Deposit date:2008-08-13
Release date:2009-03-03
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Does a Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? a Case Study of Metalloproteinases.
J.Med.Chem., 52, 2009
1H9O
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BU of 1h9o by Molmil
PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, CRYSTAL STRUCTURE AT 1.79 A
Descriptor: BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR, PHOSPHATIDYLINOSITOL 3-KINASE
Authors:Pauptit, R.A, Rowsell, S, Breeze, A.L, Murshudov, G.N, Dennis, C.A, Derbyshire, D.J, Weston, S.A.
Deposit date:2001-03-14
Release date:2001-03-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:NMR Trial Models: Experiences with the Colicin Immunity Protein Im7 and the P85Alpha C-Terminal Sh2-Peptide Complex
Acta Crystallogr.,Sect.D, 57, 2001
1IFT
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BU of 1ift by Molmil
RICIN A-CHAIN (RECOMBINANT)
Descriptor: RICIN
Authors:Weston, S.A, Tucker, A.D, Thatcher, D.R, Derbyshire, D.J, Pauptit, R.A.
Deposit date:1996-07-05
Release date:1998-01-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structure of recombinant ricin A-chain at 1.8 A resolution.
J.Mol.Biol., 244, 1994
1IFS
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BU of 1ifs by Molmil
RICIN A-CHAIN (RECOMBINANT) COMPLEX WITH ADENOSINE (ADENOSINE BECOMES ADENINE IN THE COMPLEX)
Descriptor: ADENINE, RICIN
Authors:Weston, S.A, Tucker, A.D, Thatcher, D.R, Derbyshire, D.J, Pauptit, R.A.
Deposit date:1996-07-05
Release date:1998-01-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of recombinant ricin A-chain at 1.8 A resolution.
J.Mol.Biol., 244, 1994
1IFU
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BU of 1ifu by Molmil
RICIN A-CHAIN (RECOMBINANT) COMPLEX WITH FORMYCIN
Descriptor: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, RICIN
Authors:Weston, S.A, Tucker, A.D, Thatcher, D.R, Derbyshire, D.J, Pauptit, R.A.
Deposit date:1996-07-05
Release date:1998-01-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structure of recombinant ricin A-chain at 1.8 A resolution.
J.Mol.Biol., 244, 1994
8AWI
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BU of 8awi by Molmil
Crystal structure of Human Transthyretin at 1.15 Angstrom resolution
Descriptor: SODIUM ION, Transthyretin
Authors:Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
Deposit date:2022-08-29
Release date:2023-03-01
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7Q9L
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BU of 7q9l by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol
Descriptor: 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol, GLYCEROL, SODIUM ION, ...
Authors:Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7Q9N
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BU of 7q9n by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol
Descriptor: 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin
Authors:Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7Q9O
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BU of 7q9o by Molmil
Complex of Transthyretin with resveratrol exhibits multiple binding modes
Descriptor: GLYCEROL, RESVERATROL, SODIUM ION, ...
Authors:Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
1AJ6
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BU of 1aj6 by Molmil
NOVOBIOCIN-RESISTANT MUTANT (R136H) OF THE N-TERMINAL 24 KDA FRAGMENT OF DNA GYRASE B COMPLEXED WITH NOVOBIOCIN AT 2.3 ANGSTROMS RESOLUTION
Descriptor: GYRASE, NOVOBIOCIN
Authors:Weston, S.A, Tunnicliffe, A, Pauptit, R.A.
Deposit date:1997-05-15
Release date:1998-05-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study.
Biochemistry, 36, 1997
1OBT
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BU of 1obt by Molmil
STRUCTURE OF RICIN A CHAIN MUTANT, COMPLEX WITH AMP
Descriptor: ADENOSINE MONOPHOSPHATE, RICIN A CHAIN
Authors:Day, P.J, Ernst, S.R, Frankel, A.E, Monzingo, A.F, Pascal, J.M, Svinth, M, Robertus, J.D.
Deposit date:1996-06-22
Release date:1997-06-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and activity of an active site substitution of ricin A chain.
Biochemistry, 35, 1996
1OBS
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BU of 1obs by Molmil
STRUCTURE OF RICIN A CHAIN MUTANT
Descriptor: RICIN A CHAIN
Authors:Day, P.J, Ernst, S.R, Frankel, A.E, Monzingo, A.F, Pascal, J.M, Svinth, M, Robertus, J.D.
Deposit date:1996-06-25
Release date:1997-06-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and activity of an active site substitution of ricin A chain.
Biochemistry, 35, 1996
1UQ5
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BU of 1uq5 by Molmil
RICIN A-CHAIN (RECOMBINANT) N122A MUTANT
Descriptor: ACETATE ION, RICIN, SULFATE ION
Authors:Marsden, C.J, Fulop, V.
Deposit date:2003-10-15
Release date:2004-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Effect of Mutations Surrounding and within the Active Site on the Catalytic Activity of Ricin a Chain
Eur.J.Biochem., 271, 2004
1UQ4
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BU of 1uq4 by Molmil
RICIN A-CHAIN (RECOMBINANT) R213D MUTANT
Descriptor: RICIN, SULFATE ION
Authors:Marsden, C.J, Fulop, V.
Deposit date:2003-10-15
Release date:2004-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Effect of Mutations Surrounding and within the Active Site on the Catalytic Activity of Ricin a Chain
Eur.J.Biochem., 271, 2004

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