4N5Q
 
 | | Crystal structure of the N-terminal ankyrin repeat domain of TRPV3 | | Descriptor: | Transient receptor potential cation channel subfamily V member 3 | | Authors: | Shi, D.J, Ye, S, Cao, X, Wang, K.W, Zhang, R. | | Deposit date: | 2013-10-10 | | Release date: | 2014-01-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.946 Å) | | Cite: | Crystal structure of the N-terminal ankyrin repeat domain of TRPV3 reveals unique conformation of finger 3 loop critical for channel function
Protein Cell, 4, 2013
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6QM0
 | | 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
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6QLX
 | | 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
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6QLW
 | | 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 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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4ARX
 | | 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
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4ARY
 | | 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
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6QLM
 | | 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
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6QL8
 | | 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 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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1GZH
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1PF8
 | | Crystal Structure of Human Cyclin-Dependent Kinase 2 Complexed with a Nucleoside Inhibitor | | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cell division protein kinase 2 | | Authors: | Moshinsky, D.J, Bellamacina, R.C, Boisvert, D.C, Huang, P, Hui, T, Jancarik, J, Kim, S.H, Rice, A.G. | | Deposit date: | 2003-05-24 | | Release date: | 2003-12-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | SU9516: biochemical analysis of cdk inhibition and crystal structure in complex with cdk2.
Biochem.Biophys.Res.Commun., 310, 2003
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3UVC
 | | 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: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Characterization of fragments interacting with MMP-12
To be Published
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2W0D
 | | 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: | 2024-05-01 | | 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
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1IFT
 | | 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
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1IFS
 | | 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
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1H9O
 | | 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: | 2024-10-09 | | 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
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1IFU
 | | 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
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8AWI
 | | 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: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7Q9N
 | | 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: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7Q9L
 | | 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: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7Q9O
 | | 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: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7UJN
 | | Structure of Human SAMHD1 with Non-Hydrolysable dGTP Analog | | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | | Authors: | Huynh, K.W, Ammirati, M, Han, S. | | Deposit date: | 2022-03-31 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Phosphorylation of SAMHD1 Thr592 increases C-terminal domain dynamics, tetramer dissociation and ssDNA binding kinetics.
Nucleic Acids Res., 50, 2022
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8TDW
 | | ssRNA bound SAMHD1 T open | | Descriptor: | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, RNA (5'-R(P*CP*CP*GP*AP*CP*C)-3'), ... | | Authors: | Sung, M, Huynh, K, Han, S. | | Deposit date: | 2023-07-05 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Guanine-containing ssDNA and RNA induce dimeric and tetrameric structural forms of SAMHD1.
Nucleic Acids Res., 51, 2023
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8TDV
 | | ssRNA bound SAMHD1 T closed | | Descriptor: | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, RNA (5'-R(P*CP*CP*GP*AP*CP*CP*C)-3'), ... | | Authors: | Sung, M, Huynh, K, Han, S. | | Deposit date: | 2023-07-05 | | Release date: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Guanine-containing ssDNA and RNA induce dimeric and tetrameric structural forms of SAMHD1.
Nucleic Acids Res., 51, 2023
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1AJ6
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1OBT
 | | 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
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