4N5Q
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![BU of 4n5q by Molmil](/molmil-images/mine/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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4ARX
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![BU of 4arx by Molmil](/molmil-images/mine/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
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![BU of 4ary by Molmil](/molmil-images/mine/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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7Q9N
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![BU of 7q9n by Molmil](/molmil-images/mine/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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7Q9O
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![BU of 7q9o by Molmil](/molmil-images/mine/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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7Q9L
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![BU of 7q9l by Molmil](/molmil-images/mine/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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6QL8
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![BU of 6ql8 by Molmil](/molmil-images/mine/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 | 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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6QLM
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![BU of 6qlm by Molmil](/molmil-images/mine/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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6QM0
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![BU of 6qm0 by Molmil](/molmil-images/mine/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
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![BU of 6qlx by Molmil](/molmil-images/mine/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
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![BU of 6qlw by Molmil](/molmil-images/mine/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 | 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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8AWI
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![BU of 8awi by Molmil](/molmil-images/mine/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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1PF8
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![BU of 1pf8 by Molmil](/molmil-images/mine/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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1GZH
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![BU of 1gzh by Molmil](/molmil-images/mine/1gzh) | |
3UVC
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![BU of 3uvc by Molmil](/molmil-images/mine/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
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![BU of 2w0d by Molmil](/molmil-images/mine/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
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![BU of 1ift by Molmil](/molmil-images/mine/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
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![BU of 1ifs by Molmil](/molmil-images/mine/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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1IFU
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![BU of 1ifu by Molmil](/molmil-images/mine/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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1H9O
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![BU of 1h9o by Molmil](/molmil-images/mine/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: | 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
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