4RUJ
 
 | | Crystal structure of zVDR L337H mutant-VD complex | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Huet, T, Moras, D, Rochel, N. | | Deposit date: | 2014-11-20 | | Release date: | 2015-10-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.352 Å) | | Cite: | A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
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4X0M
 | | Selection of fragments for kinase inhibitor design: decoration is key | | Descriptor: | 4-aminopyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | Deposit date: | 2014-11-21 | | Release date: | 2014-12-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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1GZG
 | | Complex of a Mg2-dependent porphobilinogen synthase from Pseudomonas aeruginosa (mutant D139N) with 5-fluorolevulinic acid | | Descriptor: | 5-FLUOROLEVULINIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION, ... | | Authors: | Frere, F, Schubert, W.-D, Stauffer, F, Frankenberg, N, Neier, R, Jahn, D, Heinz, D.W. | | Deposit date: | 2002-05-21 | | Release date: | 2002-06-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure of porphobilinogen synthase from Pseudomonas aeruginosa in complex with 5-fluorolevulinic acid suggests a double Schiff base mechanism.
J. Mol. Biol., 320, 2002
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6Q61
 | | Pore-modulating toxins exploit inherent slow inactivation to block K+ channels | | Descriptor: | Kunitz-type conkunitzin-S1, SULFATE ION | | Authors: | Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E. | | Deposit date: | 2018-12-10 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Pore-modulating toxins exploit inherent slow inactivation to block K+channels.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6PZM
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6Q7G
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01 | | Descriptor: | 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-12-13 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.047 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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6Q7S
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, PHENOL, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6Q83
 | | Crystal structure of the biportin Pdr6 in complex with UBC9 | | Descriptor: | Importin beta-like protein KAP122, UBC9 | | Authors: | Aksu, M, Trakhanov, S, Vera-Rodriguez, A, Gorlich, D. | | Deposit date: | 2018-12-14 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.53 Å) | | Cite: | Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122.
J.Cell Biol., 218, 2019
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4RZS
 | | Lac repressor engineered to bind sucralose, unliganded tetramer | | Descriptor: | GLYCEROL, Lac repressor | | Authors: | Arbing, M.A, Cascio, D, Kosuri, S, Church, G.M. | | Deposit date: | 2014-12-24 | | Release date: | 2015-12-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Engineering an allosteric transcription factor to respond to new ligands.
Nat.Methods, 13, 2016
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4RZT
 | | Lac repressor engineered to bind sucralose, sucralose-bound tetramer | | Descriptor: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Lac repressor | | Authors: | Arbing, M.A, Cascio, D, Sawaya, M.R, Kosuri, S, Church, G.M. | | Deposit date: | 2014-12-24 | | Release date: | 2015-12-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Engineering an allosteric transcription factor to respond to new ligands.
Nat.Methods, 13, 2016
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1H2Y
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6Q7T
 | | ERK2 mini-fragment binding | | Descriptor: | 1,2-oxazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QBO
 | | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A | | Descriptor: | Cell wall assembly regulator SMI1 | | Authors: | Ramos, N, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | | Deposit date: | 2018-12-21 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A
To Be Published
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1UYZ
 | | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with xylotetraose | | Descriptor: | CALCIUM ION, CELLULASE B, GLYCEROL, ... | | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2004-03-03 | | Release date: | 2004-03-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
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6QAH
 | | ERK2 mini-fragment binding | | Descriptor: | 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QBM
 | | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200A | | Descriptor: | Cell wall assembly regulator SMI1 | | Authors: | Carivenc, C, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | | Deposit date: | 2018-12-21 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200A
To Be Published
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4ZIQ
 | | Crystal structure of trypsin activated alpha-2-macroglobulin from Escherichia coli. | | Descriptor: | CHLORIDE ION, GLYCEROL, Uncharacterized lipoprotein YfhM | | Authors: | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F. | | Deposit date: | 2015-04-28 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6QBS
 | | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | | Descriptor: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | | Deposit date: | 2018-12-21 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
J. Am. Chem. Soc., 141, 2019
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1GTD
 | | NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG ID TT50) STRUCTURE OF MTH169, THE PURS SUBUNIT OF FGAM SYNTHETASE | | Descriptor: | MTH169 | | Authors: | Batra, R, Christendat, D, Saxild, H.H, Arrowsmith, C, Tong, L. | | Deposit date: | 2002-01-14 | | Release date: | 2002-12-12 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Crystal Structure of Mth169, a Crucial Component of Phosphoribosylformylglycinamidine Synthetase
Proteins: Struct.,Funct., Genet., 49, 2002
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6QEH
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5-Chloro-quinolin-8-ol | | Descriptor: | 5-chloranylquinolin-8-ol, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Musil, D, Heinrich, T, Lehmann, M. | | Deposit date: | 2019-01-07 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
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1GQL
 | | Structure of Pseudomonas cellulosa alpha-D-glucuronidase complexed with glucuronic acid and xylotriose | | Descriptor: | 1,2-ETHANEDIOL, ALPHA-D-GLUCURONIDASE, COBALT (II) ION, ... | | Authors: | Nurizzo, D, Nagy, T, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2001-11-26 | | Release date: | 2002-09-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The Structural Basis for Catalysis and Specificity of the Pseudomonas Cellulosa Alpha-Glucuronidase, Glca67A
Structure, 10, 2002
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1GU0
 | | CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE | | Authors: | Roszak, A.W, Krell, T, Robinson, D, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | | Deposit date: | 2002-01-22 | | Release date: | 2002-04-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor
Structure, 10, 2002
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6QEI
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5,6-Difluoro-3-(2-isopropoxy-4-piperazin-1-yl-phenyl)-1H-indole-2-carboxylic acid amide | | Descriptor: | 1,2-ETHANEDIOL, 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, DIMETHYL SULFOXIDE, ... | | Authors: | Musil, D, Heinrich, T, Lehmann, M. | | Deposit date: | 2019-01-07 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
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6QG4
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1UYX
 | | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with cellobiose | | Descriptor: | CALCIUM ION, CELLULASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2004-03-03 | | Release date: | 2004-03-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
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