4BAT
 
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4JT0
 | | Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | | Authors: | Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M. | | Deposit date: | 2013-03-22 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome.
J.Med.Chem., 56, 2013
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4AGW
 | | Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide, GLYCEROL, ... | | Authors: | Weisberg, E, Choi, H.G, Seeliger, M, Gray, N, Griffin, J.D. | | Deposit date: | 2012-02-01 | | Release date: | 2012-02-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of a Small-Molecule Type II Inhibitor of Wild-Type and Gatekeeper Mutants of Bcr-Abl, Pdgfralpha, Kit, and Src Kinases: Novel Type II Inhibitor of Gatekeeper Mutants.
Blood, 115, 2010
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3S7F
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4BAZ
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4BAU
 | | Structure of a putative epoxide hydrolase t131d mutant from Pseudomonas aeruginosa, with bound MFA | | Descriptor: | CHLORIDE ION, PROBABLE EPOXIDE HYDROLASE, SULFATE ION, ... | | Authors: | Schmidberger, J.W, Schnell, R, Schneider, G. | | Deposit date: | 2012-09-16 | | Release date: | 2013-10-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of a Putative Epoxide Hydrolase T131D Mutant from Pseudomonas Aeruginosa, with Bound Mfa
To be Published
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3NG6
 | | The crystal structure of hemoglobin I from Trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added | | Descriptor: | Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L. | | Deposit date: | 2010-06-11 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An order-disorder transition plays a role in switching off the root effect in fish hemoglobins.
J.Biol.Chem., 285, 2010
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4BB5
 | | Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors | | Descriptor: | 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C. | | Deposit date: | 2012-09-20 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
J.Med.Chem., 55, 2012
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4BB6
 | | Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors | | Descriptor: | 6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ... | | Authors: | Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C. | | Deposit date: | 2012-09-20 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Free-Wilson and Structural Approaches to Co- Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
J.Med.Chem., 55, 2012
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3ZMC
 | | Native structure of Farnesyl Pyrophosphate Synthase from Pseudomonas aeruginosa PA01, with bound substrate molecule Geranyl pyrophosphate. | | Descriptor: | DIMETHYL SULFOXIDE, GERANYL DIPHOSPHATE, GERANYLTRANSTRANSFERASE, ... | | Authors: | Schmidberger, J.W, Schnell, R, Schneider, G. | | Deposit date: | 2013-02-07 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa
Acta Crystallogr.,Sect.D, 71, 2015
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3ZOU
 | | Native structure of Farnesyl Pyrophosphate Synthase from Pseudomonas aeruginosa PA01, with bound fragment SPB02696, and substrate geranyl pyrophosphate. | | Descriptor: | 3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid, DIMETHYL SULFOXIDE, FARNESYL PYROPHOSPHATE SYNTHASE, ... | | Authors: | Schmidberger, J.W, Schnell, R, Schneider, G. | | Deposit date: | 2013-02-25 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa
Acta Crystallogr.,Sect.D, 71, 2015
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3ZL6
 | | Native structure of Farnesyl Pyrophosphate Synthase from Pseudomonas aeruginosa PAO1, with bound fragment KM10833. | | Descriptor: | 2-(1,2-benzoxazol-3-yl)ethanoic acid, DIMETHYL SULFOXIDE, GERANYLTRANSTRANSFERASE, ... | | Authors: | Schmidberger, J.W, Schnell, R, Schneider, G. | | Deposit date: | 2013-01-28 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa.
Acta Crystallogr.,Sect.D, 71, 2015
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3P5D
 | | Structure of the carbohydrate-recognition domain of human Langerin with man5 (Man alpha1-3(Man alpha1-6)Man alpha1-6)(Man- alpha1-3)Man | | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, alpha-D-mannopyranose, ... | | Authors: | Feinberg, H, Taylor, M.E, Razi, N, McBride, R, Knirel, Y.A, Graham, S.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2010-10-08 | | Release date: | 2010-12-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8013 Å) | | Cite: | Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site.
J.Mol.Biol., 405, 2011
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3P5I
 | | Structure of the carbohydrate-recognition domain of human Langerin with 6-SO4-Gal-GlcNAc | | Descriptor: | 6-O-sulfo-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 4 member K, CALCIUM ION | | Authors: | Feinberg, H, Taylor, M.E, Razi, N, McBride, R, Knirel, Y.A, Graham, S.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2010-10-08 | | Release date: | 2010-12-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site.
J.Mol.Biol., 405, 2011
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3TZW
 | | Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the orthorhombic apoform at 2.6 A | | Descriptor: | 1,2-ETHANEDIOL, 12-mer peptide, Polyketide synthase PKS13, ... | | Authors: | Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C. | | Deposit date: | 2011-09-28 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
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4GZ2
 | | Mus Musculus Tdp2 excluded ssDNA complex | | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*AP*AP*TP*TP*CP*G)-3'), FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Schellenberg, M.J, Williams, R.S. | | Deposit date: | 2012-09-05 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of repair of 5'-topoisomerase II-DNA adducts by mammalian tyrosyl-DNA phosphodiesterase 2.
Nat.Struct.Mol.Biol., 19, 2012
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3ZCD
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3ZMB
 | | Native structure of Farnesyl Pyrophosphate Synthase from Pseudomonas aeruginosa PA01, with bound fragment SPB02696. | | Descriptor: | 3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schmidberger, J.W, Schnell, R, Schneider, G. | | Deposit date: | 2013-02-07 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa
Acta Crystallogr.,Sect.D, 71, 2015
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4BXS
 | | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A. | | Deposit date: | 2013-07-15 | | Release date: | 2013-07-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis.
Blood, 122, 2013
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3S7J
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4BB0
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423D
 | | 5'-D(*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)-3' | | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)-3'), MAGNESIUM ION | | Authors: | Rozenberg, H, Rabinovich, D, Frolow, F, Hegde, R.S, Shakked, Z. | | Deposit date: | 1998-09-14 | | Release date: | 1999-10-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural code for DNA recognition revealed in crystal structures of papillomavirus E2-DNA targets.
Proc.Natl.Acad.Sci.USA, 95, 1998
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4A82
 | | Fitted model of staphylococcus aureus sav1866 model ABC transporter in the human cystic fibrosis transmembrane conductance regulator volume map EMD-1966. | | Descriptor: | CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | | Authors: | Rosenberg, M.F, ORyan, L.P, Hughes, G, Zhao, Z, Aleksandrov, L.A, Riordan, J.R, Ford, R.C. | | Deposit date: | 2011-11-18 | | Release date: | 2012-01-11 | | Last modified: | 2024-05-08 | | Method: | ELECTRON CRYSTALLOGRAPHY (9 Å) | | Cite: | The Cystic Fibrosis Transmembrane Conductance Regulator (Cftr):3D Structure and Localisation of a Channel Gate.
J.Biol.Chem., 286, 2011
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3QO0
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4C7A
 | | Crystal structure of the Smoothened CRD, selenomethionine-labeled | | Descriptor: | SMOOTHENED, SODIUM ION, ZINC ION | | Authors: | Nachtergaele, S, Whalen, D.M, Mydock, L.K, Zhao, Z, Malinauskas, T, Krishnan, K, Ingham, P.W, Covey, D.F, Rohatgi, R, Siebold, C. | | Deposit date: | 2013-09-20 | | Release date: | 2013-11-06 | | Last modified: | 2013-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Function of the Smoothened Extracellular Domain in Vertebrate Hedgehog Signaling
Elife, 2, 2013
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