3ZPO
 
 | | Crystal structure of JmjC domain of human histone demethylase UTY with bound GSK J1 | | Descriptor: | 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, FE (II) ION, ... | | Authors: | Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2013-02-28 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human Uty(Kdm6C) is a Male-Specific Nepislon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
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4MX2
 | | Crystal Structure of adenylosuccinate lyase from Leishmania donovani | | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, GLYCEROL, ... | | Authors: | Wernimont, A.K, Loppnau, P, Dong, A, Krojer, T, Bradley, A, Bushell, S, von Delft, F, Robinson, D, Gilbert, I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-25 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of adenylosuccinate lyase from Leishmania donovani
To be Published
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4MZJ
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[801,805], a stapled myoA tail peptide | | Descriptor: | Myosin A tail domain interacting protein, Myosin-A | | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | Deposit date: | 2013-09-30 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.474 Å) | | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
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3ZEF
 | | Crystal structure of Prp8:Aar2 complex: second crystal form at 3.1 Angstrom resolution | | Descriptor: | A1 CISTRON-SPLICING FACTOR AAR2, PRE-MRNA-SPLICING FACTOR 8 | | Authors: | Galej, W.P, Oubridge, C, Newman, A.J, Nagai, K. | | Deposit date: | 2012-12-05 | | Release date: | 2013-01-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of Prp8 Reveals Active Site Cavity of the Spliceosome
Nature, 493, 2013
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3ZO3
 | | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | | Descriptor: | 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | | Deposit date: | 2013-02-20 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
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3ZKA
 | | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-BOUND, OPEN STATE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | | Deposit date: | 2013-01-22 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
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4MS5
 | | Lambda-[Ru(TAP)2(dppz-11,12-(F)2)]2+ bound to CCGGATCCGG | | Descriptor: | (11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, DNA | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2013-09-18 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | The effects of disubstitution on the binding of ruthenium complexes to DNA
Thesis, University of Reading, 2014
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3ZKW
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6FFK
 | | Human apo-SOD1 bound to PtCl2(1R,2R-1,4-DACH | | Descriptor: | PtCl2(1(R),2(R)-DACH), Superoxide dismutase [Cu-Zn] | | Authors: | Calderone, V, Nativi, C, Cantini, F, Di Cesare Mannelli, L. | | Deposit date: | 2018-01-08 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Interaction of Half Oxa-/Halfcis-Platin Complex with Human Superoxide Dismutase and Induced Reduction of Neurotoxicity.
ACS Med Chem Lett, 9, 2018
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4MRP
 | | Structure of a bacterial Atm1-family ABC transporter | | Descriptor: | ABC transporter related protein, GLUTATHIONE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | | Authors: | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | | Deposit date: | 2013-09-17 | | Release date: | 2014-03-19 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Science, 343, 2014
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3W3W
 | | Crystal structure of Kap121p bound to Ste12p | | Descriptor: | Importin subunit beta-3, Protein STE12 | | Authors: | Kobayashi, J, Matsuura, Y. | | Deposit date: | 2012-12-28 | | Release date: | 2013-04-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for cell-cycle-dependent nuclear import mediated by the karyopherin Kap121p.
J.Mol.Biol., 425, 2013
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4LE7
 | | The Crystal Structure of Pyocin L1 at 2.09 Angstroms | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Pyocin L1 | | Authors: | Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, R.J, Walker, D. | | Deposit date: | 2013-06-25 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor.
Plos Pathog., 10, 2014
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3W82
 | | Human alpha-L-iduronidase in complex with iduronic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | | Authors: | Maita, N, Tsukimura, T, Taniguchi, T, Saito, S, Ohno, K, Taniguchi, H, Sakuraba, H. | | Deposit date: | 2013-03-11 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Human alpha-L-iduronidase uses its own N-glycan as a substrate-binding and catalytic module
Proc.Natl.Acad.Sci.USA, 110, 2013
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4LND
 | | Crystal structure of human apurinic/apyrimidinic endonuclease 1 with essential Mg2+ cofactor | | Descriptor: | DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION | | Authors: | Manvilla, B.A, Pozharski, E, Toth, E.A, Drohat, A.C. | | Deposit date: | 2013-07-11 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure of human apurinic/apyrimidinic endonuclease 1 with the essential Mg(2+) cofactor.
Acta Crystallogr.,Sect.D, 69, 2013
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3ZJB
 | | The structure of the TRAF domain of human TRAF4 | | Descriptor: | CHLORIDE ION, TNF RECEPTOR-ASSOCIATED FACTOR 4 | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Rousseau, A, Rogna, D, Nomine, Y, Rio, M.-C, Tomasetto, C, Alpy, F. | | Deposit date: | 2013-01-17 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Traf4 is a Novel Phosphoinositide-Binding Protein Modulating Tight Junctions and Favoring Cell Migration.
Plos Biol., 11, 2013
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3ZO2
 | | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | | Deposit date: | 2013-02-20 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
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3ZG1
 | | NI-BOUND FORM OF M123A MUTANT OF CUPRIAVIDUS METALLIDURANS CH34 CNRXS | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Girard, E, Coves, J. | | Deposit date: | 2012-12-13 | | Release date: | 2013-10-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Metal Sensing and Signal Transduction by Cnrx from Cupriavidus Metallidurans Ch34: Role of the Only Methionine Assessed by a Functional, Spectroscopic, and Theoretical Study
Metallomics, 6, 2014
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3ZNG
 | | Ankyrin repeat and SOCS-box protein 9 (ASB9) in complex with ElonginB and ElonginC | | Descriptor: | 1,2-ETHANEDIOL, ANKYRIN REPEAT AND SOCS BOX PROTEIN 9, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | Authors: | Thomas, J, Van Molle, I, Ciulli, A. | | Deposit date: | 2013-02-14 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Multimeric Complexes Among Ankyrin-Repeat and Socs-Box Protein 9 (Asb9), Elonginbc, and Cullin 5: Insights Into the Structure and Assembly of Ecs-Type Cullin-Ring E3 Ubiquitin Ligases.
Biochemistry, 52, 2013
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6G5J
 | | Secreted phospholipase A2 type X in complex with ligand | | Descriptor: | (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sandmark, J, Oster, L. | | Deposit date: | 2018-03-29 | | Release date: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid.
ACS Med Chem Lett, 9, 2018
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6G3Q
 | | Crystal structure of human carbonic anhydrase II in complex with the inhibitor famotidine | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | | Authors: | Ferraroni, M, Supuran, C.T, Angeli, A. | | Deposit date: | 2018-03-26 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
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4MZK
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[807,811], a stapled myoA tail peptide | | Descriptor: | Myosin A tail domain interacting protein, pGly[807,811], a stapled myoA tail peptide | | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | Deposit date: | 2013-09-30 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
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4N6T
 | | Adhiron: a stable and versatile peptide display scaffold - full length adhiron | | Descriptor: | Adhiron | | Authors: | Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J. | | Deposit date: | 2013-10-14 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
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3ZK7
 | | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA IN THE METAL-FREE, OPEN STATE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | | Deposit date: | 2013-01-22 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
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3ZKU
 | | Isopenicillin N synthase with substrate analogue AhCV | | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine | | Authors: | Daruzzaman, A, Clifton, I.J, Rutledge, P.J. | | Deposit date: | 2013-01-24 | | Release date: | 2013-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Interaction of Isopenicillin N Synthase with Homologated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Homocysteinyl-D-Xaa Characterised by Protein Crystallography.
Chembiochem, 14, 2013
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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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