5MZU
 
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2N5U
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3MNN
 | | A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core | | Descriptor: | 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane, 1-methyl-4-(1-methylethyl)benzene, DNA (145-MER), ... | | Authors: | Ong, M.S, Davey, C.A. | | Deposit date: | 2010-04-22 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core
Chemistry, 17, 2011
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5CLV
 | | Crystal Structure of KorA-operator DNA complex (KorA-OA) | | Descriptor: | 5'-D(CP*CP*AP*AP*GP*TP*TP*TP*AP*GP*CP*TP*AP*AP*AP*CP*TP*TP*GP*GP*)-3', TrfB transcriptional repressor protein | | Authors: | White, S.A, Hyde, E.I, Rajasekar, K.V. | | Deposit date: | 2015-07-16 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator.
Nucleic Acids Res., 44, 2016
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5CKT
 | | Crystal Structure of KorA, a plasmid-encoded, global transcription regulator | | Descriptor: | ACETATE ION, TrfB transcriptional repressor protein | | Authors: | White, S.A, Hyde, E.I, Lovering, A.L. | | Deposit date: | 2015-07-15 | | Release date: | 2016-04-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator.
Nucleic Acids Res., 44, 2016
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5CM3
 | | Crystal Structure of KorA, a plasmid-encoded, global transcription regulator | | Descriptor: | 5'-D(CP*CP*AP*AP*GP*TP*TP*TP*AP*GP*CP*TP*AP*AP*AP*CP*TP*TP*GP*GP*)-3', TrfB transcriptional repressor protein | | Authors: | White, S.A, Hyde, E.I, Rajasekar, K.V. | | Deposit date: | 2015-07-16 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator.
Nucleic Acids Res., 44, 2016
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5IFR
 | | Structure of the stable UBE2D3-UbDha conjugate | | Descriptor: | GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3 | | Authors: | Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D. | | Deposit date: | 2016-02-26 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes.
Nat.Chem.Biol., 12, 2016
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4KGC
 | | Nucleosome Core Particle Containing (ETA6-P-CYMENE)-(1, 2-ETHYLENEDIAMINE)-RUTHENIUM | | Descriptor: | (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium, DNA (145-mer), Histone H2A, ... | | Authors: | Adhireksan, Z, Davey, C.A. | | Deposit date: | 2013-04-29 | | Release date: | 2014-03-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Ligand substitutions between ruthenium-cymene compounds can control protein versus DNA targeting and anticancer activity
Nat Commun, 5, 2014
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2VUW
 | | Structure of human haspin kinase domain | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Eswaran, J, Murray, J.W, Filippakopoulos, P, Soundararajan, M, Pike, A.C.W, von Delft, F, Picaud, S, Keates, T, King, O, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Fedorov, O, Burgess-Brown, N, Bray, J, Knapp, S. | | Deposit date: | 2008-05-30 | | Release date: | 2008-09-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and Functional Characterization of the Atypical Human Kinase Haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2LX5
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3AZC
 | | Crystal structure of the soluble part of cytochrome b6f complex iron-sulfur subunit from Thermosynechococcus elongatus BP-1 | | Descriptor: | Cytochrome b6-f complex iron-sulfur subunit, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Veit, S, Takeda, K, Tsunoyama, Y, Roegner, M, Miki, K. | | Deposit date: | 2011-05-23 | | Release date: | 2012-05-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a thermophilic cyanobacterial b(6)f-type Rieske protein
Acta Crystallogr.,Sect.D, 68, 2012
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2XZE
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6FHP
 | | DAIP in complex with a C-terminal fragment of thermolysin | | Descriptor: | Dispase autolysis-inducing protein, Thermolysin | | Authors: | Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A. | | Deposit date: | 2018-01-15 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018
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2I5P
 | | Crystal structure of glyceraldehyde-3-phosphate dehydrogenase isoform 1 from K. marxianus | | Descriptor: | BETA-MERCAPTOETHANOL, Glyceraldehyde-3-phosphate dehydrogenase 1, alpha-D-glucopyranose | | Authors: | Ferreira-da-Silva, F, Pereira, P.J.B, Gales, L, Moradas-Ferreira, P, Damas, A.M. | | Deposit date: | 2006-08-25 | | Release date: | 2006-09-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal and Solution Structures of Glyceraldehyde-3-phosphate Dehydrogenase Reveal Different Quaternary Structures.
J.Biol.Chem., 281, 2006
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3M42
 | | Crystal structure of MAPKAP kinase 2 (MK2) complexed with a tetracyclic ATP site inhibitor | | Descriptor: | 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2 | | Authors: | Scheufler, C, Revesz, L, Be, C, Izaac, A, Huppertz, C, Schlapbach, A, Kroemer, M. | | Deposit date: | 2010-03-10 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Novel pyrrolo[2,3-f]isoquinoline based MAPKAP-K2 (MK2) inhibitors with potent in vitro and in vivo activity
To be Published
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2W8C
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2W88
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2OQR
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2L9M
 | | Structure of cIAP1 CARD | | Descriptor: | Baculoviral IAP repeat-containing protein 2 | | Authors: | Day, C.L, Rautureau, G.J.P, Hinds, M.G. | | Deposit date: | 2011-02-21 | | Release date: | 2011-08-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | CARD-mediated autoinhibition of cIAP1's E3 ligase activity suppresses cell proliferation and migration.
Mol.Cell, 42, 2011
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4GJ7
 | | Crystal structure of renin in complex with NVP-BCA079 (compound 12a) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide, Renin, ... | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2012-08-09 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches.
J.Med.Chem., 56, 2013
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3PJC
 | | Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity within the Janus kinase family | | Descriptor: | 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione, Tyrosine-protein kinase JAK3 | | Authors: | Tavares, G.A, Thoma, G, Zerwes, H.-G, Kroemer, M. | | Deposit date: | 2010-11-09 | | Release date: | 2010-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of a Potent Janus Kinase 3 Inhibitor with High Selectivity within the Janus Kinase Family.
J.Med.Chem., 54, 2011
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4GJ5
 | | Crystal structure of renin in complex with NVP-AMQ838 (compound 5) | | Descriptor: | (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2012-08-09 | | Release date: | 2013-03-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches.
J.Med.Chem., 56, 2013
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4GJ6
 | | Crystal structure of renin in complex with NVP-AYZ832 (compound 6a) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-N-phenylaniline, Renin, ... | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2012-08-09 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches.
J.Med.Chem., 56, 2013
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3DLZ
 | | Crystal structure of human haspin in complex with AMP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Murray, J.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-30 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and functional characterization of the atypical human kinase haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3E0C
 | | Crystal Structure of DNA Damage-Binding protein 1(DDB1) | | Descriptor: | DNA damage-binding protein 1 | | Authors: | Amaya, M.F, Xu, L, Hao, H, Bountra, C, Wickstroem, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-07-31 | | Release date: | 2008-09-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
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