4GXO
 
 | | Crystal structure of Staphylococcus aureus protein SarZ mutant C13E | | Descriptor: | GLYCEROL, MarR family regulatory protein | | Authors: | Sun, F, Ding, Y, Ji, Q, Liang, Z, Deng, X, Wong, C.C, Yi, C, Zhang, L, Xie, S, Alvarez, S, Hicks, L.M, Luo, C, Jiang, H, Lan, L, He, C. | | Deposit date: | 2012-09-04 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2VV1
 | | hPPARgamma Ligand binding domain in complex with 4-HDHA | | Descriptor: | (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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2O63
 | | Crystal structure of Pim1 with Myricetin | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-06 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
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2OBJ
 | | Crystal structure of human PIM-1 Kinase in complex with inhibitor | | Descriptor: | 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Yao, N, Cheney, I.W, Yan, S. | | Deposit date: | 2006-12-19 | | Release date: | 2007-02-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification and structure-activity relationships of substituted pyridones as inhibitors of Pim-1 kinase.
Bioorg.Med.Chem.Lett., 17, 2007
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4HKU
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3R01
 | | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | | Descriptor: | 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | | Authors: | Liu, J. | | Deposit date: | 2011-03-07 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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2ZFN
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2L49
 | | The solution structure of the P2 C,the immunity repressor of the P2 bacteriophage | | Descriptor: | C protein | | Authors: | Massad, T, Papadopolos, E, Stenmark, P, Damberg, P. | | Deposit date: | 2010-10-01 | | Release date: | 2010-10-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The C repressor of the P2 bacteriophage.
J.Biomol.Nmr, 64, 2016
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2IW8
 | | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A F82H-L83V-H84D MUTANT WITH AN O6-CYCLOHEXYLMETHYLGUANINE INHIBITOR | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, MONOTHIOGLYCEROL, ... | | Authors: | Pratt, D.J, Bentley, J, Jewsbury, P, Boyle, F.T, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2006-06-27 | | Release date: | 2006-09-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
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2RKI
 | | Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI | | Descriptor: | 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole, CHLORIDE ION, GLYCEROL, ... | | Authors: | Lansdon, E.B, Kirschberg, T.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Triazole derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase-structure-activity relationships and crystallographic analysis.
Bioorg.Med.Chem.Lett., 18, 2008
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2IW9
 | | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, MAGNESIUM ION, ... | | Authors: | Pratt, D.J, Bentley, J, Jewsbury, P, Boyle, F.T, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2006-06-27 | | Release date: | 2006-09-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
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2IW6
 | | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, MAGNESIUM ION, ... | | Authors: | Pratt, D.J, Bentley, J, Jewsbury, P, Boyle, F.T, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2006-06-26 | | Release date: | 2006-09-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
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2J9M
 | | Crystal Structure of CDK2 in complex with Macrocyclic Aminopyrimidine | | Descriptor: | 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Schaefer, M, Luecking, U, Siemeister, G, Briem, H, Krueger, M, Lienau, P, Jautelat, R. | | Deposit date: | 2006-11-13 | | Release date: | 2007-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Macrocyclic Aminopyrimidines as Multitarget Cdk and Vegf-R Inhibitors with Potent Antiproliferative Activities.
Chemmedchem, 2, 2007
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3UMP
 | | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with Cesium and ATP | | Descriptor: | 6-phosphofructokinase isozyme 2, ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, ... | | Authors: | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Garratt, R.C, Babul, J. | | Deposit date: | 2011-11-14 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | A Ribokinase Family Conserved Monovalent Cation Binding Site Enhances the MgATP-induced Inhibition in E. coli Phosphofructokinase-2
Biophys.J., 105, 2013
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3CRJ
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8C76
 | | Light-state 2.5 Angstrom wild-type X-ray crystal structure of the cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions from a form 2 crystal illuminated during 5 s | | Descriptor: | COBALAMIN, Probable transcriptional regulator | | Authors: | Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M. | | Deposit date: | 2023-01-12 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
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8C73
 | | Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition form ll | | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Probable transcriptional regulator | | Authors: | Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M. | | Deposit date: | 2023-01-12 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
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5EAL
 | | Crystal structure of human WDR5 in complex with compound 9h | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ... | | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-10-16 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human WDR5 in complex with compound 9h
to be published
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3DCV
 | | Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one | | Descriptor: | 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Bellamacina, C.R, Shafer, C.M, Lindvall, M, Gesner, T.G, Yabannavar, A, Weiping, J, Song, L, Walter, A. | | Deposit date: | 2008-06-04 | | Release date: | 2008-08-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3UMO
 | | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with Potassium | | Descriptor: | 6-phosphofructokinase isozyme 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Garratt, R.C, Babul, J. | | Deposit date: | 2011-11-14 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | A Ribokinase Family Conserved Monovalent Cation Binding Site Enhances the MgATP-induced Inhibition in E. coli Phosphofructokinase-2
Biophys.J., 105, 2013
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3UP0
 | | Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid | | Descriptor: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid, Nuclear receptor coactivator 2, aceDAF-12 | | Authors: | Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E. | | Deposit date: | 2011-11-17 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes.
J.Biol.Chem., 287, 2012
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8HWD
 | | Cryo-EM Structure of D5 ADP form | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Primase D5 | | Authors: | Li, Y.N, Zhu, J, Guo, Y.Y, Yan, R.H. | | Deposit date: | 2022-12-29 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insight into the assembly and working mechanism of helicase-primase D5 from Mpox virus.
Nat.Struct.Mol.Biol., 31, 2024
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8HWE
 | | Cryo-EM Structure of D5 ATP-ADP form | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Li, Y.N, Zhu, J, Guo, Y.Y, Yan, R.H. | | Deposit date: | 2022-12-29 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insight into the assembly and working mechanism of helicase-primase D5 from Mpox virus.
Nat.Struct.Mol.Biol., 31, 2024
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3VOE
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2RF2
 | | HIV reverse transcriptase in complex with inhibitor 7e (NNRTI) | | Descriptor: | 5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide, Reverse transcriptase/ribonuclease H (EC 2.7.7.49) (EC 2.7.7.7) (EC 3.1.26.4) (p66 RT) | | Authors: | Yan, Y, Prasad, S. | | Deposit date: | 2007-09-27 | | Release date: | 2008-01-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel indole-3-sulfonamides as potent HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs).
Bioorg.Med.Chem.Lett., 18, 2008
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