3UBT
 
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3UAS
 | | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | | Deposit date: | 2011-10-21 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.939 Å) | | Cite: | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
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3UBD
 | | Structure of N-terminal domain of RSK2 kinase in complex with flavonoid glycoside SL0101 | | Descriptor: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside, Ribosomal protein S6 kinase alpha-3 | | Authors: | Utepbergenov, D, Derewenda, U, Derewenda, Z.S. | | Deposit date: | 2011-10-24 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Insights into the Inhibition of the p90 Ribosomal S6 Kinase (RSK) by the Flavonol Glycoside SL0101 from the 1.5 A Crystal Structure of the N-Terminal Domain of RSK2 with Bound Inhibitor.
Biochemistry, 51, 2012
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3TI0
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3TLY
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3TN8
 | | CDK9/cyclin T in complex with CAN508 | | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-T1, Cyclin-dependent kinase 9, ... | | Authors: | Baumli, S, Hole, A.J, Endicott, J.E. | | Deposit date: | 2011-09-01 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
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3VEC
 | | Rhodococcus jostii RHA1 DypB D153A variant in complex with heme | | Descriptor: | CHLORIDE ION, DypB, GLYCEROL, ... | | Authors: | Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P. | | Deposit date: | 2012-01-07 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
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3VGI
 | | The crystal structure of hyperthermophilic family 12 endocellulase from Pyrococcus furiosus | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Endoglucanase A, ... | | Authors: | Kataoka, M, Kim, H.-W, Ishikawa, K. | | Deposit date: | 2011-08-11 | | Release date: | 2012-09-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Atomic resolution of the crystal structure of the hyperthermophilic family 12 endocellulase and stabilizing role of the DxDxDG calcium-binding motif in Pyrococcus furiosus.
Febs Lett., 586, 2012
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3V84
 | | Thaumatin by LB based Hanging Drop Vapour Diffusion after 1.81 MGy X-Ray dose at ESRF ID29 beamline (Worst Case) | | Descriptor: | GLYCEROL, Thaumatin I | | Authors: | Belmonte, L, Scudieri, D, Tripathi, S, Pechkova, E, Nicolini, C. | | Deposit date: | 2011-12-22 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Langmuir-Blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
CRIT.REV.EUKARYOT.GENE EXPR., 22, 2012
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3VHX
 | | The crystal structure of Arf6-MKLP1 (Mitotic kinesin-like protein 1) complex | | Descriptor: | ADP-ribosylation factor 6, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Makyio, H, Takei, T, Ohgi, H, Takahashi, S, Takatsu, H, Ueda, T, Kanaho, Y, Xie, Y, Shin, H.W, Kamikubo, H, Kataoka, M, Kawasaki, M, Kato, R, Wakatsuki, S, Nakayama, K. | | Deposit date: | 2011-09-12 | | Release date: | 2012-05-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Structural basis for Arf6-MKLP1 complex formation on the Flemming body responsible for cytokinesis
Embo J., 31, 2012
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3VL4
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3V9P
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3VM0
 | | Assimilatory nitrite reductase (Nii3) - N226K mutant - NO2 complex from tobacco leaf | | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, NITRITE ION, ... | | Authors: | Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K. | | Deposit date: | 2011-12-05 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | X-ray crystal structure of a mutant assimilatory nitrite reductase that shows sulfite reductase-like activity
Chem.Biodivers., 9, 2012
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3VAJ
 | | Structure of U2AF65 variant with BrU5C6 DNA | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*CP*U)-3'), GLYCEROL, ... | | Authors: | Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2011-12-29 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs.
Nucleic Acids Res., 41, 2013
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3VNT
 | | Crystal Structure of the Kinase domain of Human VEGFR2 with a [1,3]thiazolo[5,4-b]pyridine derivative | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Vascular endothelial growth factor receptor 2 | | Authors: | Oki, H. | | Deposit date: | 2012-01-17 | | Release date: | 2012-04-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds
J.Med.Chem., 55, 2012
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3VO3
 | | Crystal Structure of the Kinase domain of Human VEGFR2 with imidazo[1,2-b]pyridazine derivative | | Descriptor: | 1,2-ETHANEDIOL, N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide, Vascular endothelial growth factor receptor 2 | | Authors: | Oki, H, Okada, K. | | Deposit date: | 2012-01-19 | | Release date: | 2013-03-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor
Bioorg.Med.Chem., 21, 2013
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3VOK
 | | X-ray Crystal Structure of Wild Type HrtR in the Apo Form with the Target DNA. | | Descriptor: | 5'-D(*AP*TP*GP*AP*CP*AP*CP*TP*GP*TP*GP*TP*CP*AP*T)-3', Transcriptional regulator | | Authors: | Sawai, H, Sugimoto, H, Shiro, Y, Aono, S. | | Deposit date: | 2012-01-27 | | Release date: | 2012-07-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for the Transcriptional Regulation of Heme Homeostasis in Lactococcus lactis.
J.Biol.Chem., 287, 2012
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3VOX
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3VK1
 | | Green-fluorescent variant of the non-fluorescent chromoprotein Rtms5 | | Descriptor: | CHLORIDE ION, GFP-like non-fluorescent chromoprotein, IODIDE ION | | Authors: | Battad, J.M, Traore, D.A.K, Wilce, M, Byres, M, Rossjohn, J, Devenish, R.J, Prescott, M. | | Deposit date: | 2011-11-07 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Green Fluorescent Protein Containing a QFG Tri-Peptide Chromophore: Optical Properties and X-Ray Crystal Structure.
Plos One, 7, 2012
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3VM1
 | | assimilatory nitrite reductase (Nii3) - N226K mutant - HCO3 complex from tobacco leaf | | Descriptor: | BICARBONATE ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | Authors: | Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K. | | Deposit date: | 2011-12-05 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray crystal structure of a mutant assimilatory nitrite reductase that shows sulfite reductase-like activity
Chem.Biodivers., 9, 2012
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3VPK
 | | Crystal Structure of 6-Guanidinohexanoyl Trypsin | | Descriptor: | 6-carbamimidamidohexanoic acid, CALCIUM ION, Cationic trypsin, ... | | Authors: | Masuda, Y, Nitanai, Y, Mizutani, R, Noguchi, S. | | Deposit date: | 2012-03-05 | | Release date: | 2012-05-23 | | Last modified: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of 6-guanidinohexanoyl trypsin near the optimum pH reveals the acyl-enzyme intermediate to be deacylated
Proteins, 2012
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3V9J
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3VAI
 | | Structure of U2AF65 variant with BrU3C5 DNA | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA 5'-D(*UP*UP*(BRU)P*UP*CP*UP*U)-3', GLYCEROL, ... | | Authors: | Jenkins, J.L, Frato, K.H, Kielkopf, C.L. | | Deposit date: | 2011-12-29 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs.
Nucleic Acids Res., 41, 2013
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3VAS
 | | Adenosine kinase from Schistosoma mansoni in complex with adenosine in occluded loop conformation | | Descriptor: | ADENOSINE, CHLORIDE ION, Putative adenosine kinase | | Authors: | Romanello, L, Bachega, F.R, Garatt, R.C, DeMarco, R, Brandao-neto, J, Pereira, H.M. | | Deposit date: | 2011-12-29 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Acta Crystallogr.,Sect.D, 69, 2013
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3VCO
 | | Schistosoma mansoni Dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, SULFATE ION | | Authors: | Serrao, V.H.B, Romanello, L, Cassago, A, DeMarco, R, Pereira, H.M. | | Deposit date: | 2012-01-04 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.946 Å) | | Cite: | Structure and kinetics assays of recombinant Schistosoma mansoni dihydrofolate reductase.
Acta Trop., 170, 2017
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