3AXX
 
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3AY5
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3AY3
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3B0V
 | | tRNA-dihydrouridine synthase from Thermus thermophilus in complex with tRNA | | Descriptor: | FLAVIN MONONUCLEOTIDE, tRNA, tRNA-dihydrouridine synthase | | Authors: | Yu, F, Tanaka, Y, Yamashita, K, Nakamura, A, Yao, M, Tanaka, I. | | Deposit date: | 2011-06-14 | | Release date: | 2011-12-14 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | Molecular basis of dihydrouridine formation on tRNA
Proc.Natl.Acad.Sci.USA, 108, 2011
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3B26
 | | Hsp90 alpha N-terminal domain in complex with an inhibitor Ro1127850 | | Descriptor: | 4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-07-21 | | Release date: | 2011-09-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
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3B0N
 | | Q448K mutant of assimilatory nitrite reductase (Nii3) from tobbaco leaf | | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Nitrite reductase, ... | | Authors: | Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K. | | Deposit date: | 2011-06-10 | | Release date: | 2012-02-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-function relationship of assimilatory nitrite reductases from the leaf and root of tobacco based on high resolution structures
Protein Sci., 21, 2012
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3B07
 | | Crystal structure of octameric pore form of gamma-hemolysin from Staphylococcus aureus | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Gamma-hemolysin component A, Gamma-hemolysin component B | | Authors: | Yamashita, K, Kawai, Y, Tanaka, Y, Yao, M, Tanaka, I. | | Deposit date: | 2011-06-06 | | Release date: | 2011-10-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | Crystal structure of the octameric pore of
staphylococcal gamma-hemolysin reveals the beta-barrel
pore formation mechanism by two components
Proc.Natl.Acad.Sci.USA, 108, 2011
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3B27
 | | Hsp90 alpha N-terminal domain in complex with an inhibitor Ro4919127 | | Descriptor: | 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-07-21 | | Release date: | 2011-09-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
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3B2K
 | | Iodide derivative of human LFABP | | Descriptor: | Fatty acid-binding protein, liver, IODIDE ION, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2011-08-03 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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3B25
 | | Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194 | | Descriptor: | 4-Methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine, Heat shock protein HSP 90-alpha | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-07-21 | | Release date: | 2011-09-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
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3B2H
 | | Iodide derivative of human LFABP at high resolution | | Descriptor: | Fatty acid-binding protein, liver, IODIDE ION, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2011-08-03 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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3B0G
 | | Assimilatory nitrite reductase (Nii3) from tobbaco leaf | | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Nitrite reductase, ... | | Authors: | Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K. | | Deposit date: | 2011-06-09 | | Release date: | 2012-02-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure-function relationship of assimilatory nitrite reductases from the leaf and root of tobacco based on high resolution structures
Protein Sci., 21, 2012
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3B1V
 | | Crystal structure of an S. thermophilus NFeoB E67A mutant bound to mGMPPNP | | Descriptor: | 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate, CHLORIDE ION, Ferrous iron uptake transporter protein B, ... | | Authors: | Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M. | | Deposit date: | 2011-07-15 | | Release date: | 2011-11-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A suite of Switch I and Switch II mutant structures from the G-protein domain of FeoB
Acta Crystallogr.,Sect.D, 67, 2011
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3B2L
 | | Iodide derivative of human LFABP | | Descriptor: | Fatty acid-binding protein, liver, IODIDE ION, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2011-08-03 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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3B1Z
 | | Crystal structure of an S. thermophilus NFeoB T35S mutant without nucleotide | | Descriptor: | Ferrous iron uptake transporter protein B, SULFATE ION | | Authors: | Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M. | | Deposit date: | 2011-07-15 | | Release date: | 2011-11-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A suite of Switch I and Switch II mutant structures from the G-protein domain of FeoB
Acta Crystallogr.,Sect.D, 67, 2011
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3DV5
 | | Crystal structure of human beta-secretase in complex with NVP-BAV544 | | Descriptor: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1 | | Authors: | Rondeau, J.-M. | | Deposit date: | 2008-07-18 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.
Bioorg.Med.Chem.Lett., 19, 2009
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3DVZ
 | | Crystal Structure of the Sarcin/Ricin Domain from E. coli 23 S rRNA | | Descriptor: | GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA | | Authors: | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | | Deposit date: | 2008-07-21 | | Release date: | 2009-03-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
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3DU8
 | | Crystal structure of GSK-3 beta in complex with NMS-869553A | | Descriptor: | (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Glycogen synthase kinase-3 beta | | Authors: | Bossi, R.T. | | Deposit date: | 2008-07-17 | | Release date: | 2009-03-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery.
J.Med.Chem., 52, 2009
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3DUU
 | | Crystal structure of SAG506-01, orthorhombic, twinned, crystal 2 | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ... | | Authors: | Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V. | | Deposit date: | 2008-07-17 | | Release date: | 2008-12-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
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3DV3
 | | MEK1 with PF-04622664 Bound | | Descriptor: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Kazmirski, S.L, Kothe, M, Ding, Y.-H. | | Deposit date: | 2008-07-18 | | Release date: | 2009-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
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3DVE
 | | Crystal Structure of Ca2+/CaM-CaV2.2 IQ domain complex | | Descriptor: | CALCIUM ION, Calmodulin, NICKEL (II) ION, ... | | Authors: | Kim, E.Y, Rumpf, C.H, Fujiwara, Y, Cooley, E.S, Van Petegem, F, Minor, D.L. | | Deposit date: | 2008-07-18 | | Release date: | 2008-11-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structures of Ca(V)2 Ca(2+)/CaM-IQ Domain Complexes Reveal Binding Modes that Underlie Calcium-Dependent Inactivation and Facilitation.
Structure, 16, 2008
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3E00
 | | Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with GW9662, 9-cis Retinoic Acid and NCOA2 Peptide | | Descriptor: | (9cis)-retinoic acid, 2-chloro-5-nitro-N-phenylbenzamide, DNA (5'-D(*DCP*DAP*DAP*DAP*DCP*DTP*DAP*DGP*DGP*DTP*DCP*DAP*DAP*DAP*DGP*DGP*DTP*DCP*DAP*DG)-3'), ... | | Authors: | Chandra, V, Huang, P, Hamuro, Y, Raghuram, S, Wang, Y, Burris, T.P, Rastinejad, F. | | Deposit date: | 2008-07-30 | | Release date: | 2008-10-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the intact PPAR-gamma-RXR- nuclear receptor complex on DNA.
Nature, 456, 2008
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3E1K
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3DWN
 | | Crystal structure of the long-chain fatty acid transporter FadL mutant A77E/S100R | | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | | Deposit date: | 2008-07-22 | | Release date: | 2008-12-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall.
Nature, 458, 2009
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3DQ3
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