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3HX6
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BU of 3hx6 by Molmil
Crystal structure of Pseudomonas aeruginosa PilY1 C-terminal domain
Descriptor: CALCIUM ION, Type 4 fimbrial biogenesis protein PilY1
Authors:Redinbo, M.R, Orans, J.
Deposit date:2009-06-19
Release date:2010-01-26
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure analysis reveals Pseudomonas PilY1 as an essential calcium-dependent regulator of bacterial surface motility.
Proc.Natl.Acad.Sci.USA, 107, 2010
3IKA
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BU of 3ika by Molmil
Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002
Descriptor: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2009-08-05
Release date:2010-01-12
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel mutant-selective EGFR kinase inhibitors against EGFR T790M.
Nature, 462, 2009
3IN5
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BU of 3in5 by Molmil
Structure of human DNA polymerase kappa inserting dATP opposite an 8-oxoG DNA lesion
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*C*CP*TP*AP*(8OG)P*GP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*G*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*(DOC))-3'), ...
Authors:Silverstein, T.D, Vasquez-Del Carpio, R, Aggarwal, A.K.
Deposit date:2009-08-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of human DNA polymerase kappa inserting dATP opposite an 8-oxoG DNA lesion
PLOS ONE, 4, 2009
3IFK
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BU of 3ifk by Molmil
Crystal Structure Of Calcium-Saturated Calmodulin N-terminal Domain Fragment, Residues 1-90
Descriptor: CALCIUM ION, CALMODULIN
Authors:Witt, T.J, Newman, R.A, Shea, M.A.
Deposit date:2009-07-24
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Thermodynamics and conformational change governing domain-domain interactions of calmodulin.
Methods Enzymol., 466, 2009
3ESX
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BU of 3esx by Molmil
E16KE61KD126KD150K Flavodoxin from Anabaena
Descriptor: CALCIUM ION, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Herguedas, B, Hermoso, J.A, Martinez-Julvez, M, Goni, G, Medina, M.
Deposit date:2008-10-06
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
3EQL
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BU of 3eql by Molmil
Crystal structure of the T. Thermophilus RNA polymerase holoenzyme in complex with antibiotic myxopyronin
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Vassylyev, D.G, Vassylyeva, M.N, Artsimovitch, I.
Deposit date:2008-09-30
Release date:2008-10-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Transcription inactivation through local refolding of the RNA polymerase structure.
Nature, 457, 2009
3DYL
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BU of 3dyl by Molmil
human phosphdiesterase 9 substrate complex (ES complex)
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, FORMIC ACID, ...
Authors:Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
Deposit date:2008-07-28
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DKX
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BU of 3dkx by Molmil
Crystal Structure of the replication initiator protein encoded on plasmid pMV158 (RepB), trigonal form, to 2.7 Ang resolution
Descriptor: CHLORIDE ION, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Boer, D.R, Ruiz-Maso, J.A, Blanco, A.G, Vives-Llacer, M, Uson, I, Gomis-Ruth, F.X, Espinosa, M, Del Solar, G, Coll, M.
Deposit date:2008-06-26
Release date:2009-06-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Plasmid replication initiator RepB forms a hexamer reminiscent of ring helicases and has mobile nuclease domains
Embo J., 28, 2009
3DY8
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BU of 3dy8 by Molmil
Human Phosphodiesterase 9 in complex with product 5'-GMP (E+P complex)
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, FORMIC ACID, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
Deposit date:2008-07-25
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DYN
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BU of 3dyn by Molmil
human phosphodiestrase 9 in complex with cGMP (Zn inhibited)
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ...
Authors:Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
Deposit date:2008-07-28
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CJG
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BU of 3cjg by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
Descriptor: N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
Authors:Nolte, R.T.
Deposit date:2008-03-12
Release date:2008-10-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
3G0Y
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BU of 3g0y by Molmil
Structure of E. coli FabF(C163Q) in complex with dihydroplatensimycin
Descriptor: 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-01-29
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis and biological evaluation of platensimycin analogs.
Bioorg.Med.Chem.Lett., 19, 2009
3GCW
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BU of 3gcw by Molmil
PCSK9:EGFA(H306Y)
Descriptor: CALCIUM ION, Low-density lipoprotein receptor, Proprotein convertase subtilisin/kexin type 9
Authors:Kwon, H.J.
Deposit date:2009-02-22
Release date:2009-03-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Antagonism of Secreted PCSK9 Increases Low Density Lipoprotein Receptor Expression in HepG2 Cells.
J.Biol.Chem., 284, 2009
3D5J
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BU of 3d5j by Molmil
Structure of yeast Grx2-C30S mutant with glutathionyl mixed disulfide
Descriptor: GLUTATHIONE, Glutaredoxin-2, mitochondrial
Authors:Discola, K.F, de Oliveira, M.A, Barcena, J.A, Porras, P, Padilla, C.A, Guimaraes, B.G, Netto, L.E.S.
Deposit date:2008-05-16
Release date:2008-10-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural aspects of the distinct biochemical properties of glutaredoxin 1 and glutaredoxin 2 from Saccharomyces cerevisiae.
J.Mol.Biol., 385, 2009
3D4M
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BU of 3d4m by Molmil
Glutaredoxin 2 oxidized structure
Descriptor: Glutaredoxin-2, mitochondrial
Authors:Discola, K.F, de Oliveira, M.A, Barcena, J.A, Porras, P, Guimaraes, B.G, Netto, L.E.S.
Deposit date:2008-05-14
Release date:2008-10-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural aspects of the distinct biochemical properties of glutaredoxin 1 and glutaredoxin 2 from Saccharomyces cerevisiae.
J.Mol.Biol., 385, 2009
3I6B
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BU of 3i6b by Molmil
Crystal structure of YrbI lacking the last 8 residues, in complex with Kdo and inorganic phosphate
Descriptor: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, ...
Authors:Biswas, T, Tsodikov, O.V.
Deposit date:2009-07-06
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
3CEN
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BU of 3cen by Molmil
Factor XA in complex with the inhibitor N-(2-(((5-chloro-2-pyridinyl) amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide
Descriptor: COAGULATION FACTOR X, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Chang, C.-H.
Deposit date:2008-02-29
Release date:2008-05-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Activity Relationships of Anthranilamide-Based Factor Xa Inhibitors Containing Piperidinone and Pyridinone P4 Moieties
Bioorg.Med.Chem.Lett., 18, 2008
3CKD
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BU of 3ckd by Molmil
Crystal structure of the C-terminal domain of the Shigella type III effector IpaH
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Invasion plasmid antigen, ...
Authors:Lam, R, Singer, A.U, Cuff, M.E, Skarina, T, Kagan, O, DiLeo, R, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-14
Release date:2008-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the Shigella T3SS effector IpaH defines a new class of E3 ubiquitin ligases.
Nat.Struct.Mol.Biol., 15, 2008
3I7G
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BU of 3i7g by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
Descriptor: 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A.
Deposit date:2009-07-08
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3F3T
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BU of 3f3t by Molmil
Kinase domain of cSrc in complex with inhibitor RL38 (Type III)
Descriptor: 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Proto-oncogene tyrosine-protein kinase Src
Authors:Gruetter, C, Klueter, S, Getlik, M, Rauh, D.
Deposit date:2008-10-31
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new screening assay for allosteric inhibitors of cSrc
Nat.Chem.Biol., 5, 2009
3FF5
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BU of 3ff5 by Molmil
Crystal structure of the conserved N-terminal domain of the peroxisomal matrix-protein-import receptor, Pex14p
Descriptor: Peroxisomal biogenesis factor 14, decyl 2-trimethylazaniumylethyl phosphate
Authors:Su, J.-R, Takeda, K, Tamura, S, Fujiki, Y, Miki, K.
Deposit date:2008-12-01
Release date:2008-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the conserved N-terminal domain of the peroxisomal matrix protein import receptor, Pex14p
Proc.Natl.Acad.Sci.USA, 106, 2009
3HYC
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BU of 3hyc by Molmil
Crystal structure of E. coli phosphatase YrbI, with Mg, tetragonal form
Descriptor: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION, MAGNESIUM ION
Authors:Tsodikov, O.V, Biswas, T.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
3DKY
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BU of 3dky by Molmil
Crystal Structure of the replication initiator protein encoded on plasmid pMV158 (RepB), tetragonal form, to 3.6 Ang resolution
Descriptor: MANGANESE (II) ION, Replication protein repB
Authors:Boer, D.R, Ruiz-Maso, J.A, Blanco, A.G, Vives-Llacer, M, Uson, I, Gomis-Ruth, F.X, Espinosa, M, Del Solar, G, Coll, M.
Deposit date:2008-06-26
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Plasmid replication initiator RepB forms a hexamer reminiscent of ring helicases and has mobile nuclease domains
Embo J., 28, 2009
3I7I
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BU of 3i7i by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
Descriptor: CALCIUM ION, Collagenase 3, N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide, ...
Authors:Farrow, N.A, Margarit, S.M.
Deposit date:2009-07-08
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3DVN
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BU of 3dvn by Molmil
Crystal structure of K63-specific fab Apu2.16 bound to K63-linked di-ubiquitin
Descriptor: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
Authors:Hymowitz, S.G.
Deposit date:2008-07-18
Release date:2008-09-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies.
Cell(Cambridge,Mass.), 134, 2008

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