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3KBZ
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BU of 3kbz by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 6
Descriptor: Fructose-1,6-bisphosphatase 1, {[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KC1
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BU of 3kc1 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a
Descriptor: Fructose-1,6-bisphosphatase 1, {[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KGU
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BU of 3kgu by Molmil
Wild type human transthyretin (TTR) complexed with genistein (TTRwt:GEN) pH 7.5
Descriptor: GENISTEIN, Transthyretin
Authors:Trivella, D.B, Polikarpov, I.
Deposit date:2009-10-29
Release date:2010-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding.
J.Struct.Biol., 170, 2010
3J4S
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BU of 3j4s by Molmil
Helical Model of TubZ-Bt four-stranded filament
Descriptor: FtsZ/tubulin-related protein, GUANOSINE-5'-DIPHOSPHATE
Authors:Montabana, E.A, Agard, D.A.
Deposit date:2013-10-03
Release date:2014-02-19
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Bacterial tubulin TubZ-Bt transitions between a two-stranded intermediate and a four-stranded filament upon GTP hydrolysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
3J4T
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BU of 3j4t by Molmil
Helical model of TubZ-Bt two-stranded filament
Descriptor: FtsZ/tubulin-related protein
Authors:Agard, D.A, Montabana, E.A.
Deposit date:2013-10-04
Release date:2014-02-19
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (10.8 Å)
Cite:Bacterial tubulin TubZ-Bt transitions between a two-stranded intermediate and a four-stranded filament upon GTP hydrolysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
3JXU
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BU of 3jxu by Molmil
Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1, MAGNESIUM ION, ...
Authors:Wisniewska, M.M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-21
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
3K1R
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BU of 3k1r by Molmil
Structure of harmonin NPDZ1 in complex with the SAM-PBM of Sans
Descriptor: Harmonin, Usher syndrome type-1G protein
Authors:Pan, L, Yan, J, Zhang, M.
Deposit date:2009-09-28
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of the harmonin/sans complex reveals an unexpected interaction mode of the two Usher syndrome proteins
Proc.Natl.Acad.Sci.USA, 107, 2010
3KHF
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BU of 3khf by Molmil
The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated serine/threonine-protein kinase 3
Authors:Roos, A, Elkins, J, Savitsky, P, Wang, J, Ugochukwu, E, Murray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-10-30
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3)
To be Published
3KJ2
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BU of 3kj2 by Molmil
Mcl-1 in complex with Bim BH3 mutant F4aE
Descriptor: ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Fire, E, Grant, R.A, Keating, A.E.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
3KJO
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BU of 3kjo by Molmil
Crystal Structure of hPOT1V2-dTrUd(AGGGTTAG)
Descriptor: DNA/RNA (5'-D(*T)-R(P*U)-D(P*AP*GP*GP*GP*TP*TP*AP*G)-3'), Protection of telomeres protein 1
Authors:Nandakumar, J, Cech, T.R, Podell, E.R.
Deposit date:2009-11-03
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:How telomeric protein POT1 avoids RNA to achieve specificity for single-stranded DNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KGA
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BU of 3kga by Molmil
Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor
Descriptor: 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2
Authors:Kroemer, M, Velcicky, J, Izaac, A, Be, C, Huppertz, C, Pflieger, D, Schlapbach, A, Scheufler, C.
Deposit date:2009-10-28
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
Bioorg.Med.Chem.Lett., 20, 2010
3KDF
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BU of 3kdf by Molmil
X-ray Crystal Structure of the Human Replication Protein A Complex from Wheat Germ Cell Free Expression
Descriptor: 1,2-ETHANEDIOL, Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit
Authors:Burgie, E.S, Bingman, C.A, Phillips Jr, G.N, Fox, B.G, Makino, S.-I, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2009-10-22
Release date:2009-12-01
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:X-ray Crystal Structure of the Human Replication Protein A Complex from Wheat Germ Cell Free Expression
To be Published
3KGT
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BU of 3kgt by Molmil
V30M mutant human transthyretin (TTR) complexed with genistein (V30M:GEN) pH 7.5
Descriptor: GENISTEIN, Transthyretin
Authors:Trivella, D.B, Polikarpov, I.
Deposit date:2009-10-29
Release date:2010-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding.
J.Struct.Biol., 170, 2010
3KGS
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BU of 3kgs by Molmil
V30M mutant human transthyretin (TTR) (apoV30M) pH 7.5
Descriptor: Transthyretin
Authors:Trivella, D.B, Polikarpov, I.
Deposit date:2009-10-29
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding.
J.Struct.Biol., 170, 2010
3JVR
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BU of 3jvr by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
Descriptor: (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1
Authors:Chen, P.
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
3JXF
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BU of 3jxf by Molmil
CA-like domain of human PTPRZ
Descriptor: Receptor-type tyrosine-protein phosphatase zeta
Authors:Bouyain, S.
Deposit date:2009-09-19
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
3JT0
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BU of 3jt0 by Molmil
Crystal Structure of the C-terminal fragment (426-558) Lamin-B1 from Homo sapiens, Northeast Structural Genomics Consortium Target HR5546A
Descriptor: Lamin-B1
Authors:Kuzin, A, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-09-11
Release date:2009-09-22
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Northeast Structural Genomics Consortium Target HR5546A
To be Published
3K9B
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BU of 3k9b by Molmil
Crystal structure of human liver carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Cyclosarin (GF)
Descriptor: Liver carboxylesterase 1, cyclohexyl (S)-methylphosphonofluoridoate
Authors:Hemmert, A.C, Redinbo, M.R.
Deposit date:2009-10-15
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human carboxylesterase 1 stereoselectively binds the nerve agent cyclosarin and spontaneously hydrolyzes the nerve agent sarin.
Mol.Pharmacol., 77, 2010
3JYA
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BU of 3jya by Molmil
Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
Descriptor: 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Stoll, V.S.
Deposit date:2009-09-21
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
TO BE PUBLISHED
3K77
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BU of 3k77 by Molmil
X-ray crystal structure of XRCC1
Descriptor: DNA repair protein XRCC1
Authors:Cuneo, M.J, London, R.E.
Deposit date:2009-10-12
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Oxidation state of the XRCC1 N-terminal domain regulates DNA polymerase beta binding affinity.
Proc.Natl.Acad.Sci.USA, 107, 2010
3K7V
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BU of 3k7v by Molmil
Protein phosphatase 2A core complex bound to dinophysistoxin-1
Descriptor: (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ...
Authors:Jeffrey, P.D, Huhn, J, Shi, Y.
Deposit date:2009-10-13
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A structural basis for the reduced toxicity of dinophysistoxin-2.
Chem.Res.Toxicol., 22, 2009
3KVF
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BU of 3kvf by Molmil
Crystal structure of the I93M mutant of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester
Descriptor: METHYL 4-AMINOBUTANOATE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L1
Authors:Davies, C.W, Maiti, T.K, Das, C.
Deposit date:2009-11-30
Release date:2010-06-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ubiquitin vinyl methyl ester binding orients the misaligned active site of the ubiquitin hydrolase UCHL1 into productive conformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KVQ
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BU of 3kvq by Molmil
Crystal structure of VEGFR2 extracellular domain D7
Descriptor: Vascular endothelial growth factor receptor 2
Authors:Yang, Y, Opatowsky, Y, Xie, P, Schlessinger, J.
Deposit date:2009-11-30
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Direct contacts between extracellular membrane-proximal domains are required for VEGF receptor activation and cell signaling
Proc.Natl.Acad.Sci.USA, 107, 2010
3KW5
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BU of 3kw5 by Molmil
Crystal structure of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester
Descriptor: METHYL 4-AMINOBUTANOATE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L1
Authors:Maiti, T.K, Boudreaux, D.A, Das, C.
Deposit date:2009-11-30
Release date:2010-06-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Ubiquitin vinyl methyl ester binding orients the misaligned active site of the ubiquitin hydrolase UCHL1 into productive conformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KJY
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BU of 3kjy by Molmil
Crystal structure of reduced HOMO SAPIENS CLIC3
Descriptor: Chloride intracellular channel protein 3, SULFATE ION
Authors:Littler, D.R, Curmi, P.M.G, Breit, S.N, Perrakis, A.
Deposit date:2009-11-04
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of human CLIC3 at 2 A resolution
Proteins, 78, 2010

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