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2VV0
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BU of 2vv0 by Molmil
hPPARgamma Ligand binding domain in complex with DHA
Descriptor: DOCOSA-4,7,10,13,16,19-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 (2.55 Å)
Cite:Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
3DVS
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BU of 3dvs by Molmil
Proteinase K by LB nanotmplate method after the second step of high dose on ESRF ID14-2 beamline
Descriptor: CALCIUM ION, Proteinase K
Authors:Pechkova, E, Tripathi, S.K, Nicolini, C.
Deposit date:2008-07-20
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective
To be Published
3DWD
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BU of 3dwd by Molmil
Crystal structure of the ArfGAP domain of human ARFGAP1
Descriptor: ADP-ribosylation factor GTPase-activating protein 1, UNKNOWN ATOM OR ION, ZINC ION
Authors:Nedyalkova, L, Tong, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-07-22
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the ArfGAP domain of human ARFGAP1
To be Published
3DV1
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BU of 3dv1 by Molmil
Crystal structure of human beta-secretase in complex with NVP-ARV999
Descriptor: (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide, 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
3LLK
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BU of 3llk by Molmil
Sulfhydryl Oxidase Fragment of Human QSOX1
Descriptor: CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Sulfhydryl oxidase 1
Authors:Alon, A, Fass, D.
Deposit date:2010-01-29
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:QSOX contains a pseudo-dimer of functional and degenerate sulfhydryl oxidase domains.
Febs Lett., 584, 2010
3DYB
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BU of 3dyb by Molmil
proteinase K- digalacturonic acid complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Proteinase K, ...
Authors:Larson, S.B, Day, J.S, McPherson, A, Cudney, R, Nguyen, C, Center for High-Throughput Structural Biology (CHTSB)
Deposit date:2008-07-25
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:High-resolution structure of proteinase K cocrystallized with digalacturonic acid.
Acta Crystallogr.,Sect.F, 65, 2009
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
3DM0
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BU of 3dm0 by Molmil
Maltose Binding Protein fusion with RACK1 from A. thaliana
Descriptor: 1,2-ETHANEDIOL, Maltose-binding periplasmic protein fused with RACK1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ullah, H, Scappini, E.L, Moon, A.F, Williams, L.V, Armstrong, D.L, Pedersen, L.C.
Deposit date:2008-06-30
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a signal transduction regulator, RACK1, from Arabidopsis thaliana.
Protein Sci., 17, 2008
3GT4
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BU of 3gt4 by Molmil
Structure of proteinase K with the magic triangle I3C
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, SULFATE ION, proteinase K
Authors:Beck, T, Gruene, T, Sheldrick, G.M.
Deposit date:2009-03-27
Release date:2009-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The magic triangle goes MAD: experimental phasing with a bromine derivative
Acta Crystallogr.,Sect.D, 66, 2010
3GYM
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BU of 3gym by Molmil
Structure of Prostasin in Complex with Aprotinin
Descriptor: Pancreatic trypsin inhibitor, Prostasin
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2009-04-03
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
3H1P
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BU of 3h1p by Molmil
Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site
Descriptor: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE
Authors:Witkowski, W.A, Hardy, J.A.
Deposit date:2009-04-13
Release date:2009-06-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:L2' loop is critical for caspase-7 active site formation.
Protein Sci., 18, 2009
2WWE
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BU of 2wwe by Molmil
Crystal structure of the phox homology domain of human phosphoinositide-3-kinase-C2-gamma
Descriptor: PHOSPHOINOSITIDE-3-KINASE, CLASS 2, GAMMA POLYPEPTIDE
Authors:Roos, A.K, Tresaugues, L, 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, Karlberg, T, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-10-22
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of the Phox Homology Domain of Human Phosphoinositide-3-Kinase-C2-Gamma
To be Published
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
2WQE
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BU of 2wqe by Molmil
Structure of S155R Aurora-A somatic mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Bibby, R, Bayliss, R.
Deposit date:2009-08-20
Release date:2009-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Cancer Associated Aurora-A Mutant is Mislocalised and Misregulated due to Loss of Interaction with Tpx2.
J.Biol.Chem., 284, 2009
3HBV
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BU of 3hbv by Molmil
PrtC methionine mutants: M226A in-house
Descriptor: CALCIUM ION, CHLORIDE ION, Secreted protease C, ...
Authors:Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U.
Deposit date:2009-05-05
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Metzincin's canonical methionine is responsible for the structural integrity of the zinc-binding site
Biol.Chem., 390, 2009
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
3GRP
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BU of 3grp by Molmil
2.1 Angstrom crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from Bartonella henselae
Descriptor: 3-oxoacyl-(Acyl carrierprotein) reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-26
Release date:2009-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:2.1 Angstrom crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from Bartonella henselae
To be Published
3I5N
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BU of 3i5n by Molmil
Crystal structure of c-Met with triazolopyridazine inhibitor 13
Descriptor: 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor
Authors:Bellon, S.F, Whittington, D.A, Long, A.M, Boezio, A.A.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3I5R
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BU of 3i5r by Molmil
PI3K SH3 domain in complex with a peptide ligand
Descriptor: Peptide ligand, Phosphatidylinositol 3-kinase regulatory subunit alpha
Authors:Batra-Safferling, R, Granzin, J, Modder, S, Hoffmann, S, Willbold, D.
Deposit date:2009-07-06
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural studies of the phosphatidylinositol 3-kinase (PI3K) SH3 domain in complex with a peptide ligand: role of the anchor residue in ligand binding.
Biol.Chem., 391, 2010
3I5S
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BU of 3i5s by Molmil
Crystal structure of PI3K SH3
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION
Authors:Batra-Safferling, R, Granzin, J, Modder, S, Hoffmann, S, Willbold, D.
Deposit date:2009-07-06
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural studies of the phosphatidylinositol 3-kinase (PI3K) SH3 domain in complex with a peptide ligand: role of the anchor residue in ligand binding.
Biol.Chem., 391, 2010
3I7P
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BU of 3i7p by Molmil
Crystal Structure of DDB1 in Complex with the H-Box Motif of WDR40A
Descriptor: DNA damage-binding protein 1, WD repeat-containing protein 40A
Authors:Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N.
Deposit date:2009-07-08
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
3IGQ
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BU of 3igq by Molmil
Crystal structure of the extracellular domain of a bacterial pentameric ligand-gated ion channel
Descriptor: ACETIC ACID, CHLORIDE ION, Glr4197 protein, ...
Authors:Nury, H, Delarue, M.
Deposit date:2009-07-28
Release date:2009-12-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the extracellular domain of a bacterial ligand-gated ion channel
J.Mol.Biol., 395, 2010
3GHD
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BU of 3ghd by Molmil
Crystal structure of a cystathionine beta-synthase domain protein fused to a Zn-ribbon-like domain
Descriptor: a cystathionine beta-synthase domain protein fused to a Zn-ribbon-like domain
Authors:Dong, A, Xu, X, Chruszcz, M, Brown, G, Proudfoot, M, Edwards, A.M, Joachimiak, A, Minor, W, Savchenko, A, Yaleunin, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-03-03
Release date:2009-03-31
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of a cystathionine beta-synthase domain protein fused to a Zn-ribbon-like domain
To be Published
3GIS
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BU of 3gis by Molmil
Crystal Structure of Na-free Thrombin in Complex with Thrombomodulin
Descriptor: CALCIUM ION, Prothrombin, SULFATE ION, ...
Authors:Adams, T.E, Huntington, J.A.
Deposit date:2009-03-06
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of thrombomodulin activation of slow thrombin
J.Thromb.Haemost., 7, 2009

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