3DUY
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![BU of 3duy by Molmil](/molmil-images/mine/3duy) | Crystal structure of human beta-secretase in complex with NVP-AFJ144 | Descriptor: | (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide, 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 (1.97 Å) | Cite: | Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3DVS
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3DWD
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![BU of 3dwd by Molmil](/molmil-images/mine/3dwd) | 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
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3DV1
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![BU of 3dv1 by Molmil](/molmil-images/mine/3dv1) | 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
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3LLK
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![BU of 3llk by Molmil](/molmil-images/mine/3llk) | 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
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3DYB
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![BU of 3dyb by Molmil](/molmil-images/mine/3dyb) | 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
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3KGA
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![BU of 3kga by Molmil](/molmil-images/mine/3kga) | 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
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3DM0
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![BU of 3dm0 by Molmil](/molmil-images/mine/3dm0) | 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
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3GT4
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![BU of 3gt4 by Molmil](/molmil-images/mine/3gt4) | 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
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3GYM
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![BU of 3gym by Molmil](/molmil-images/mine/3gym) | 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
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3H1P
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2WWE
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![BU of 2wwe by Molmil](/molmil-images/mine/2wwe) | 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
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3KDF
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![BU of 3kdf by Molmil](/molmil-images/mine/3kdf) | 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
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3KGT
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2WQE
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![BU of 2wqe by Molmil](/molmil-images/mine/2wqe) | 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
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3HBV
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![BU of 3hbv by Molmil](/molmil-images/mine/3hbv) | 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
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3KGS
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![BU of 3kgs by Molmil](/molmil-images/mine/3kgs) | 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
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3GRP
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3I5N
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![BU of 3i5n by Molmil](/molmil-images/mine/3i5n) | 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
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3I5R
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![BU of 3i5r by Molmil](/molmil-images/mine/3i5r) | 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
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3I5S
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![BU of 3i5s by Molmil](/molmil-images/mine/3i5s) | 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
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3I7P
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![BU of 3i7p by Molmil](/molmil-images/mine/3i7p) | 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
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3IGQ
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3GHD
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![BU of 3ghd by Molmil](/molmil-images/mine/3ghd) | 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
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3GIS
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![BU of 3gis by Molmil](/molmil-images/mine/3gis) | |