4D8H
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![BU of 4d8h by Molmil](/molmil-images/mine/4d8h) | Crystal structure of Symfoil-4P/PV2: de novo designed beta-trefoil architecture with symmetric primary structure, primitive version 2 (6xLeu / PV1) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo protein | Authors: | Blaber, M, Longo, L. | Deposit date: | 2012-01-10 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Simplified protein design biased for prebiotic amino acids yields a foldable, halophilic protein. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HUW
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![BU of 4huw by Molmil](/molmil-images/mine/4huw) | Crystal Structure of H2Db-NPM6T | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Gras, S, Twist, K.A, Rossjohn, J. | Deposit date: | 2012-11-04 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Preemptive priming readily overcomes structure-based mechanisms of virus escape. Proc.Natl.Acad.Sci.USA, 110, 2013
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3FG6
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![BU of 3fg6 by Molmil](/molmil-images/mine/3fg6) | Structure of the C-terminus of Adseverin | Descriptor: | Adseverin, CALCIUM ION | Authors: | Robinson, R.C. | Deposit date: | 2008-12-05 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of the C-terminus of adseverin reveals the actin-binding interface. Proc.Natl.Acad.Sci.USA, 106, 2009
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3SOE
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![BU of 3soe by Molmil](/molmil-images/mine/3soe) | Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3) | Descriptor: | 1,2-ETHANEDIOL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 | Authors: | Ivarsson, Y, Filippakopoulos, P, Picaud, S, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Zimmermann, P, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-30 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3) To be Published
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4HW6
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3RUM
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![BU of 3rum by Molmil](/molmil-images/mine/3rum) | New strategy to analyze structures of glycopeptide antibiotic-target complexes | Descriptor: | 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose, ISOPROPYL ALCOHOL, Maltose-binding periplasmic protein, ... | Authors: | Economou, N.J, Weeks, S.D, Grasty, K.C, Nahoum, V, Loll, P.J. | Deposit date: | 2011-05-05 | Release date: | 2012-06-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | A carrier protein strategy yields the structure of dalbavancin. J.Am.Chem.Soc., 134, 2012
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2NLK
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![BU of 2nlk by Molmil](/molmil-images/mine/2nlk) | Crystal structure of D1 and D2 catalytic domains of human Protein Tyrosine Phosphatase Gamma (D1+D2 PTPRG) | Descriptor: | Protein tyrosine phosphatase, receptor type, G variant (Fragment) | Authors: | Filippakopoulos, P, Gileadi, O, Johansson, C, Ugochukwu, E, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-10-20 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome. Cell(Cambridge,Mass.), 136, 2009
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3RWA
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3FM8
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![BU of 3fm8 by Molmil](/molmil-images/mine/3fm8) | Crystal structure of full length centaurin alpha-1 bound with the FHA domain of KIF13B (CAPRI target) | Descriptor: | Centaurin-alpha-1, Kinesin-like protein KIF13B, SULFATE ION, ... | Authors: | Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-19 | Release date: | 2009-08-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin alpha1. Proc.Natl.Acad.Sci.USA, 107, 2010
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4I1V
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4HHZ
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![BU of 4hhz by Molmil](/molmil-images/mine/4hhz) | Crystal structure of PARP catalytic domain in complex with novel inhibitors | Descriptor: | N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-10-10 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7199 Å) | Cite: | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors. J.Med.Chem., 56, 2013
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3FCF
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![BU of 3fcf by Molmil](/molmil-images/mine/3fcf) | Complex of UNG2 and a fragment-based designed inhibitor | Descriptor: | 3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | Deposit date: | 2008-11-21 | Release date: | 2009-04-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor Nat.Chem.Biol., 5, 2009
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4D9T
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![BU of 4d9t by Molmil](/molmil-images/mine/4d9t) | Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | Descriptor: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate | Authors: | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | Deposit date: | 2012-01-12 | Release date: | 2012-04-25 | Last modified: | 2012-05-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles. Nat.Chem.Biol., 8, 2012
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3S1B
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4HI8
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![BU of 4hi8 by Molmil](/molmil-images/mine/4hi8) | Structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain collected at high energy, wavelength 0.32800 | Descriptor: | Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 1, PHOSPHATE ION, ... | Authors: | Stiegler, A.L, Jakoncic, J, Stojanoff, V, Chiswell, B.P, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2012-10-11 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.203 Å) | Cite: | Structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain collected at high energy, wavelength 0.32800 To be Published
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4D9R
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3EYC
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![BU of 3eyc by Molmil](/molmil-images/mine/3eyc) | New crystal structure of human tear lipocalin in complex with 1,4-butanediol in space group P21 | Descriptor: | 1,4-BUTANEDIOL, Lipocalin-1 | Authors: | Breustedt, D.A, Keil, L, Skerra, A. | Deposit date: | 2008-10-20 | Release date: | 2009-10-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A new crystal form of human tear lipocalin reveals high flexibility in the loop region and induced fit in the ligand cavity Acta Crystallogr.,Sect.D, 65, 2009
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3RUL
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![BU of 3rul by Molmil](/molmil-images/mine/3rul) | New strategy to analyze structures of glycopeptide-target complexes | Descriptor: | 10-METHYLUNDECANOIC ACID, 2-amino-2-deoxy-beta-D-glucopyranuronic acid, CHLORIDE ION, ... | Authors: | Economou, N.J, Nahoum, V, Weeks, S.D, Grasty, K.C, Loll, P.J. | Deposit date: | 2011-05-05 | Release date: | 2012-06-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A carrier protein strategy yields the structure of dalbavancin. J.Am.Chem.Soc., 134, 2012
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3RUP
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3RW6
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![BU of 3rw6 by Molmil](/molmil-images/mine/3rw6) | Structure of nuclear RNA export factor TAP bound to CTE RNA | Descriptor: | Nuclear RNA export factor 1, constitutive transport element(CTE)of Mason-Pfizer monkey virus RNA | Authors: | Teplova, M, Khin, N.W, Patel, D.J, Izaurralde, E. | Deposit date: | 2011-05-07 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-function studies of nucleocytoplasmic transport of retroviral genomic RNA by mRNA export factor TAP. Nat.Struct.Mol.Biol., 18, 2011
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4HOF
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![BU of 4hof by Molmil](/molmil-images/mine/4hof) | Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111H) | Descriptor: | 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Paulsen, J.L, Anderson, A.C. | Deposit date: | 2012-10-22 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Propargyl-Linked Antifolates are Dual Inhibitors of Candida albicans and Candida glabrata. J.Med.Chem., 57, 2014
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3FPC
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![BU of 3fpc by Molmil](/molmil-images/mine/3fpc) | Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-294 of T. brockii ADH by E. histolytica ADH | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, IMIDAZOLE, ... | Authors: | Felix, F, Goihberg, E, Shimon, L, Burstein, Y. | Deposit date: | 2009-01-05 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms Biochemistry, 49, 2010
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4D88
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![BU of 4d88 by Molmil](/molmil-images/mine/4d88) | Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490 | Descriptor: | (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | Authors: | Rondeau, J.M, Bourgier, E. | Deposit date: | 2012-01-10 | Release date: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
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4D85
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![BU of 4d85 by Molmil](/molmil-images/mine/4d85) | Crystal Structure of Human Beta Secretase in Complex with NVP-BVI151 | Descriptor: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, IODIDE ION | Authors: | Rondeau, J.M, Bourgier, E. | Deposit date: | 2012-01-10 | Release date: | 2012-11-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
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3FOA
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![BU of 3foa by Molmil](/molmil-images/mine/3foa) | Crystal structure of the bacteriophage T4 tail sheath protein, deletion mutant gp18M | Descriptor: | Tail sheath protein Gp18 | Authors: | Aksyuk, A.A, Leiman, P.G, Kurochkina, L.P, Shneider, M.M, Kostyuchenko, V.A, Mesyanzhinov, V.V, Rossmann, M.G. | Deposit date: | 2008-12-29 | Release date: | 2009-03-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The tail sheath structure of bacteriophage T4: a molecular machine for infecting bacteria. Embo J., 28, 2009
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