4GU9
 
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4H3G
 | | Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile | | Descriptor: | 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Mandal, M. | | Deposit date: | 2012-09-13 | | Release date: | 2012-11-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
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4HA5
 | | Structure of BACE Bound to (S)-3-(5-(2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl)thiophen-3-yl)benzonitrile | | Descriptor: | 3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Mandal, M. | | Deposit date: | 2012-09-25 | | Release date: | 2012-10-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
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4H5S
 | | Complex structure of Necl-2 and CRTAM | | Descriptor: | Cell adhesion molecule 1, Cytotoxic and regulatory T-cell molecule | | Authors: | Zhang, S, Lu, G, Qi, J, Li, Y, Zhang, Z, Zhang, B, Yan, J, Gao, G.F. | | Deposit date: | 2012-09-18 | | Release date: | 2013-08-07 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Competition of cell adhesion and immune recognition: insights into the interaction between CRTAM and nectin-like 2.
Structure, 21, 2013
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3VJL
 | | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | | Deposit date: | 2011-10-24 | | Release date: | 2012-10-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
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3VKG
 | | X-ray structure of an MTBD truncation mutant of dynein motor domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dynein heavy chain, cytoplasmic, ... | | Authors: | Kon, T, Oyama, T, Shimo-Kon, R, Suto, K, Kurisu, G. | | Deposit date: | 2011-11-16 | | Release date: | 2012-03-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The 2.8 A crystal structure of the dynein motor domain
Nature, 484, 2012
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3VNZ
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with D-glucuronic acid | | Descriptor: | GLYCEROL, PHOSPHATE ION, beta-D-glucopyranuronic acid, ... | | Authors: | Momma, M, Fujimoto, Z, Michikawa, M, Ichinose, H, Yoshida, M, Kotake, Y, Biely, P, Tsumuraya, Y, Kaneko, S. | | Deposit date: | 2012-01-18 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and biochemical characterization of glycoside hydrolase family 79 beta-glucuronidase from Acidobacterium capsulatum
J.Biol.Chem., 287, 2012
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3VRS
 | | Crystal structure of fluoride riboswitch, soaked in Mn2+ | | Descriptor: | FLUORIDE ION, Fluoride riboswitch, MANGANESE (II) ION, ... | | Authors: | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2012-04-13 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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4ENP
 | | Structure of E530A variant E. coli KatE | | Descriptor: | Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Loewen, P.C, Jha, V. | | Deposit date: | 2012-04-13 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Influence of main channel structure on H(2)O(2) access to the heme cavity of catalase KatE of Escherichia coli.
Arch.Biochem.Biophys., 526, 2012
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4GU6
 | | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-{3-[(5-Cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)- methyl]-pyridin-2-yl}-N-methyl-methanesulfonamide | | Descriptor: | Focal adhesion kinase 1, N-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamide | | Authors: | Musil, D, Heinrich, T. | | Deposit date: | 2012-08-29 | | Release date: | 2013-09-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors.
J.Med.Chem., 56, 2013
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3US9
 | | Crystal Structure of the NCX1 Intracellular Tandem Calcium Binding Domains(CBD12) | | Descriptor: | CALCIUM ION, Sodium/calcium exchanger 1 | | Authors: | Giladi, M, Sasson, Y, Hirsch, J.A, Khananshvili, D. | | Deposit date: | 2011-11-23 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A common Ca2+-driven interdomain module governs eukaryotic NCX regulation.
Plos One, 7, 2012
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3V6B
 | | VEGFR-2/VEGF-E complex structure | | Descriptor: | VEGF-E, Vascular endothelial growth factor receptor 2 | | Authors: | Brozzo, M.S, Leppanen, V.-M, Winkler, F.K, Kisko, K, Ballmer-Hofer, K. | | Deposit date: | 2011-12-19 | | Release date: | 2012-01-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.205 Å) | | Cite: | Thermodynamic and structural description of allosterically regulated VEGFR-2 dimerization.
Blood, 119, 2012
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3VHP
 | | The insertion mutant Y61GG of Tm Cel12A | | Descriptor: | Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Cheng, Y.-S, Ko, T.-P, Guo, R.-T, Liu, J.-R. | | Deposit date: | 2011-08-30 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop
Appl.Microbiol.Biotechnol., 95, 2012
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4FYQ
 | | Human aminopeptidase N (CD13) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | | Authors: | Wong, A.H, Rini, J.M. | | Deposit date: | 2012-07-05 | | Release date: | 2012-09-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The X-ray Crystal Structure of Human Aminopeptidase N Reveals a Novel Dimer and the Basis for Peptide Processing.
J.Biol.Chem., 287, 2012
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3VBZ
 | | Crystal structure of Taipoxin beta subunit isoform 2 | | Descriptor: | Phospholipase A2 homolog, taipoxin beta chain | | Authors: | Cendron, L, Micetic, I, Polverino, P, Beltramini, M, Paoli, M. | | Deposit date: | 2012-01-03 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural analysis of trimeric phospholipase A(2) neurotoxin from the Australian taipan snake venom.
Febs J., 279, 2012
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3VCA
 | | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman and UV-visible Spectroscopic Analysis of a Rieske-type Demethylase | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | | Authors: | Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N. | | Deposit date: | 2012-01-03 | | Release date: | 2012-02-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
J.Am.Chem.Soc., 134, 2012
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3VHO
 | | Y61-gg insertion mutant of Tm-Cellulase 12A | | Descriptor: | Endo-1,4-beta-glucanase | | Authors: | Cheng, Y.-S, Ko, T.-P, Guo, R.-T, Liu, J.-R. | | Deposit date: | 2011-08-30 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop
Appl.Microbiol.Biotechnol., 95, 2012
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4G22
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3THX
 | | Human MutSbeta complexed with an IDL of 3 bases (Loop3) and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA Loop3 minus strand, DNA Loop3 plus strand, ... | | Authors: | Yang, W. | | Deposit date: | 2011-08-19 | | Release date: | 2011-12-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanism of mismatch recognition revealed by human MutSbeta bound to unpaired DNA loops
Nat.Struct.Mol.Biol., 19, 2012
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3TH5
 | | Crystal structure of wild-type RAC1 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | | Authors: | Ha, B.H, Boggon, T.J. | | Deposit date: | 2011-08-18 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
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4GZL
 | | Crystal structure of RAC1 Q61L mutant | | Descriptor: | ISOPROPYL ALCOHOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Ha, B.H, Boggon, T.J. | | Deposit date: | 2012-09-06 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | RAC1P29S is a spontaneously activating cancer-associated GTPase.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3TO5
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4H5I
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3TSD
 | | Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str. Ames complexed with XMP | | Descriptor: | D(-)-TARTARIC ACID, Inosine-5'-monophosphate dehydrogenase, SULFATE ION, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-09-13 | | Release date: | 2011-10-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.653 Å) | | Cite: | Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes.
Biochemistry, 51, 2012
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4HAG
 | | Crystal structure of fc-fragment of human IgG2 antibody (centered crystal form) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region | | Authors: | Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G. | | Deposit date: | 2012-09-26 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
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