4HR0
 
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4HUC
 | | Crystal structure of LdtMt2, a L,D-transpeptidase from Mycobacterium tuberculosis: domain B and C | | Descriptor: | ACETATE ION, PROBABLE CONSERVED LIPOPROTEIN LPPS, SODIUM ION | | Authors: | Both, D, Steiner, E, Lindqvist, Y, Schnell, R, Schneider, G. | | Deposit date: | 2012-11-02 | | Release date: | 2012-12-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure of LdtMt2, an L,D-transpeptidase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013
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4I12
 | | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | | Descriptor: | 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one, Beta-secretase 1, SODIUM ION, ... | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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3D6A
 | | Crystal structure of the 2H-phosphatase domain of Sts-2 in complex with tungstate. | | Descriptor: | MAGNESIUM ION, SODIUM ION, Sts-2 protein, ... | | Authors: | Chen, Y, Carpino, N, Nassar, N. | | Deposit date: | 2008-05-19 | | Release date: | 2009-03-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and functional characterization of the 2H-phosphatase domain of Sts-2 reveals an acid-dependent phosphatase activity.
Biochemistry, 48, 2009
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4I9Q
 | | Crystal structure of the ternary complex of the D714A mutant of RB69 DNA polymerase | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3'), ... | | Authors: | Guja, K.E, Jacewicz, A, Trzemecka, A, Plochocka, D, Yakubovskaya, E, Bebenek, A, Garcia-Diaz, M. | | Deposit date: | 2012-12-05 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Remote Palm Domain Residue of RB69 DNA Polymerase Is Critical for Enzyme Activity and Influences the Conformation of the Active Site.
Plos One, 8, 2013
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4I32
 | | Crystal structure of HCV NS3/4A D168V protease complexed with compound 4 | | Descriptor: | (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ... | | Authors: | Lemke, C.T. | | Deposit date: | 2012-11-23 | | Release date: | 2013-01-02 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.3001 Å) | | Cite: | Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
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1O05
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4HSD
 | | Crystal structure of a new form of plant lectin from Cicer arietinum at 2.45 Angstrom resolution | | Descriptor: | Lectin, SODIUM ION | | Authors: | Kumar, S, Singh, A, Bhushan, A, Dey, S, Sharma, S, Singh, T.P. | | Deposit date: | 2012-10-30 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of a new form of plant lectin from Cicer arietinum at 2.45 Angstrom resolution
to be published
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4I8P
 | | Crystal structure of aminoaldehyde dehydrogenase 1a from Zea mays (ZmAMADH1a) | | Descriptor: | 1,2-ETHANEDIOL, Aminoaldehyde dehydrogenase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | | Deposit date: | 2012-12-04 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Plant ALDH10 family: identifying critical residues for substrate specificity and trapping a thiohemiacetal intermediate.
J.Biol.Chem., 288, 2013
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4IED
 | | Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Class D beta-lactamase, ... | | Authors: | Mangani, S, Benvenuti, M, Docquier, J.D. | | Deposit date: | 2012-12-13 | | Release date: | 2014-01-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum
To be Published
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2YGH
 | | SAM-I riboswitch with a G2nA mutation in the Kink turn in complex with S-adenosylmethionine | | Descriptor: | POTASSIUM ION, S-ADENOSYLMETHIONINE, SAM-I RIBOSWITCH, ... | | Authors: | Schroeder, K, Daldrop, P, Lilley, D. | | Deposit date: | 2011-04-17 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | RNA Tertiary Interactions in a Riboswitch Stabilize the Structure of a Kink Turn.
Structure, 19, 2011
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2YNQ
 | | Crystal Structure of Geobacillus thermodenitrificans EssB extracellular fragment | | Descriptor: | CHLORIDE ION, ESSB, GLYCEROL, ... | | Authors: | Zoltner, M, Fyfe, P.K, Hunter, W.N. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Architecture of Essb, an Integral Membrane Component of the Type Vii Secretion System.
Structure, 21, 2013
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3CQX
 | | Chaperone Complex | | Descriptor: | BAG family molecular chaperone regulator 2, Heat shock cognate 71 kDa protein, SODIUM ION, ... | | Authors: | Xu, Z, Nix, J.C, Misra, S. | | Deposit date: | 2008-04-03 | | Release date: | 2008-11-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of nucleotide exchange and client binding by the Hsp70 cochaperone Bag2
Nat.Struct.Mol.Biol., 15, 2008
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4GLY
 | | Human urokinase-type plasminogen activator uPA in complex with the two-disulfide bridge peptide UK504 | | Descriptor: | BICYCLIC PEPTIDE INHIBITOR UK504, CHLORIDE ION, GLYCEROL, ... | | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | | Deposit date: | 2012-08-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.518 Å) | | Cite: | Bicyclic Peptide Ligands Pulled out of Cysteine-Rich Peptide Libraries.
J.Am.Chem.Soc., 135, 2013
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4FO6
 | | Crystal structure of the pre-catalytic ternary complex of polymerase lambda with a dATP analog opposite a templating T and an rCMP at the primer terminus. | | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, 5'-D(*CP*AP*GP*TP*AP)-R(P*C)-3', 5'-D(*CP*GP*GP*CP*TP*GP*TP*AP*CP*TP*G)-3', ... | | Authors: | Gosavi, R.A, Moon, A.F, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | | Deposit date: | 2012-06-20 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.007 Å) | | Cite: | The catalytic cycle for ribonucleotide incorporation by human DNA Pol lambda
Nucleic Acids Res., 40, 2012
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3DYQ
 | | human phosphodiestrase 9 (inhibited by omitting divalent cation) in complex with cGMP | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | | Deposit date: | 2008-07-28 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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4FJ4
 | | Crystal structure of the protein Q9HRE7 complexed with mercury from Halobacterium salinarium at the resolution 2.1A, Northeast Structural Genomics Consortium target HsR50 | | Descriptor: | ETHYL MERCURY ION, SODIUM ION, Uncharacterized protein | | Authors: | Kuzin, A, Chen, Y, Vorobiev, S.M, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Maglaqui, M, Owens, L.A, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-06-11 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Northeast Structural Genomics Consortium Target HsR50
To be Published
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4GVD
 | | Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in complex with Syndecan1 Peptide | | Descriptor: | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), CHLORIDE ION, SODIUM ION, ... | | Authors: | Liu, X, Shepherd, T.R, Murray, A.M, Xu, Z, Fuentes, E.J. | | Deposit date: | 2012-08-30 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The structure of the Tiam1 PDZ domain/ phospho-syndecan1 complex reveals a ligand conformation that modulates protein dynamics.
Structure, 21, 2013
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4GYT
 | | Crystal structure of lpg0076 protein from Legionella pneumophila | | Descriptor: | SODIUM ION, uncharacterized protein | | Authors: | Michalska, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-09-05 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Crystal structure of lpg0076 protein from Legionella pneumophila
To be Published
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4GXJ
 | | R283K DNA polymerase beta ternary complex with a templating 8OG and incoming dCTP analog | | Descriptor: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... | | Authors: | Freudenthal, B.D, Beard, W.A, Wilson, S.H. | | Deposit date: | 2012-09-04 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | DNA polymerase minor groove interactions modulate mutagenic bypass of a templating 8-oxoguanine lesion.
Nucleic Acids Res., 41, 2013
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4HDP
 | | Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519 | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ... | | Authors: | Shen, C.H, Zhang, H, Weber, I.T. | | Deposit date: | 2012-10-02 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
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3DIQ
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4H4K
 | | Structure of the Cmr2-Cmr3 subcomplex of the Cmr RNA-silencing complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR system Cmr subunit Cmr2, CRISPR system Cmr subunit Cmr3, ... | | Authors: | Shao, Y, Cocozaki, A.I, Ramia, N.F, Terns, R.M, Terns, M.P, Li, H. | | Deposit date: | 2012-09-17 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Structure of the cmr2-cmr3 subcomplex of the cmr RNA silencing complex.
Structure, 21, 2013
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2VDX
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4HC6
 | | Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution | | Descriptor: | BROMIDE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kim, H.-B, Han, G.-W, Hung, L.-W, Terwilliger, C.T, Kim, C.-Y, Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2012-09-28 | | Release date: | 2012-11-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution
To be Published
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