4JKF
 
 | | Open and closed forms of T1791P+R1865A human PRP8 RNase H-like domain with bound Mg ion | | Descriptor: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | | Deposit date: | 2013-03-09 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation.
Nat.Struct.Mol.Biol., 20, 2013
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4NXJ
 | | Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum | | Descriptor: | Bromodomain protein | | Authors: | Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-12-09 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
TO BE PUBLISHED
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4JKX
 | | Crystal structure Mistletoe Lectin I from Viscum album in complex with kinetin at 2.35 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Meyer, A, Barciszewski, J, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2013-03-12 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure Mistletoe Lectin I from Viscum album in complex with kinetin at 2.35 A resolution.
To be Published
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3G96
 | | Crystal structure of the Bacillus anthracis glmS ribozyme bound to MaN6P | | Descriptor: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, GLMS RIBOZYME, MAGNESIUM ION, ... | | Authors: | Strobel, S.A, Cochrane, J.C, Lipchock, S.V, Smith, K.D. | | Deposit date: | 2009-02-12 | | Release date: | 2009-11-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structural and chemical basis for glucosamine 6-phosphate binding and activation of the glmS ribozyme
Biochemistry, 48, 2009
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4N7H
 | | Crystal Structure of the Complex of 3rd WW domain of Human Nedd4 and 1st PPXY Motif of ARRDC3 | | Descriptor: | Arrestin domain-containing protein 3, E3 ubiquitin-protein ligase NEDD4, GUANIDINE | | Authors: | Qi, S, O'Hayre, M, Gutkind, J.S, Hurley, J. | | Deposit date: | 2013-10-15 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Structural and biochemical basis for ubiquitin ligase recruitment by arrestin-related domain-containing protein-3 (ARRDC3).
J.Biol.Chem., 289, 2014
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3O79
 | | Crystal Structure of Wild-type Rabbit PrP 126-230 | | Descriptor: | CHLORIDE ION, GLYCEROL, Rabbit PrP, ... | | Authors: | Sweeting, B, Chakrabartty, A, Pai, E.F. | | Deposit date: | 2010-07-30 | | Release date: | 2010-11-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Prion disease susceptibility is affected by beta-structure folding propensity and local side-chain interactions in PrP.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4N8H
 | | E61V mutant, RipA structure | | Descriptor: | 4-hydroxybutyrate coenzyme A transferase | | Authors: | Torres, R, Goulding, C.W. | | Deposit date: | 2013-10-17 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
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4JLG
 | | SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine | | Descriptor: | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ... | | Authors: | Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-03-12 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4N97
 | | E. coli sliding clamp in complex with 5-nitroindole | | Descriptor: | 5-nitro-1H-indole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-10-19 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
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4GWI
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3O9A
 | | Crystal Structure of wild-type HIV-1 Protease in complex with kd14 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, PHOSPHATE ION, Pol polyprotein | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2010-08-04 | | Release date: | 2011-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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3O6E
 | | Crystal Structure of human Hiwi1 PAZ domain (residues 277-399) in complex with 14-mer RNA (12-bp + 2-nt overhang) containing 2'-OCH3 at its 3'-end | | Descriptor: | Piwi-like protein 1, RNA (5'-R(*GP*CP*GP*AP*AP*UP*AP*UP*UP*CP*GP*CP*UP*(OMU))-3') | | Authors: | Tian, Y, Simanshu, D.K, Ma, J.-B, Patel, D.J. | | Deposit date: | 2010-07-28 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.904 Å) | | Cite: | Inaugural Article: Structural basis for piRNA 2'-O-methylated 3'-end recognition by Piwi PAZ (Piwi/Argonaute/Zwille) domains.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4NAU
 | | S. aureus CoaD with Inhibitor | | Descriptor: | 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | | Authors: | Lahiri, S.D. | | Deposit date: | 2013-10-22 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
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3O9E
 | | Crystal Structure of wild-type HIV-1 Protease in complex with af60 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2010-08-04 | | Release date: | 2011-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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3GF4
 | | Structure of UDP-galactopyranose mutase bound to UDP-glucose | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ... | | Authors: | Gruber, T.D, Borrok, M.J, Kiessling, L.L, Forest, K.T. | | Deposit date: | 2009-02-26 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Ligand binding and substrate discrimination by UDP-galactopyranose mutase.
J.Mol.Biol., 391, 2009
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3OB7
 | | Human Thymidylate Synthase R163K with Cys 195 covalently modified by Glutathione | | Descriptor: | GLUTATHIONE, PHOSPHATE ION, Thymidylate synthase | | Authors: | Gibson, L.M, Celeste, L.R, Lovelace, L.L, Lebioda, L. | | Deposit date: | 2010-08-06 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding.
Acta Crystallogr.,Sect.D, 67, 2011
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4H15
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3GG5
 | | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | | Descriptor: | PHOSPHATE ION, SULFATE ION, Thymidylate synthase | | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L. | | Deposit date: | 2009-02-27 | | Release date: | 2010-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
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4MT0
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3GGY
 | | Crystal Structure of S.cerevisiae Ist1 N-terminal domain | | Descriptor: | Increased sodium tolerance protein 1 | | Authors: | Xiao, J, Xu, Z. | | Deposit date: | 2009-03-02 | | Release date: | 2009-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of Ist1 function and Ist1-Did2 interaction in the multivesicular body pathway and cytokinesis.
MOLECULAR BIOLOGY OF THE CELL, 20, 2009
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3OCV
 | | Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N complexed with 5'-AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION | | Authors: | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | | Deposit date: | 2010-08-10 | | Release date: | 2010-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
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3GHZ
 | | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Salmonella typhimurium | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Osipiuk, J, Gu, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | X-ray crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Salmonella typhimurium.
To be Published
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4H3J
 | | Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile | | Descriptor: | 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Mandal, M. | | Deposit date: | 2012-09-13 | | Release date: | 2012-10-17 | | Last modified: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (1.6 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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4N6E
 | | Crystal structure of Amycolatopsis orientalis BexX/CysO complex | | Descriptor: | Putative thiosugar synthase, SULFATE ION, ThiS/MoaD family protein | | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | | Deposit date: | 2013-10-11 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
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3OD8
 | | Human PARP-1 zinc finger 1 (Zn1) bound to DNA | | Descriptor: | 5'-D(*CP*CP*CP*AP*AP*GP*CP*GP*GP*C)-3', 5'-D(*GP*CP*CP*GP*CP*TP*TP*GP*GP*G)-3', Poly [ADP-ribose] polymerase 1, ... | | Authors: | Pascal, J.M, Langelier, M.-F. | | Deposit date: | 2010-08-11 | | Release date: | 2011-01-12 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Poly(ADP-ribose) Polymerase-1 (PARP-1) Zinc Fingers Bound to DNA: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO DNA-DEPENDENT PARP-1 ACTIVITY.
J.Biol.Chem., 286, 2011
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