4EBV
 
 | | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | | Descriptor: | 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1, ISOPROPYL ALCOHOL | | Authors: | Skene, R.J, Hosfield, D.J. | | Deposit date: | 2012-03-25 | | Release date: | 2012-08-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
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4EN5
 | | Crystal structure of fluoride riboswitch, Tl-Acetate soaked | | Descriptor: | FLUORIDE ION, Fluoride riboswitch, MAGNESIUM ION, ... | | Authors: | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.957 Å) | | Cite: | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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4ENA
 | | Crystal structure of fluoride riboswitch, soaked in Cs+ | | Descriptor: | CESIUM ION, FLUORIDE ION, Fluoride riboswitch, ... | | Authors: | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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4ENB
 | | Crystal structure of fluoride riboswitch, bound to Iridium | | Descriptor: | FLUORIDE ION, Fluoride riboswitch, IRIDIUM HEXAMMINE ION, ... | | Authors: | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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4EB0
 | | Crystal structure of Leaf-branch compost bacterial cutinase homolog | | Descriptor: | LCC, THIOCYANATE ION | | Authors: | Sulaiman, S, You, D.J, Eiko, K, Koga, Y, Kanaya, S. | | Deposit date: | 2012-03-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of Leaf-branch compost bacterial cutinase homolog
To be Published
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4ENC
 | | Crystal structure of fluoride riboswitch | | Descriptor: | FLUORIDE ION, Fluoride riboswitch, MAGNESIUM ION, ... | | Authors: | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.272 Å) | | Cite: | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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6PFC
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.689 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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4EZH
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4FG4
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4FQO
 | | Crystal Structure of Calcium-Loaded S100B Bound to SBi4211 | | Descriptor: | 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B | | Authors: | McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J. | | Deposit date: | 2012-06-25 | | Release date: | 2012-10-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
ACS Med Chem Lett, 3, 2012
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1PHK
 | | TWO STRUCTURES OF THE CATALYTIC DOMAIN OF PHOSPHORYLASE, KINASE: AN ACTIVE PROTEIN KINASE COMPLEXED WITH NUCLEOTIDE, SUBSTRATE-ANALOGUE AND PRODUCT | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PHOSPHORYLASE KINASE | | Authors: | Owen, D.J, Noble, M.E.M, Garman, E.F, Papageorgiou, A.C, Johnson, L.N. | | Deposit date: | 1996-03-15 | | Release date: | 1996-08-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Two structures of the catalytic domain of phosphorylase kinase: an active protein kinase complexed with substrate analogue and product.
Structure, 3, 1995
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4G6B
 | | Three dimensional structure analysis of the type II citrate synthase from e.coli | | Descriptor: | Citrate synthase, SULFATE ION | | Authors: | Nguyen, N.T, Maurus, R, Stokell, D.J, Ayed, A, Duckworth, H.W, Brayer, G.D. | | Deposit date: | 2012-07-18 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparative Analysis of Folding and Substrate Binding Sites between Regulated Hexameric Type II Citrate Synthases and Unregulated Dimeric Type I Enzymes.
Biochemistry, 40, 2001
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1PIK
 | | ESPERAMICIN A1-DNA COMPLEX, NMR, 4 STRUCTURES | | Descriptor: | 2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentopyranose-(1-2)-4-amino-4,6-dideoxy-beta-D-glucopyranose, 2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose, 2-deoxy-alpha-L-fucopyranose, ... | | Authors: | Kumar, R.A, Ikemoto, N, Patel, D.J. | | Deposit date: | 1996-12-11 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Esperamicin A1-DNA Complex
J.Mol.Biol., 265, 1997
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4GBA
 | | DCNL complex with N-terminally acetylated NEDD8 E2 peptide | | Descriptor: | DCN1-like protein 3, NEDD8-conjugating enzyme UBE2F | | Authors: | Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A. | | Deposit date: | 2012-07-26 | | Release date: | 2012-11-28 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes.
Structure, 21, 2013
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4FT4
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4GAO
 | | DCNL complex with N-terminally acetylated NEDD8 E2 peptide | | Descriptor: | BROMIDE ION, DCN1-like protein 2, NEDD8-conjugating enzyme Ubc12 | | Authors: | Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A. | | Deposit date: | 2012-07-25 | | Release date: | 2012-11-28 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes.
Structure, 21, 2013
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4G9J
 | | Protein Ser/Thr phosphatase-1 in complex with cell-permeable peptide | | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, synthetic peptide | | Authors: | Sukackaite, R, Chatterjee, J, Beullens, M, Bollen, M, Koehn, M, Hart, D.J. | | Deposit date: | 2012-07-24 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Development of a Peptide that Selectively Activates Protein Phosphatase-1 in Living Cells.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4FT2
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4EZ4
 | | free KDM6B structure | | Descriptor: | Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Cheng, Z.J, Patel, D.J. | | Deposit date: | 2012-05-02 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
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4F9D
 | | Structure of Escherichia coli PgaB 42-655 in complex with nickel | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, CALCIUM ION, ... | | Authors: | Little, D.J, Poloczek, J, Whitney, J.C, Robinson, H, Nitz, M, Howell, P.L. | | Deposit date: | 2012-05-18 | | Release date: | 2012-07-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structure and Metal Dependent Activity of Escherichia coli PgaB Provides Insight into the Partial De-N-acetylation of Poly-b-1,6-N-acetyl-D-glucosamine
J.Biol.Chem., 287, 2012
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4F9J
 | | Structure of Escherichia coli PgaB 42-655 in complex with iron | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, CALCIUM ION, ... | | Authors: | Little, D.J, Poloczek, J, Whitney, J.C, Robinson, H, Nitz, M, Howell, P.L. | | Deposit date: | 2012-05-18 | | Release date: | 2012-07-25 | | Last modified: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | The Structure and Metal Dependent Activity of Escherichia coli PgaB Provides Insight into the Partial De-N-acetylation of Poly-b-1,6-N-acetyl-D-glucosamine
J.Biol.Chem., 287, 2012
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4EYU
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4FAJ
 | | Structure and mode of peptide binding of pheromone receptor PrgZ | | Descriptor: | GLYCEROL, PrgZ, Sex pheromone cCF10, ... | | Authors: | Berntsson, R.P.-A, Schuurman-Wolters, G.K, Dunny, K, Slotboom, D.J, Poolman, B. | | Deposit date: | 2012-05-22 | | Release date: | 2012-09-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Mode of Peptide Binding of Pheromone Receptor PrgZ.
J.Biol.Chem., 287, 2012
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1NOC
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) COMPLEXED WITH TYPE I E. COLI CHLORAMPHENICOL ACETYL TRANSFERASE AND IMIDAZOLE | | Descriptor: | IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1997-09-28 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
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1NOS
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), IMIDAZOLE COMPLEX | | Descriptor: | IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1997-09-28 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
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