5K7E
 
 | | The structure of pistol ribozyme, soaked with Mn2+ | | Descriptor: | DNA/RNA 11-MER, MANGANESE (II) ION, RNA 47-MER | | Authors: | Ren, A, Patel, D. | | Deposit date: | 2016-05-26 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.27 Å) | | Cite: | Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage.
Nat.Chem.Biol., 12, 2016
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5I07
 | | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 1,2-ETHANEDIOL, 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ... | | Authors: | Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. | | Deposit date: | 2016-02-03 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
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5JED
 | | Apo-structure of humanised RadA-mutant humRadA28 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2016-04-18 | | Release date: | 2016-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.332 Å) | | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
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5IX9
 | | Cell surface anchoring domain | | Descriptor: | Antifreeze protein | | Authors: | Guo, S, Langelaan, D. | | Deposit date: | 2016-03-23 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
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5JSW
 | | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((3a'R,6'R,6a'R)-2,2,2',2'-tetramethyldihydro-3a'H-spiro[[1,3]dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl)methyl)amino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one | | Descriptor: | 1,2-ETHANEDIOL, 6-amino-2-({[(3a'R,4S,6'R,6a'R)-2,2,2',2'-tetramethyldihydro-3a'H-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (non-preferred name), CHLORIDE ION, ... | | Authors: | Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. | | Deposit date: | 2016-05-09 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Application of carbohydrates based lin-benzoguanines in a solvent-exposed subpocket of the tRNA-modifying Enzyme TGT
To be Published
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5JX4
 | | Crystal structure of E36-G37del mutant of the Bacillus caldolyticus cold shock protein. | | Descriptor: | Cold shock protein CspB, SULFATE ION | | Authors: | Carvajal, A, Castro-Fernandez, V, Cabrejos, D, Fuentealba, M, Pereira, H.M, Vallejos, G, Cabrera, R, Garratt, R.C, Komives, E.A, Ramirez-Sarmiento, C.A, Babul, J. | | Deposit date: | 2016-05-12 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unusual dimerization of a BcCsp mutant leads to reduced conformational dynamics.
FEBS J., 284, 2017
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5K5T
 | | Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ... | | Authors: | Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
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4JGJ
 | | Crystal structure of the Ig-like D1 domain from mouse Carcinoembryogenic antigen-related cell adhesion molecule 15 (CEACAM15) [PSI-NYSGRC-005691] | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 15, Unknown peptide | | Authors: | Kumar, P.R, Bonanno, J, Ahmed, M, Banu, R, Bhosle, R, Calarese, D, Celikigil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2013-03-01 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6508 Å) | | Cite: | Crystal structure of the Ig-like D1 domain of CEACAM15 from Mus musculus [NYSGRC-005691]
to be published
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5KDR
 | | The crystal structure of carboxyltransferase from Staphylococcus Aureus bound to the antimicrobial agent moiramide B. | | Descriptor: | 1,2-ETHANEDIOL, Acetyl-coenzyme A carboxylase carboxyl transferase subunit alpha, Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta, ... | | Authors: | Silvers, M.A, Pakhomova, S, Neau, D, Silvers, W.C, Anzalone, N, Taylor, C.M, Waldrop, G.L. | | Deposit date: | 2016-06-08 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Carboxyltransferase from Staphylococcus aureus Bound to the Antibacterial Agent Moiramide B.
Biochemistry, 55, 2016
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5K6J
 | | Human Phospodiesterase 4B in complex with pyridyloxy-benzoxaborole based inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | Rock, F.L, Zhou, Y, Sullivan, D. | | Deposit date: | 2016-05-24 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | To be published
To Be Published
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4IJF
 | | Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain K222A/R225A/K248A/K251A mutant | | Descriptor: | Polymerase cofactor VP35 | | Authors: | Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K. | | Deposit date: | 2012-12-21 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Development of RNA Aptamers Targeting Ebola Virus VP35.
Biochemistry, 52, 2013
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4JJH
 | | Crystal structure of the D1 domain from human Nectin-4 extracellular fragment [PSI-NYSGRC-005624] | | Descriptor: | 1,2-ETHANEDIOL, Poliovirus receptor-related protein 4 | | Authors: | Kumar, P.R, Bonanno, J, Ahmed, M, Banu, R, Bhosle, R, Calarese, D, Celikigil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2013-03-07 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of the D1 domain of human Nectin-4 extracellular fragment [NYSGRC-005624]
to be published
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5CSH
 | | Crystal Structure of CK2alpha with Compound 4 bound | | Descriptor: | 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5DCM
 | | Structure of a lantibiotic response regulator: C-terminal domain of the nisin resistance regulator NsrR | | Descriptor: | PhoB family transcriptional regulator | | Authors: | Khosa, S, Kleinschrodt, D, Hoeppner, A, Smits, S.H.J. | | Deposit date: | 2015-08-24 | | Release date: | 2016-07-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the Response Regulator NsrR from Streptococcus agalactiae, Which Is Involved in Lantibiotic Resistance.
Plos One, 11, 2016
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5DD4
 | | Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, TRANSCRIPTIONAL REGULATOR AraR | | Authors: | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
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5DDG
 | | The structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with target double strand DNA | | Descriptor: | DNA (27-MER), FORMIC ACID, MALONIC ACID, ... | | Authors: | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
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5CU2
 | | Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoat bound | | Descriptor: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-24 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.705 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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5CVH
 | | Crystal Structure of CK2alpha | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-26 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CVF
 | | Crystal Structure of CK2alpha with Compound 5 bound | | Descriptor: | 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-26 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5DN3
 | | Aurora A in complex with ATP and AA35. | | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | | Deposit date: | 2015-09-09 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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5E73
 | | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide | | Authors: | Lolli, G, Spiliotopoulos, D, Unzue, A, Nevado, C, Caflisch, A. | | Deposit date: | 2015-10-11 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
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5E74
 | | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide | | Authors: | Lolli, G, Spiliotopoulos, D, Dolbois, A, Nevado, C, Caflisch, A. | | Deposit date: | 2015-10-11 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
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5DWR
 | | Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies | | Descriptor: | N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | | Authors: | Bellamacina, C, Bussiere, D, Burger, M. | | Deposit date: | 2015-09-22 | | Release date: | 2015-11-11 | | Last modified: | 2015-11-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
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6M4W
 | | Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin | | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ... | | Authors: | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | | Deposit date: | 2020-03-09 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
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5F0P
 | | Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1(L557M) (SeMet labeled) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ... | | Authors: | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016
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