5JOB
 
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2016-05-02 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92A at cryogenic temperature
To be Published
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6ESL
 | | Crystal structure of the Legionella pneumoppila LapA | | Descriptor: | Bacterial leucyl aminopeptidase, ZINC ION | | Authors: | Richardson, K, Garnett, J.A. | | Deposit date: | 2017-10-22 | | Release date: | 2018-04-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Type II Secretion-Dependent Aminopeptidase LapA and Acyltransferase PlaC Are Redundant for Nutrient Acquisition duringLegionella pneumophilaIntracellular Infection of Amoebas.
MBio, 9, 2018
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1XOC
 | | The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide. | | Descriptor: | Nonapeptide VDSKNTSSW, Oligopeptide-binding protein appA, ZINC ION | | Authors: | Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Wright, L, Vagin, A.A, Wilkinson, A.J. | | Deposit date: | 2004-10-06 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
J.Mol.Biol., 345, 2005
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6BYR
 | | Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha chimera, MAGNESIUM ION, ... | | Authors: | Cao, B, Lu, T.W, Martinez Fiesco, J.A, Tomasini, M, Fan, L, Simon, S.M, Taylor, S.S, Zhang, P. | | Deposit date: | 2017-12-21 | | Release date: | 2019-04-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.661 Å) | | Cite: | Structures of the PKA RI alpha Holoenzyme with the FLHCC Driver J-PKAc alpha or Wild-Type PKAc alpha.
Structure, 27, 2019
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1FDH
 | | STRUCTURE OF HUMAN FOETAL DEOXYHAEMOGLOBIN | | Descriptor: | HEMOGLOBIN F (DEOXY) (ALPHA CHAIN), HEMOGLOBIN F (DEOXY) (GAMMA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Frierjunior, J.A. | | Deposit date: | 1976-08-18 | | Release date: | 1976-08-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of human foetal deoxyhaemoglobin.
J.Mol.Biol., 112, 1977
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1FKJ
 | | ATOMIC STRUCTURE OF FKBP12-FK506, AN IMMUNOPHILIN IMMUNOSUPPRESSANT COMPLEX | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN | | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | Deposit date: | 1995-08-18 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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5JXK
 | | Crystal structure of Porphyromonas endodontalis DPP11 | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | | Authors: | Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A. | | Deposit date: | 2016-05-13 | | Release date: | 2017-06-14 | | Last modified: | 2017-06-21 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
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1FKL
 | | ATOMIC STRUCTURE OF FKBP12-RAPAYMYCIN, AN IMMUNOPHILIN-IMMUNOSUPPRESSANT COMPLEX | | Descriptor: | FK506 BINDING PROTEIN, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | Deposit date: | 1995-08-18 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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5JY8
 | | An iron-bound structure of the isochorismate synthase EntC | | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, FE (III) ION, Isochorismate synthase EntC | | Authors: | Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L. | | Deposit date: | 2016-05-13 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.942 Å) | | Cite: | An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
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5K4C
 | | Structure of eukaryotic translation initiation factor 3 subunit D (eIF3d) cap binding domain from Nasonia vitripennis, Crystal form 2 | | Descriptor: | Eukaryotic translation initiation factor 3 subunit D, GLYCEROL | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Doudna, J.A, Cate, J.H.D. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | eIF3d is an mRNA cap-binding protein that is required for specialized translation initiation.
Nature, 536, 2016
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6BWZ
 | | SYSGYS from low-complexity domain of FUS, residues 37-42 | | Descriptor: | SYSGYS peptide from low-complexity domain of FUS | | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Tamir, G, Eisenberg, D.S. | | Deposit date: | 2017-12-15 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
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5KB2
 | | Crystal Structure of a Tris-thiolate Zn(II)S3O Complex in a de Novo Three-stranded Coiled Coil Peptide | | Descriptor: | ZINC ION, Zn(II)(H2O)(GRAND Coil Ser-L12AL16C)3- | | Authors: | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2016-06-02 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
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5KCW
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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5KD9
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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5KB1
 | | Crystal Structure of a Tris-thiolate Hg(II) Complex in a de Novo Three Stranded Coiled Coil Peptide | | Descriptor: | CHLORIDE ION, Hg(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, MERCURY (II) ION, ... | | Authors: | Ruckcthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2016-06-02 | | Release date: | 2016-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
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5JY0
 | | Crystal structure of Porphyromonas endodontalis DPP11 in complex with substrate | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Asp/Glu-specific dipeptidyl-peptidase, LEU-ASP-VAL | | Authors: | Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A. | | Deposit date: | 2016-05-13 | | Release date: | 2017-06-14 | | Last modified: | 2017-06-21 | | Method: | X-RAY DIFFRACTION (2.599 Å) | | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
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6BXX
 | | GYNGFG from low-complexity domain of hnRNPA1, residues 243-248 | | Descriptor: | hnRNPA1 | | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Gonen, T, Eisenberg, D.S. | | Deposit date: | 2017-12-19 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
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6F58
 | | Crystal structure of human Brachyury (T) in complex with DNA | | Descriptor: | Brachyury protein, DNA (5'-D(*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP*AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*TP*T)-3'), SODIUM ION | | Authors: | Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-12-01 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.253 Å) | | Cite: | Crystal structure of human Brachyury (T) in complex with DNA
To Be Published
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6FD8
 | | Gamma-s crystallin dimer | | Descriptor: | Beta-crystallin S | | Authors: | Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A. | | Deposit date: | 2017-12-22 | | Release date: | 2018-12-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation.
J. Mol. Biol., 431, 2019
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5K20
 | | Caspase-7 S239E Phosphomimetic | | Descriptor: | Caspase-7 large subunit, Caspase-7 small subunit, FORMIC ACID | | Authors: | Eron, S.J, Hardy, J.A. | | Deposit date: | 2016-05-18 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PAK2 Phosphorylation Inhibits Caspase-7 by Two Divergent Mechanisms: Slowing Activation and Blocking Substrate Binding
To Be Published
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6C4G
 | | Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F. | | Deposit date: | 2018-01-11 | | Release date: | 2018-06-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
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5K4B
 | | Structure of eukaryotic translation initiation factor 3 subunit D (eIF3d) cap binding domain from Nasonia vitripennis, Crystal form 1 | | Descriptor: | CHLORIDE ION, Eukaryotic translation initiation factor 3 subunit D | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Doudna, J.A, Cate, J.H.D. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | eIF3d is an mRNA cap-binding protein that is required for specialized translation initiation.
Nature, 536, 2016
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6C7L
 | | Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a tetragonal crystal form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Jones, J.A, Larson, S.B, McPherson, A. | | Deposit date: | 2018-01-22 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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6C7Q
 | | BRD4 BD2 in complex with compound CE277 | | Descriptor: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2018-01-23 | | Release date: | 2018-08-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
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5K92
 | | Crystal Structure of an apo Tris-thiolate Binding Site in a de novo Three Stranded Coiled Coil Peptide | | Descriptor: | Apo-(CSL16C)3, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2016-05-31 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
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