6E9V
 
 | | DHF79 filament | | Descriptor: | DHF79 filament | | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | | Deposit date: | 2018-08-01 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | De novo design of self-assembling helical protein filaments.
Science, 362, 2018
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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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6EGN
 | | Crystal Structure of a Three-stranded Coiled Coil Peptide Containing a Trigonal Planar Hg(II)S3 Site Modified by D-Leu in the Second Coordination Sphere | | Descriptor: | CHLORIDE ION, Hg(II)(GRAND CoilSerL16CL19(DLE))3-, MERCURY (II) ION, ... | | Authors: | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2018-08-20 | | Release date: | 2019-04-03 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
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6EIN
 | | Crystal structure of KDM5B in complex with S49365a. | | Descriptor: | 1,2-ETHANEDIOL, 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of KDM5B in complex with S49365a.
To Be Published
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6EHO
 | | Dimer of the Sortilin Vps10p domain at low pH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Thirup, S.S, Quistgaard, E.H, Januliene, D, Andersen, J.L, Nielsen, J.A. | | Deposit date: | 2017-09-14 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Acidic Environment Induces Dimerization and Ligand Binding Site Collapse in the Vps10p Domain of Sortilin.
Structure, 25, 2017
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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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6ES0
 | | Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35 | | Descriptor: | 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2 | | Authors: | Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N. | | Deposit date: | 2017-10-19 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6EGO
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6EI0
 | | Cytosolic copper storage protein Csp from Streptomyces lividans: apo form | | Descriptor: | Cytosolic copper storage protein (Ccsp), GLYCEROL, SULFATE ION, ... | | Authors: | Straw, M.L, Chaplin, A.K, Hough, M.A, Worrall, J.A.R. | | Deposit date: | 2017-09-15 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | A cytosolic copper storage protein provides a second level of copper tolerance in Streptomyces lividans.
Metallomics, 10, 2018
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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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3L21
 | | The crystal structure of a dimeric mutant of dihydrodipicolinate synthase (DAPA, RV2753C) from Mycobacterium Tuberculosis - DHDPS-A204R | | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Evans, G.L, Schuldt, L, Jamerson, G.B, Devenish, S.R, Weiss, M.S, Gerrard, J.A. | | Deposit date: | 2009-12-14 | | Release date: | 2010-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A dimeric mutant of DHDPS from Mycobacterium tuberculosis
To be Published
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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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6E9T
 | | DHF58 filament | | Descriptor: | DHF58 filament | | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | | Deposit date: | 2018-08-01 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | De novo design of self-assembling helical protein filaments.
Science, 362, 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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6SFC
 | | EED in complex with a methyl-thiazole | | Descriptor: | CALCIUM ION, N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Read, J.A. | | Deposit date: | 2019-08-01 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
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6E5L
 | | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiol (abn-CBD) | | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-20 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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3L40
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6SJT
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5K4D
 | | Structure of eukaryotic translation initiation factor 3 subunit D (eIF3d) cap binding domain from Nasonia vitripennis, Crystal form 3 | | Descriptor: | 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 (2 Å) | | Cite: | eIF3d is an mRNA cap-binding protein that is required for specialized translation initiation.
Nature, 536, 2016
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6E5W
 | | Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD) | | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5 | | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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3LQ6
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6E5V
 | | human mGlu8 receptor amino terminal domain in complex with (S)-3,4-Dicarboxyphenylglycine (DCPG) | | Descriptor: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 8 | | Authors: | Chen, Q, Ho, J.D, Ashok, S, Vargas, M.C, Wang, J, Atwell, S, Bures, M, Schkeryantz, J.M, Monn, J.A, Hao, J. | | Deposit date: | 2018-07-23 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural Basis for ( S)-3,4-Dicarboxyphenylglycine (DCPG) As a Potent and Subtype Selective Agonist of the mGlu8Receptor.
J. Med. Chem., 61, 2018
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5JXP
 | | Crystal structure of Porphyromonas endodontalis DPP11 in alternate conformation | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CALCIUM ION, 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 (2.5 Å) | | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
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6E9Y
 | | DHF38 filament | | Descriptor: | DHF38 filament | | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | | Deposit date: | 2018-08-01 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | De novo design of self-assembling helical protein filaments.
Science, 362, 2018
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