6DEZ
 
 | | Anti-phosphotyrosine antibody PY20-4D5 Fab complexed with sulfate | | Descriptor: | Anti-phosphotyrosine antibody PY20-4D5 heavy chain, Anti-phosphotyrosine antibody PY20-4D5 light chain, SULFATE ION | | Authors: | Mou, K, Leung, K, Wells, J.A. | | Deposit date: | 2018-05-13 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
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6DO0
 | | Crystal structure of the multidrug binding transcriptional regulator LmrR in complex with Rhodium Bis-diphosphine Complex | | Descriptor: | Transcriptional regulator, PadR-like family, bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium | | Authors: | Zadvornyy, O.A, Laureanti, J.A, Katipamula, S, O'Hagan, M, Peters, J.W. | | Deposit date: | 2018-06-08 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.798 Å) | | Cite: | Protein Scaffold Activates Catalytic CO2 Hydrogenation by a Rhodium Bis(diphosphine) Complex
Acs Catalysis, 9, 2019
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6DYS
 | | C-terminal condensation domain of Ebony in complex with beta-alanyl-dopamine | | Descriptor: | CALCIUM ION, Ebony, N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide | | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6DYN
 | | C-terminal condensation domain of Ebony in complex with Histamine | | Descriptor: | CALCIUM ION, Ebony, HISTAMINE | | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6DZY
 | | Cryo-EM structure of the ts2-active human serotonin transporter in complex with 15B8 Fab and 8B6 ScFv bound to ibogaine | | Descriptor: | (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ... | | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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6DZV
 | | Wild type human serotonin transporter in complex with 15B8 Fab bound to ibogaine in occluded conformation | | Descriptor: | (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ... | | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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6DYO
 | | C-terminal condensation domain of Ebony in complex with L-Dopamine | | Descriptor: | CALCIUM ION, Ebony, L-DOPAMINE | | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6DZZ
 | | Cryo-EM Structure of the wild-type human serotonin transporter in complex with ibogaine and 15B8 Fab in the inward conformation | | Descriptor: | (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ... | | Authors: | Yang, D, Coleman, J.A, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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6DYM
 | | C-terminal condensation domain of Ebony | | Descriptor: | CALCIUM ION, Ebony | | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6DYR
 | | C-terminal condensation domain of Ebony in complex with Carcinine | | Descriptor: | Ebony, N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide | | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6DZW
 | | Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv | | Descriptor: | 15B8 antibody heavy chain, 15B8 antibody light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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6E6M
 | | Crystal structure of human cellular retinol-binding protein 1 in complex with cannabidiorcin (CBDO) | | Descriptor: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol, Retinol-binding protein 1 | | Authors: | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-25 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 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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6E9R
 | | DHF46 filament | | Descriptor: | DHF46 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 (5.9 Å) | | Cite: | De novo design of self-assembling helical protein filaments.
Science, 362, 2018
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6ELM
 | | Crystal structure of the human WNK2 CCT1 domain | | Descriptor: | Serine/threonine-protein kinase WNK2 | | Authors: | Pinkas, D.M, Bufton, J.C, Newman, J.A, Chalk, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2017-09-29 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Crystal structure of the human WNK2 CCT1 domain
To Be Published
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6E5T
 | | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO) | | Descriptor: | (1'R,2'R)-5',6-dimethyl-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, Horwitz, S, 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 (1.55 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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6E9Z
 | | DHF119 filament | | Descriptor: | DHF119 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 (3.4 Å) | | Cite: | De novo design of self-assembling helical protein filaments.
Science, 362, 2018
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6EGP
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5HS0
 | | Computationally Designed Cyclic Tetramer ank1C4_7 | | Descriptor: | Ankyrin domain protein ank1C4_7, GLYCEROL, SULFATE ION | | Authors: | McNamara, D.E, Cascio, D, Fallas, J.A, Baker, D, Yeates, T.O. | | Deposit date: | 2016-01-24 | | Release date: | 2017-04-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
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5HSG
 | | Crystal structure of an ABC transporter Solute Binding Protein from Klebsiella pneumoniae (KPN_01730, target EFI-511059), APO open structure | | Descriptor: | MAGNESIUM ION, Putative ABC transporter, nucleotide binding/ATPase protein | | Authors: | Roth, Y, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2016-01-25 | | Release date: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of an ABC transporter Solute Binding Protein from Klebsiella pneumoniae (KPN_01730, target EFI-511059), APO open structure
To be published
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4V8J
 | | Crystal structure of the bacterial ribosome ram mutation G347U. | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Fagan, C.E, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | | Deposit date: | 2011-12-20 | | Release date: | 2014-07-09 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Reorganization of an intersubunit bridge induced by disparate 16S ribosomal ambiguity mutations mimics an EF-Tu-bound state.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4UTT
 | | Structural characterisation of NanE, ManNac6P C2 epimerase, from Clostridium perfingens | | Descriptor: | ACETATE ION, CHLORIDE ION, PUTATIVE N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE | | Authors: | Pelissier, M.C, Sebban-Kreuzer, C, Guerlesquin, F, Brannigan, J.A, Davies, G.J, Bourne, Y, Vincent, F. | | Deposit date: | 2014-07-23 | | Release date: | 2014-10-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway.
J.Biol.Chem., 289, 2014
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5HKG
 | | Total chemical synthesis, refolding and crystallographic structure of a fully active immunophilin: calstabin 2 (FKBP12.6). | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | Authors: | Sirigu, S, Huet, T, Bacchi, M, Jullian, M, Fould, B, Ferry, G, Vuillard, L, Chavas, L, Puget, K, Nosjean, O, Boutin, J.A. | | Deposit date: | 2016-01-14 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Total chemical synthesis, refolding, and crystallographic structure of fully active immunophilin calstabin 2 (FKBP12.6).
Protein Sci., 25, 2016
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5HKO
 | | Crystal structure of ABC transporter Solute Binding Protein MSMEG_3598 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with L-sorbitol | | Descriptor: | ABC transporter, carbohydrate uptake transporter-2 (CUT2) family, periplasmic sugar-binding protein, ... | | Authors: | Roth, Y, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2016-01-14 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of ABC transporter Solute Binding Protein MSMEG_3598 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with L-sorbitol
To be published
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4UNR
 | | Mtb TMK in complex with compound 23 | | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNN
 | | Mtb TMK in complex with compound 8 | | Descriptor: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-29 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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