4NF0
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOMONAS AERUGINOSA PAO1 (PA4616), TARGET EFI-510182, WITH BOUND L-Malate | Descriptor: | (2S)-2-hydroxybutanedioic acid, Probable c4-dicarboxylate-binding protein, SULFATE ION | Authors: | Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-10-30 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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4NG7
| Crystal structure of a TRAP periplasmic solute binding protein from Citrobacter koseri (CKO_04899), Target EFI-510094, apo, open structure | Descriptor: | TRAP periplasmic solute binding protein | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-11-01 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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7U9S
| Crystal structure of human D-amino acid oxidase in complex with inhibitor | Descriptor: | 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Skene, R.J, Bell, J.A. | Deposit date: | 2022-03-11 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform. J.Med.Chem., 65, 2022
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7U9U
| Crystal structure of human D-amino acid oxidase in complex with inhibitor | Descriptor: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ... | Authors: | Skene, R.J, Bell, J.A. | Deposit date: | 2022-03-11 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform. J.Med.Chem., 65, 2022
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7USL
| Integrin alphaM/beta2 ectodomain in complex with adenylate cyclase toxin RTX751 and M1F5 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Goldsmith, J.A, McLellan, J.S. | Deposit date: | 2022-04-25 | Release date: | 2022-08-17 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for non-canonical integrin engagement by Bordetella adenylate cyclase toxin. Cell Rep, 40, 2022
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7USM
| Integrin alphaM/beta2 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Goldsmith, J.A, McLellan, J.S. | Deposit date: | 2022-04-25 | Release date: | 2022-08-17 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for non-canonical integrin engagement by Bordetella adenylate cyclase toxin. Cell Rep, 40, 2022
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7Z7D
| Tubulin-Todalam-Vinblastine-complex | Descriptor: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Roy, B, Prota, A.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2022-03-15 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action. Angew.Chem.Int.Ed.Engl., 61, 2022
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7Z53
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6I5C
| Long wavelength native-SAD phasing of Tubulin-Stathmin-TTL complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M. | Deposit date: | 2018-11-13 | Release date: | 2019-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Long-wavelength native-SAD phasing: opportunities and challenges. Iucrj, 6, 2019
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6DL8
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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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6DF0
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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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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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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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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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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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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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