6YGW
 
 | | TGT W178F mutant labelled mit 5F-Trp crystallised at pH 5.5 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nguyen, A, Heine, A, Klebe, G. | | Deposit date: | 2020-03-27 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Mutation study on tRNA-guanine transglycosylase within 19F NMR experiments for conformational change analysis
To Be Published
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6YIE
 | | Structure of a Borealin-INCENP-Survivin complex | | Descriptor: | Baculoviral IAP repeat-containing protein 5, Borealin, Inner centromere protein, ... | | Authors: | Serena, M, Elliott, P.R, Barr, F.A. | | Deposit date: | 2020-04-01 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Molecular basis of MKLP2-dependent Aurora B transport from chromatin to the anaphase central spindle.
J.Cell Biol., 219, 2020
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8S99
 | | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | | Descriptor: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2023-03-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
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6EBP
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4QPQ
 | | Mechanistic basis of plasmid-specific DNA binding of the F plasmid regulatory protein, TraM | | Descriptor: | Relaxosome protein TraM, sbmA DNA1, sbmA DNA2 | | Authors: | Peng, Y, Lu, J, Wong, J, Edwards, R.A, Frost, L.S, Glover, J.N.M. | | Deposit date: | 2014-06-24 | | Release date: | 2014-09-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.106 Å) | | Cite: | Mechanistic Basis of Plasmid-Specific DNA Binding of the F Plasmid Regulatory Protein, TraM.
J.Mol.Biol., 426, 2014
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6VB4
 | | HLA-B*15:02 complexed with a synthetic peptide | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... | | Authors: | Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A. | | Deposit date: | 2019-12-18 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.334 Å) | | Cite: | HLA-B*15:02 complexed with a synthetic peptide
To Be Published
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4QX6
 | | CRYSTAL STRUCTURE OF GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM STREPTOCOCCUS AGALACTIAE NEM316 at 2.46 ANGSTROM RESOLUTION | | Descriptor: | 1,2-ETHANEDIOL, Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Ayres, C.A, Schormann, N, Banerjee, S, Chattopadhyay, D. | | Deposit date: | 2014-07-18 | | Release date: | 2014-10-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure of Streptococcus agalactiae glyceraldehyde-3-phosphate dehydrogenase holoenzyme reveals a novel surface.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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6UZQ
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7PXH
 | | Emodepside-bound Drosophila Slo channel | | Descriptor: | (3~{S},6~{R},9~{S},12~{R},15~{S},18~{R},21~{S},24~{R})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, ... | | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-15 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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6YJS
 | | Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with biantennary pentasaccharide M592 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ... | | Authors: | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | | Deposit date: | 2020-04-04 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
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4QXL
 | | Crystal Structure of FLHE | | Descriptor: | Flagellar protein flhE | | Authors: | Lee, J, Monzingo, A.F, Keatinge-Clay, A.T, Harshey, R.M. | | Deposit date: | 2014-07-21 | | Release date: | 2015-01-14 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.512 Å) | | Cite: | Structure of Salmonella FlhE, Conserved Member of a Flagellar Type III Secretion Operon.
J.Mol.Biol., 427, 2015
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7PXG
 | | Verruculogen-bound Drosophila Slo channel | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ... | | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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8S9A
 | | Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279 | | Descriptor: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2023-03-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
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4QY8
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8) in complex with 3D7-MSP2 14-30 | | Descriptor: | Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 | | Authors: | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | Deposit date: | 2014-07-24 | | Release date: | 2015-06-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.353 Å) | | Cite: | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
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5M75
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6YKE
 | | Crystal structure of YTHDC1 with compound DHU_DC1_038 | | Descriptor: | (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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7PXF
 | | Ca2+ free Drosophila Slo channel | | Descriptor: | Isoform J of Calcium-activated potassium channel slowpoke, MAGNESIUM ION, POTASSIUM ION | | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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6YIV
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4QQD
 | | Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2014-08-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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7PXE
 | | Ca2+ bound Drosophila Slo channel | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ... | | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.38 Å) | | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
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7MHR
 | | KcsA E71V closed gate with K+ | | Descriptor: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | | Deposit date: | 2021-04-15 | | Release date: | 2022-03-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.
Nat Commun, 13, 2022
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8S98
 | | Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | | Descriptor: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2023-03-27 | | Release date: | 2023-07-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
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7MHX
 | | KcsA E71V closed gate with Ba2+ | | Descriptor: | BARIUM ION, DIACYL GLYCEROL, Fab heavy chain, ... | | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | | Deposit date: | 2021-04-15 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.
Nat Commun, 13, 2022
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7MUB
 | | KcsA Open gate E71V mutant in Potassium | | Descriptor: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | | Deposit date: | 2021-05-14 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.
Nat Commun, 13, 2022
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6LY8
 | | V/A-ATPase from Thermus thermophilus, the soluble domain, including V1, d, two EG stalks, and N-terminal domain of a-subunit. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | | Authors: | Kishikawa, J, Nakanishi, A, Furuta, A, Kato, T, Namba, K, Tamakoshi, M, Mitsuoka, K, Yokoyama, K. | | Deposit date: | 2020-02-13 | | Release date: | 2020-09-09 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mechanical inhibition of isolated V o from V/A-ATPase for proton conductance.
Elife, 9, 2020
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