6TWY
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![BU of 6twy by Molmil](/molmil-images/mine/6twy) | MAGI1_2 complexed with a phosphomimetic RSK1 peptide | Descriptor: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2020-01-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study. Structure, 28, 2020
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7A6A
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![BU of 7a6a by Molmil](/molmil-images/mine/7a6a) | 1.15 A structure of human apoferritin obtained from Titan Mono- BCOR microscope | Descriptor: | Ferritin heavy chain, SODIUM ION | Authors: | Yip, K.M, Fischer, N, Chari, A, Stark, H. | Deposit date: | 2020-08-25 | Release date: | 2020-09-02 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (1.15 Å) | Cite: | Atomic-resolution protein structure determination by cryo-EM. Nature, 587, 2020
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7A8Z
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![BU of 7a8z by Molmil](/molmil-images/mine/7a8z) | |
9EMB
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![BU of 9emb by Molmil](/molmil-images/mine/9emb) | Structure of KefC Asp156Asn variant | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC | Authors: | Gulati, A, Kokane, S, Drew, D. | Deposit date: | 2024-03-07 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structure of KefC Asp156Asn variant To Be Published
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8YU5
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![BU of 8yu5 by Molmil](/molmil-images/mine/8yu5) | The structure of non-activated thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Varfolomeeva, L.A, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | Deposit date: | 2024-03-26 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of non-activated thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q) To Be Published
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7AA3
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9ARS
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![BU of 9ars by Molmil](/molmil-images/mine/9ars) | Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-245 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Misumi, S, Tamamura, H, Mitsuya, H. | Deposit date: | 2024-02-23 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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8BIZ
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![BU of 8biz by Molmil](/molmil-images/mine/8biz) | Cystathionine gamma-lyase from Toxoplasma gondii in complex with cysteine | Descriptor: | CYSTEINE, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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8RWY
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![BU of 8rwy by Molmil](/molmil-images/mine/8rwy) | DtpB hexamer from Streptomyces lividans | Descriptor: | Dyp-type peroxidase family, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Worrall, J.A.R, Chaplin, A.K, Allport, T. | Deposit date: | 2024-02-05 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | The oligomeric states of dye-decolorizing peroxidases from Streptomyces lividans and their implications for mechanism of substrate oxidation. Protein Sci., 33, 2024
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6WIZ
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![BU of 6wiz by Molmil](/molmil-images/mine/6wiz) | Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, ... | Authors: | Wu, N.C, Wilson, I.A. | Deposit date: | 2020-04-11 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor. Cell Host Microbe, 28, 2020
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8BIW
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![BU of 8biw by Molmil](/molmil-images/mine/8biw) | Cystathionine gamma-lyase N360S mutant in complex with DL-propargylglycine | Descriptor: | (2S)-2-aminopent-4-enoic acid, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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8WTQ
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![BU of 8wtq by Molmil](/molmil-images/mine/8wtq) | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH {1-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6-oxo-6,7,10,11-tetrahydro-5H,9H,13H-12-oxa-5,8-diaza-benzocycloundecene-8-carbonyl]-piperidin-4-yl}-acetic acid | Descriptor: | 2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid, PHOSPHATE ION, Squalene synthase | Authors: | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors. J.Med.Chem., 67, 2024
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6OAA
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![BU of 6oaa by Molmil](/molmil-images/mine/6oaa) | Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ... | Authors: | Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A. | Deposit date: | 2019-03-15 | Release date: | 2019-07-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding. Science, 365, 2019
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6TZX
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![BU of 6tzx by Molmil](/molmil-images/mine/6tzx) | Crystal Structure of Fungal RNA Kinase | Descriptor: | INOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, tRNA ligase | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | Deposit date: | 2019-08-13 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.529 Å) | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor. Nucleic Acids Res., 47, 2019
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8WTR
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![BU of 8wtr by Molmil](/molmil-images/mine/8wtr) | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH (1S,3R)-3-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6,8-dioxo-5,6,7,8,10,11-hexahydro-13H-12-oxa-5,9-diaza-benzocycloundecen-9-yl]-cyclohexanecarboxylic acid | Descriptor: | (1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid, PHOSPHATE ION, Squalene synthase | Authors: | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors. J.Med.Chem., 67, 2024
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6OAH
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6U03
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![BU of 6u03 by Molmil](/molmil-images/mine/6u03) | Crystal Structure of Fungal RNA Kinase | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, tRNA ligase | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | Deposit date: | 2019-08-13 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor. Nucleic Acids Res., 47, 2019
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8BIU
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![BU of 8biu by Molmil](/molmil-images/mine/8biu) | Cystathionine gamma-lyase in complex with cystathionine | Descriptor: | 2-KETOBUTYRIC ACID, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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6WML
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![BU of 6wml by Molmil](/molmil-images/mine/6wml) | Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod) | Descriptor: | (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L. | Deposit date: | 2020-04-21 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B. J.Med.Chem., 63, 2020
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8BIS
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![BU of 8bis by Molmil](/molmil-images/mine/8bis) | Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii in complex with DL-propargylglycine | Descriptor: | (2S)-2-aminopent-4-enoic acid, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.266 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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8YU6
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![BU of 8yu6 by Molmil](/molmil-images/mine/8yu6) | The structure of thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q), activated by crystal soaking with 1mM CuCl2 and 1 mM sodium ascorbate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Varfolomeeva, L.A, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | Deposit date: | 2024-03-26 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The structure of thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q), activated by crystal soaking with 1mM CuCl2 and 1 mM sodium ascorbate To Be Published
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9FEF
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![BU of 9fef by Molmil](/molmil-images/mine/9fef) | Cryo-EM structure of Trypanosoma cruzi (MDH)4-PEX5 complex | Descriptor: | Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Lipinski, O, Sonani, R.R, Blat, A, Jemiola-Rzeminska, M, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2024-05-19 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Cryo-EM structure of Trypanosoma cruzi (MDH)4-PEX5 complex To Be Published
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6ZNJ
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![BU of 6znj by Molmil](/molmil-images/mine/6znj) | MaeB full-length enzyme apoprotein form | Descriptor: | NADP-dependent malate dehydrogenase,Malate dehydrogenase | Authors: | Lovering, A.L, Harding, C.J. | Deposit date: | 2020-07-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
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8BIV
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![BU of 8biv by Molmil](/molmil-images/mine/8biv) | Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii | Descriptor: | Cystathionine beta-lyase, putative, GLYCEROL, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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6WNQ
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![BU of 6wnq by Molmil](/molmil-images/mine/6wnq) | E. coli ATP Synthase State 2a | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2020-04-23 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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