7YXC
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![BU of 7yxc by Molmil](/molmil-images/mine/7yxc) | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | Descriptor: | Ancestral Glucocorticoid Receptor2, CARBONATE ION, DEXAMETHASONE, ... | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | Deposit date: | 2022-02-15 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
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7YX8
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![BU of 7yx8 by Molmil](/molmil-images/mine/7yx8) | Crystal structure of the AM0627 (E326A) inactive mutant in complex with PSGL-1-like bis-T glycopeptide and Zn2+ | Descriptor: | GLYCEROL, PSGL-1-like bis-T glycopeptide, Peptidase M60 domain-containing protein, ... | Authors: | Taleb, V, Liao, Q, Narimatsu, Y, Garcia-Garcia, A, Companon, I, Borges, R.J, Gonzalez-Ramirez, A.M, Corzana, F, Clausen, H, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2022-02-15 | Release date: | 2022-07-20 | Last modified: | 2022-08-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut. Nat Commun, 13, 2022
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7YX6
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![BU of 7yx6 by Molmil](/molmil-images/mine/7yx6) | Crystal structure of YTHDF2 with compound YLI_DF_027 | Descriptor: | 6-ethyl-1H-pyrimidine-2,4-dione, GLYCEROL, SULFATE ION, ... | Authors: | Nai, F, Li, Y, Caflisch, A. | Deposit date: | 2022-02-15 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7YWZ
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![BU of 7ywz by Molmil](/molmil-images/mine/7ywz) | Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 4 spermine molecules at 1.75 A resolution | Descriptor: | GLYCEROL, Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | Deposit date: | 2022-02-15 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 4 spermine molecules at 1.75 A resolution To Be Published
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7YWX
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![BU of 7ywx by Molmil](/molmil-images/mine/7ywx) | Structure of the human CCAN CENP-A alpha-satellite complex | Descriptor: | Centromere protein C, Centromere protein H, Centromere protein I, ... | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | Deposit date: | 2022-02-14 | Release date: | 2022-05-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome. Science, 376, 2022
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7YWW
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![BU of 7yww by Molmil](/molmil-images/mine/7yww) | Monocot chimeric jacalin JAC1 from Oryza sativa: lectin domain (crystal form 2) | Descriptor: | Dirigent protein, GLYCEROL, IODIDE ION, ... | Authors: | Huwa, N, Classen, T, Weiergraeber, O.H. | Deposit date: | 2022-02-14 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Crystal Structure of the Defense Conferring Rice Protein Os JAC1 Reveals a Carbohydrate Binding Site on the Dirigent-like Domain. Biomolecules, 12, 2022
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7YWU
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![BU of 7ywu by Molmil](/molmil-images/mine/7ywu) | Eugenol oxidase from rhodococcus jostii: mutant S81H, A423M, H434Y, S394V, I445D, S518P | Descriptor: | 2-methoxy-4-(prop-2-en-1-yl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Alvigini, L, Mattevi, A. | Deposit date: | 2022-02-14 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure- and computational-aided engineering of an oxidase to produce isoeugenol from a lignin-derived compound. Nat Commun, 13, 2022
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7YWT
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![BU of 7ywt by Molmil](/molmil-images/mine/7ywt) | human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide | Descriptor: | (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2022-02-14 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.106 Å) | Cite: | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs. J Enzyme Inhib Med Chem, 37, 2022
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7YWR
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7YWM
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![BU of 7ywm by Molmil](/molmil-images/mine/7ywm) | |
7YWK
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![BU of 7ywk by Molmil](/molmil-images/mine/7ywk) | Crystal structure of an engineered TycA variant, TycApPLA, in complex with AMP | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Mittl, P, Camus, A, Truong, G, Markert, G, Hilvert, D. | Deposit date: | 2022-02-14 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of alpha-Hydroxy Acids. J.Am.Chem.Soc., 144, 2022
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7YWJ
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![BU of 7ywj by Molmil](/molmil-images/mine/7ywj) | Crystal structure of an engineered TycA variant, TycA pPLA (L313P) | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Mittl, P, Camus, A, Truong, G, Markert, G, Hilvert, D. | Deposit date: | 2022-02-14 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of alpha-Hydroxy Acids. J.Am.Chem.Soc., 144, 2022
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7YWF
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![BU of 7ywf by Molmil](/molmil-images/mine/7ywf) | Monocot chimeric jacalin JAC1 from Oryza sativa: dirigent domain with bound galactobiose | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dirigent protein, ... | Authors: | Huwa, N, Classen, T, Weiergraeber, O.H. | Deposit date: | 2022-02-13 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Crystal Structure of the Defense Conferring Rice Protein Os JAC1 Reveals a Carbohydrate Binding Site on the Dirigent-like Domain. Biomolecules, 12, 2022
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7YWC
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![BU of 7ywc by Molmil](/molmil-images/mine/7ywc) | Enzyme of biosynthetic pathway | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, Chorismate dehydratase, GLYCEROL | Authors: | Archna, A, Breithaupt, C, Stubbs, M.T. | Deposit date: | 2022-02-12 | Release date: | 2022-10-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.917 Å) | Cite: | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis. J.Biol.Chem., 298, 2022
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7YWB
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![BU of 7ywb by Molmil](/molmil-images/mine/7ywb) | Crystal structure of YTHDF2 in complex with N6-Methyladenine | Descriptor: | CHLORIDE ION, GLYCEROL, N-METHYL-9H-PURIN-6-AMINE, ... | Authors: | Nai, F, Li, Y, Caflisch, A. | Deposit date: | 2022-02-12 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7YW5
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7YW2
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![BU of 7yw2 by Molmil](/molmil-images/mine/7yw2) | Crystal structure of tRNA 2'-phosphotransferase from Mus musculus | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ... | Authors: | Yang, X.Y, Liu, X.H. | Deposit date: | 2022-08-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation. Nucleic Acids Res., 51, 2023
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7YW0
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![BU of 7yw0 by Molmil](/molmil-images/mine/7yw0) | Bacteroides fragilis Hcp5 | Descriptor: | Bacterodales T6SS protein TssD (Hcp) | Authors: | Wen, Y, He, W, Bai, Y. | Deposit date: | 2022-08-20 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure and assembly of type VI secretion system cargo delivery vehicle. Cell Rep, 42, 2023
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7YVZ
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![BU of 7yvz by Molmil](/molmil-images/mine/7yvz) | Structure of Caenorhabditis elegans CISD-1/mitoNEET | Descriptor: | CDGSH iron-sulfur domain-containing protein 1 (CISD-1/mitoNEET), FE2/S2 (INORGANIC) CLUSTER | Authors: | Hasegawa, K, Hagiuda, E, Taguchi, A.T, Geldenhuys, W, Iwasaki, T, Kumasaka, T. | Deposit date: | 2022-08-20 | Release date: | 2022-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and biological evaluation of Caenorhabditis elegans CISD-1/mitoNEET, a KLP-17 tail domain homologue, supports attenuation of paraquat-induced oxidative stress through a p38 MAPK-mediated antioxidant defense response. Adv Redox Res, 6, 2022
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7YVX
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7YVW
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![BU of 7yvw by Molmil](/molmil-images/mine/7yvw) | NMR determination of the 2:1 binding motif structure involving cytosine flipping out for the recognition of the CGG/CGG triad DNA | Descriptor: | 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate, DNA (5'-D(*CP*AP*TP*TP*CP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*AP*CP*GP*GP*AP*AP*TP*G)-3') | Authors: | Furuita, K, Yamada, T, Sakurabayashi, S, Nomura, M, Kojima, C, Nakatani, K. | Deposit date: | 2022-08-19 | Release date: | 2023-06-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR determination of the 2:1 binding complex of naphthyridine carbamate dimer (NCD) and CGG/CGG triad in double-stranded DNA. Nucleic Acids Res., 50, 2022
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7YVV
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![BU of 7yvv by Molmil](/molmil-images/mine/7yvv) | AcmP1, R-4-hydroxymandelate synthase | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, CHLORIDE ION, FE (III) ION, ... | Authors: | Zhang, B, Ge, H.M. | Deposit date: | 2022-08-19 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of AcmP1 as the native R-4-hydroxymandelate synthase from biosynthetic pathway of Amycolamycins To Be Published
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7YVS
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![BU of 7yvs by Molmil](/molmil-images/mine/7yvs) | Complex structure of Clostridioides difficile binary toxin unfolded CDTa-bound CDTb-pore (short). | Descriptor: | ADP-ribosylating binary toxin binding subunit CdtB, ADP-ribosylating binary toxin enzymatic subunit CdtA, CALCIUM ION | Authors: | Yamada, T, Kawamoto, A, Yoshida, T, Sato, Y, Kato, T, Tsuge, H. | Deposit date: | 2022-08-19 | Release date: | 2022-10-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile. Nat Commun, 13, 2022
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7YVR
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![BU of 7yvr by Molmil](/molmil-images/mine/7yvr) | Crystal Structure of L-Threonine Aldolase from Neptunomonas marina | Descriptor: | GLYCEROL, L-threonine aldolase | Authors: | He, Y.Z, Wang, J, Yan, W.P, Zhang, Y, Feng, Y. | Deposit date: | 2022-08-19 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Engineering of the L-Threonine Aldolase from Neptunomonas marine for the Efficient Synthesis of beta-Hydroxy-alpha-amino Acids via C-C Formation Acs Catalysis, 2023
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7YVQ
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![BU of 7yvq by Molmil](/molmil-images/mine/7yvq) | Complex structure of Clostridioides difficile binary toxin folded CDTa-bound CDTb-pore (short). | Descriptor: | ADP-ribosylating binary toxin binding subunit CdtB, ADP-ribosylating binary toxin enzymatic subunit CdtA, CALCIUM ION | Authors: | Yamada, T, Kawamoto, A, Yoshida, T, Sato, Y, Kato, T, Tsuge, H. | Deposit date: | 2022-08-19 | Release date: | 2022-10-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile. Nat Commun, 13, 2022
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