8CCC
| The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)propanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | Deposit date: | 2023-01-27 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
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8CBV
| HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916 | Descriptor: | (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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8CBU
| HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884 | Descriptor: | (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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8CBT
| HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872 | Descriptor: | (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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8CBS
| HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871 | Descriptor: | (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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8CBR
| HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2 | Descriptor: | (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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8CBO
| Structure of human mitochondrial MRPP1-MRPP2 in complex with mitochondrial pre-tRNA-Ile | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type-2, Mitochondrial Precursor tRNA-Ile(5,4), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, LUISI, B, TISNE, C. | Deposit date: | 2023-01-25 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for human mitochondrial tRNA maturation. Nat Commun, 15, 2024
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8CBM
| Structure of human mitochondrial CCA-adding enzyme in complex with mitochondrial pre-tRNA-Ile | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type-2, CCA tRNA nucleotidyltransferase 1, mitochondrial, ... | Authors: | MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, LUISI, B, TISNE, C. | Deposit date: | 2023-01-25 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structural basis for human mitochondrial tRNA maturation. Nat Commun, 15, 2024
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8CBL
| Structure of human mitochondrial RNase Z in complex with mitochondrial pre-tRNA-His(0,Ser) | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type-2, Mitochondrial Precursor tRNA-His(0,Ser), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, YU, W, LUISI, B, TISNE, C. | Deposit date: | 2023-01-25 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structural basis for human mitochondrial tRNA maturation. Nat Commun, 15, 2024
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8CBK
| Structure of human mitochondrial RNase P in complex with mitochondrial pre-tRNA-His(5,Ser) | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type-2, MAGNESIUM ION, Mitochondrial Precursor tRNA-His(5,Ser), ... | Authors: | MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, LUISI, B, TISNE, C. | Deposit date: | 2023-01-25 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structural basis for human mitochondrial tRNA maturation. Nat Commun, 15, 2024
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8CBJ
| Cryo-EM structure of Otu2-bound cytoplasmic pre-40S ribosome biogenesis complex | Descriptor: | 20S pre-ribosomal RNA, 20S-pre-rRNA D-site endonuclease NOB1, 40S ribosomal protein S0-A, ... | Authors: | Ikeuchi, K, Buschauer, R, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2023-01-25 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular basis for recognition and deubiquitination of 40S ribosomes by Otu2. Nat Commun, 14, 2023
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8CBF
| SARS-CoV-2 Delta-RBD complexed with Omi-42 and Beta-49 Fabs | Descriptor: | Beta-49 heavy chain, Beta-49 light chain, CHLORIDE ION, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection. Nat Commun, 15, 2024
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8CBE
| SARS-CoV-2 Delta-RBD complexed with BA.4/5-2 and Beta-49 Fabs | Descriptor: | BA.4/5-2 heavy chain, BA.4/5-2 light chain, Beta-49 heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection. Nat Commun, 15, 2024
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8CBD
| SARS-CoV-2 Delta-RBD complexed with BA.4/5-1 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-1 heavy chain, BA.4/5-1 light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.52 Å) | Cite: | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection. Nat Commun, 15, 2024
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8CB9
| PBP AccA from A. tumefaciens Bo542 in complex with D-Glucose-2-phosphate | Descriptor: | 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2023-01-25 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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8CB6
| Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in covalent complex with TAMRA tagged 1,6-Epi-cylcophellitol aziridine activity based probe | Descriptor: | (1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M. | Deposit date: | 2023-01-25 | Release date: | 2023-09-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases. Chem Sci, 14, 2023
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8CB3
| SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Papain-like protease nsp3 | Authors: | Morin, B, Ferron, F, Coutard, B, Canard, B, Marseilles Structural Genomics Program @ AFMB (MSGP) | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.572 Å) | Cite: | SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid To Be Published
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8CB1
| Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-PNT-DNM 15 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M. | Deposit date: | 2023-01-25 | Release date: | 2023-09-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases. Chem Sci, 14, 2023
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8CB0
| Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 and NADP+ | Descriptor: | 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Reis, J, Mattevi, A. | Deposit date: | 2023-01-24 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting ROS production through inhibition of NADPH oxidases. Nat.Chem.Biol., 19, 2023
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8CAY
| PBP AccA from A. tumefaciens Bo542 in complex with Agrocinopine D-like | Descriptor: | Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses), Agrocinopine utilization periplasmic binding protein AccA, ... | Authors: | Morera, S, Vigouroux, A, Siragu, S. | Deposit date: | 2023-01-24 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.626 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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8CAX
| Structure of Tau filaments Type II from Subacute Sclerosing Panencephalitis | Descriptor: | Microtubule-associated protein tau | Authors: | Qi, C, Hasegawa, M, Takao, M, Sakai, M, Akagi, M, Iwasaki, Y, Yoshida, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2023-01-24 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Identical tau filaments in subacute sclerosing panencephalitis and chronic traumatic encephalopathy. Acta Neuropathol Commun, 11, 2023
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8CAW
| PBP AccA from A. tumefaciens Bo542 in complex with agrocin84 | Descriptor: | 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid, ... | Authors: | Morera, S, Vigouroux, A, El Sahili, A. | Deposit date: | 2023-01-24 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.256 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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8CAS
| Cryo-EM structure of native Otu2-bound ubiquitinated 48S initiation complex (partial) | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Ikeuchi, K, Buschauer, R, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2023-01-24 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for recognition and deubiquitination of 40S ribosomes by Otu2. Nat Commun, 14, 2023
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8CAQ
| Structure of Tau filaments Type I from Subacute Sclerosing Panencephalitis | Descriptor: | Microtubule-associated protein tau | Authors: | Qi, C, Hasegawa, M, Takao, M, Sakai, M, Akagi, M, Iwasaki, Y, Yoshida, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2023-01-24 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Identical tau filaments in subacute sclerosing panencephalitis and chronic traumatic encephalopathy. Acta Neuropathol Commun, 11, 2023
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8CAP
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