7OIF
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![BU of 7oif by Molmil](/molmil-images/mine/7oif) | CspA-27 cotranslational folding intermediate 2 | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V. | Deposit date: | 2021-05-11 | Release date: | 2022-01-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A switch from alpha-helical to beta-strand conformation during co-translational protein folding. Embo J., 41, 2022
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1VLS
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![BU of 1vls by Molmil](/molmil-images/mine/1vls) | LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR | Descriptor: | ASPARTATE RECEPTOR | Authors: | Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E. | Deposit date: | 1996-09-17 | Release date: | 1997-04-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor. J.Mol.Biol., 262, 1996
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7NWW
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![BU of 7nww by Molmil](/molmil-images/mine/7nww) | CspA-27 cotranslational folding intermediate 1 | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V. | Deposit date: | 2021-03-17 | Release date: | 2022-01-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | A switch from alpha-helical to beta-strand conformation during co-translational protein folding. Embo J., 41, 2022
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1VLT
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![BU of 1vlt by Molmil](/molmil-images/mine/1vlt) | LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR WITH ASPARTATE | Descriptor: | ASPARTATE RECEPTOR, ASPARTIC ACID | Authors: | Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E. | Deposit date: | 1996-09-17 | Release date: | 1997-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor. J.Mol.Biol., 262, 1996
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7OIG
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![BU of 7oig by Molmil](/molmil-images/mine/7oig) | CspA-27 cotranslational folding intermediate 3 | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V. | Deposit date: | 2021-05-11 | Release date: | 2022-01-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A switch from alpha-helical to beta-strand conformation during co-translational protein folding. Embo J., 41, 2022
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1FKI
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![BU of 1fki by Molmil](/molmil-images/mine/1fki) | DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS, AND THE X-RAY CRYSTAL STRUCTURES OF THEIR COMPLEXES WITH FKBP12 | Descriptor: | (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE, FK506 BINDING PROTEIN | Authors: | Holt, D.A, Luengo, J.I, Yamashita, D.S, Oh, H.-J, Konialian, A.L, Yen, H.-K, Rozamus, L.W, Brandt, M, Bossard, M.J, Levy, M.A, Eggleston, D.S, Stout, T.J, Liang, J, Schultz, L.W, Clardy, J. | Deposit date: | 1993-08-05 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS AND THE X-RAY CRYSTAL-STRUCTURES OF THEIR COMPLEXES WITH FKBP12. J.Am.Chem.Soc., 115, 1993
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4XFE
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![BU of 4xfe by Molmil](/molmil-images/mine/4xfe) | Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound D-glucuronate | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, SULFATE ION, TRAP dicarboxylate transporter subunit DctP, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-26 | Release date: | 2015-01-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound D-glucuronate To be published
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7OC8
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![BU of 7oc8 by Molmil](/molmil-images/mine/7oc8) | Trichoderma reesei Cel7A E212Q mutant in complex with pNPL | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | Authors: | Haataja, T, Sandgren, M, Stahlberg, J. | Deposit date: | 2021-04-26 | Release date: | 2022-03-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation. Febs J., 290, 2023
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7NYT
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![BU of 7nyt by Molmil](/molmil-images/mine/7nyt) | Trichoderma reesei Cel7A E212Q mutant in complex with lactose. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | Authors: | Haataja, T, Sandgren, M, Stahlberg, J. | Deposit date: | 2021-03-23 | Release date: | 2022-03-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation. Febs J., 290, 2023
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6XWS
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![BU of 6xws by Molmil](/molmil-images/mine/6xws) | Crystal Structure of Drosophila CAL1 1-160 bound to CENP-A/H4 | Descriptor: | Chromosome alignment defect 1,Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4 | Authors: | Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. | Deposit date: | 2020-01-24 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.36 Å) | Cite: | Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1. Embo J., 39, 2020
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6XWV
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![BU of 6xwv by Molmil](/molmil-images/mine/6xwv) | Crystal structure of drosophila melanogaster CENP-C bound to CAL1 | Descriptor: | Calmodulin, Ryanodine Receptor 2 | Authors: | Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. | Deposit date: | 2020-01-24 | Release date: | 2020-04-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1. Embo J., 39, 2020
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5XX9
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![BU of 5xx9 by Molmil](/molmil-images/mine/5xx9) | |
5XDZ
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![BU of 5xdz by Molmil](/molmil-images/mine/5xdz) | Crystal structure of zebrafish SNX25 PX domain | Descriptor: | CHLORIDE ION, Cellular trafficking protein, SODIUM ION | Authors: | Su, K, Zhang, Y, Xu, J, Liu, J. | Deposit date: | 2017-03-30 | Release date: | 2017-06-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the PX domain of SNX25 reveals a novel phospholipid recognition model by dimerization in the PX domain FEBS Lett., 591, 2017
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5J9F
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![BU of 5j9f by Molmil](/molmil-images/mine/5j9f) | Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183) | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong, J, Deis, S.M, Dann III, C.E. | Deposit date: | 2016-04-09 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis. J.Med.Chem., 59, 2016
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5J9Z
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![BU of 5j9z by Molmil](/molmil-images/mine/5j9z) | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | Descriptor: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | Authors: | Becker, C, Engel, J, Rauh, D. | Deposit date: | 2016-04-11 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR. Angew.Chem.Int.Ed.Engl., 55, 2016
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5IY5
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![BU of 5iy5 by Molmil](/molmil-images/mine/5iy5) | Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T. | Deposit date: | 2016-03-24 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode EMBO J., 36, 2017
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5J9Y
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![BU of 5j9y by Molmil](/molmil-images/mine/5j9y) | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b | Descriptor: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | Authors: | Becker, C, Engel, J, Rauh, D. | Deposit date: | 2016-04-11 | Release date: | 2016-08-17 | Last modified: | 2016-09-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR. Angew.Chem.Int.Ed.Engl., 55, 2016
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8IGO
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![BU of 8igo by Molmil](/molmil-images/mine/8igo) | Crystal structure of apo SARS-CoV-2 main protease | Descriptor: | 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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8IGN
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![BU of 8ign by Molmil](/molmil-images/mine/8ign) | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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2F77
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![BU of 2f77 by Molmil](/molmil-images/mine/2f77) | Solution structure of the R55F mutant of M-PMV matrix protein (p10) | Descriptor: | Core protein p10 | Authors: | Vlach, J, Lipov, J, Veverka, V, Lang, J, Srb, P, Rumlova, M, Hunter, E, Ruml, T, Hrabal, R. | Deposit date: | 2005-11-30 | Release date: | 2006-12-05 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | D-retrovirus morphogenetic switch driven by the targeting signal accessibility to Tctex-1 of dynein. Proc.Natl.Acad.Sci.USA, 105, 2008
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3BWA
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![BU of 3bwa by Molmil](/molmil-images/mine/3bwa) | Crystal Structure of HLA B*3508 in complex with a HCMV 8-mer peptide from the pp65 protein | Descriptor: | Beta-2-microglobulin, FPT peptide from 65 kDa lower matrix phosphoprotein, HLA class I histocompatibility antigen, ... | Authors: | Wynn, K.K, Marland, Z, Cooper, L, Silins, S.L, Gras, S, Archbold, J.K, Tynan, F.E, Miles, J.J, McCluskey, J, Burrows, S.R, Rossjohn, J, Khanna, R. | Deposit date: | 2008-01-08 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Impact of clonal competition for peptide-MHC complexes on the CD8+ T-cell repertoire selection in a persistent viral infection Blood, 111, 2008
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8VJC
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![BU of 8vjc by Molmil](/molmil-images/mine/8vjc) | Cryo-EM structure of short form insulin receptor (IR-A) with three IGF2 bound, asymmetric conformation. | Descriptor: | Insulin-like growth factor II, Isoform Short of Insulin receptor | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | Deposit date: | 2024-01-06 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Activation of the insulin receptor by insulin-like growth factor 2. Nat Commun, 15, 2024
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2GFS
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![BU of 2gfs by Molmil](/molmil-images/mine/2gfs) | P38 Kinase Crystal Structure in complex with RO3201195 | Descriptor: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | Authors: | Harris, S.F, Bertrand, J, Villasenor, A. | Deposit date: | 2006-03-23 | Release date: | 2006-04-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase J.Med.Chem., 49, 2006
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8VJB
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![BU of 8vjb by Molmil](/molmil-images/mine/8vjb) | Cryo-EM structure of short form insulin receptor (IR-A) with four IGF2 bound, symmetric conformation. | Descriptor: | Insulin-like growth factor II, Isoform Short of Insulin receptor | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | Deposit date: | 2024-01-06 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Activation of the insulin receptor by insulin-like growth factor 2. Nat Commun, 15, 2024
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3CD4
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![BU of 3cd4 by Molmil](/molmil-images/mine/3cd4) | |