5A2K
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![BU of 5a2k by Molmil](/molmil-images/mine/5a2k) | Crystal structure of scFv-SM3 in complex with APD-TGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5APO
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![BU of 5apo by Molmil](/molmil-images/mine/5apo) | Structure of the yeast 60S ribosomal subunit in complex with Arx1, Alb1 and C-terminally tagged Rei1 | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Greber, B.J, Gerhardy, S, Leitner, A, Leibundgut, M, Salem, M, Boehringer, D, Leulliot, N, Aebersold, R, Panse, V.G, Ban, N. | Deposit date: | 2015-09-17 | Release date: | 2015-12-16 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Insertion of the Biogenesis Factor Rei1 Probes the Ribosomal Tunnel during 60S Maturation. Cell(Cambridge,Mass.), 164, 2016
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5AYN
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![BU of 5ayn by Molmil](/molmil-images/mine/5ayn) | Crystal structure of a bacterial homologue of iron transporter ferroportin in outward-facing state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POTASSIUM ION, Solute carrier family 39 (Iron-regulated transporter) | Authors: | Taniguchi, R, Kato, H.E, Font, J, Deshpande, C.N, Ishitani, R, Jormakka, M, Nureki, O. | Deposit date: | 2015-08-25 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Outward- and inward-facing structures of a putative bacterial transition-metal transporter with homology to ferroportin Nat Commun, 6, 2015
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5B76
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5BKD
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![BU of 5bkd by Molmil](/molmil-images/mine/5bkd) | Crystal structure of AAD-1 in complex with (R)-cyhalofop, Mn(II), and 2-oxoglutarate | Descriptor: | (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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7UMM
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![BU of 7umm by Molmil](/molmil-images/mine/7umm) | H1 Solomon Islands 2006 hemagglutinin in complex with Ab109 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Windsor, I.W, Caradonna, T.M, Schmidt, A.G. | Deposit date: | 2022-04-07 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | An epitope-enriched immunogen expands responses to a conserved viral site. Cell Rep, 41, 2022
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5CCS
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![BU of 5ccs by Molmil](/molmil-images/mine/5ccs) | Human Cyclophilin D Complexed with Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | Deposit date: | 2015-07-02 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human Cyclophilin D Complexed with Inhibitor To Be Published
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5CIX
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![BU of 5cix by Molmil](/molmil-images/mine/5cix) | Structure of the complex of type 1 Ribosome inactivating protein with triethanolamine at 1.88 Angstrom resolution | Descriptor: | 2,2',2''-NITRILOTRIETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ... | Authors: | Singh, P.K, Pandey, S, Tyagi, T.K, Singh, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-07-13 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure of the complex of type 1 Ribosome inactivating protein with triethanolamine at 1.88 Angstrom resolution. To Be Published
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7VZB
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![BU of 7vzb by Molmil](/molmil-images/mine/7vzb) | Cryo-EM structure of C22:0-CoA bound human very long-chain fatty acid ABC transporter ABCD1 | Descriptor: | CHOLESTEROL HEMISUCCINATE, Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] docosanethioate | Authors: | Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2021-11-15 | Release date: | 2022-05-18 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1. Nat Commun, 13, 2022
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8J7C
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![BU of 8j7c by Molmil](/molmil-images/mine/8j7c) | Crystal structure of triosephosphate isomerase from Leishmania orientalis at 1.88A with an arsenic ion bound at Cys57 | Descriptor: | ARSENIC, Triosephosphate isomerase | Authors: | Kuaprasert, B, Attarataya, J, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Mungthin, M, Leelayoova, S, Choowongkomon, K, Leartsakulpanich, U. | Deposit date: | 2023-04-27 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Leishmania orientalis triosephosphate isomerase crystal structure at 1.45 angstroms resolution and its potential specific inhibitors To be published
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7FYP
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![BU of 7fyp by Molmil](/molmil-images/mine/7fyp) | Crystal Structure of human FABP4 in complex with (1S,2S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylcyclopropane-1-carboxylic acid | Descriptor: | (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ... | Authors: | Ehler, A, Benz, J, Obst, U, Woltering, T, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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8JBP
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![BU of 8jbp by Molmil](/molmil-images/mine/8jbp) | Crystal structure of triosephosphate isomerase from Leishmania orientalis at 1.45 angstroms resolution with an arsenic atom bound at Cys57 | Descriptor: | ARSENIC, Triosephosphate isomerase | Authors: | Kuaprasert, B, Leartsakulpanich, U, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Robinson, R.C, Zhou, Y, Mungthin, M, Leelayoova, S, Saehlee, S, Choowongkomon, K. | Deposit date: | 2023-05-09 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Leishmania orientalis triosephosphate isomerase crystal structure at 1.45 angstroms resolution and its potential specific inhibitors To be published
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5APN
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![BU of 5apn by Molmil](/molmil-images/mine/5apn) | Structure of the yeast 60S ribosomal subunit in complex with Arx1, Alb1 and N-terminally tagged Rei1 | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Greber, B.J, Gerhardy, S, Leitner, A, Leibundgut, M, Salem, M, Boehringer, D, Leulliot, N, Aebersold, R, Panse, V.G, Ban, V. | Deposit date: | 2015-09-17 | Release date: | 2015-12-16 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Insertion of the Biogenesis Factor Rei1 Probes the Ribosomal Tunnel during 60S Maturation. Cell, 164, 2015
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5AYM
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![BU of 5aym by Molmil](/molmil-images/mine/5aym) | Crystal structure of a bacterial homologue of iron transporter ferroportin in outward-facing state with soaked iron | Descriptor: | FE (II) ION, Solute carrier family 39 (Iron-regulated transporter) | Authors: | Taniguchi, R, Kato, H.E, Font, J, Deshpande, C.N, Ishitani, R, Jormakka, M, Nureki, O. | Deposit date: | 2015-08-25 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Outward- and inward-facing structures of a putative bacterial transition-metal transporter with homology to ferroportin Nat Commun, 6, 2015
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8JFB
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![BU of 8jfb by Molmil](/molmil-images/mine/8jfb) | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | Deposit date: | 2023-05-17 | Release date: | 2023-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy. Rsc Med Chem, 14, 2023
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5AYO
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![BU of 5ayo by Molmil](/molmil-images/mine/5ayo) | Crystal structure of a bacterial homologue of iron transporter ferroportin in inward-facing state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POTASSIUM ION, Solute carrier family 39 (Iron-regulated transporter), ... | Authors: | Taniguchi, R, Kato, H.E, Font, J, Deshpande, C.N, Ishitani, R, Jormakka, M, Nureki, O. | Deposit date: | 2015-08-25 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Outward- and inward-facing structures of a putative bacterial transition-metal transporter with homology to ferroportin Nat Commun, 6, 2015
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7DNC
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![BU of 7dnc by Molmil](/molmil-images/mine/7dnc) | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-09 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2. J.Med.Chem., 65, 2022
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5B78
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![BU of 5b78 by Molmil](/molmil-images/mine/5b78) | |
5COH
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![BU of 5coh by Molmil](/molmil-images/mine/5coh) | |
5C2C
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![BU of 5c2c by Molmil](/molmil-images/mine/5c2c) | GWS1B RubisCO: Form II RubisCO derived from uncultivated Gallionellacea species (unliganded form) | Descriptor: | CHLORIDE ION, Form II RubisCO, MAGNESIUM ION | Authors: | Arbing, M.A, Varaljay, V.A, Satagopan, S, Tabita, F.R. | Deposit date: | 2015-06-15 | Release date: | 2015-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Functional metagenomic selection of ribulose 1, 5-bisphosphate carboxylase/oxygenase from uncultivated bacteria. Environ.Microbiol., 18, 2016
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5A2L
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![BU of 5a2l by Molmil](/molmil-images/mine/5a2l) | Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ... | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5CZM
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![BU of 5czm by Molmil](/molmil-images/mine/5czm) | Crystal structure of a mutated catalytic domain of Human MMP12 in complex with RXP470 | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | Authors: | Rouanet-Mehouas, C, Roselia, L, Devel, L, Dive, V, Stura, E.A. | Deposit date: | 2015-07-31 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.303 Å) | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity. J. Med. Chem., 60, 2017
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2PSU
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![BU of 2psu by Molmil](/molmil-images/mine/2psu) | Crystal Structure of wild type HIV-1 protease in complex with CARB-AD37 | Descriptor: | ACETATE ION, N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-05-07 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis. Chem.Biol.Drug Des., 69, 2007
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5A2I
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![BU of 5a2i by Molmil](/molmil-images/mine/5a2i) | Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5A2J
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![BU of 5a2j by Molmil](/molmil-images/mine/5a2j) | Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP | Descriptor: | 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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