6WAS
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![BU of 6was by Molmil](/molmil-images/mine/6was) | Structure of D19.PA8 Fab in complex with 1FD6 16055 V1V2 scaffold | Descriptor: | 1FD6 16055 V1V2 scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, GN1_PA8 Fab Heavy chain, ... | Authors: | Singh, S, Liban, T.J, Pancera, M. | Deposit date: | 2020-03-26 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization. Plos Pathog., 17, 2021
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1A2C
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![BU of 1a2c by Molmil](/molmil-images/mine/1a2c) | Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA | Descriptor: | Aeruginosin 298-A, Hirudin variant-2, SODIUM ION, ... | Authors: | Rios-Steiner, J.L, Murakami, M, Tulinsky, A. | Deposit date: | 1997-12-26 | Release date: | 1998-07-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Thrombin Inhibited by Aeruginosin 298-A from a Blue-Green Alga J.Am.Chem.Soc., 120, 1998
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6QAJ
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![BU of 6qaj by Molmil](/molmil-images/mine/6qaj) | Structure of the tripartite motif of KAP1/TRIM28 | Descriptor: | Endolysin,Transcription intermediary factor 1-beta, ZINC ION | Authors: | Stoll, G.A, Oda, S, Yu, M, Modis, Y. | Deposit date: | 2018-12-19 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structure of KAP1 tripartite motif identifies molecular interfaces required for retroelement silencing. Proc.Natl.Acad.Sci.USA, 116, 2019
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1A9R
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![BU of 1a9r by Molmil](/molmil-images/mine/1a9r) | BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH HYPOXANTHINE AND SULFATE | Descriptor: | HYPOXANTHINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Mao, C, Cook, W.J, Zhou, M, Fedorov, A.A, Almo, S.C, Ealick, S.E. | Deposit date: | 1998-04-10 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calf spleen purine nucleoside phosphorylase complexed with substrates and substrate analogues. Biochemistry, 37, 1998
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6QF7
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![BU of 6qf7 by Molmil](/molmil-images/mine/6qf7) | Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, ... | Authors: | Pathak, M, Mannal, R, Li, C, Bubacarr, G.K, Badraldin, K.H, Belviso, B.D, Camila, R.B, Dreveny, I, Fischer, P.M, Dekker, L.V, Oliva, M.L.V, Emsley, J. | Deposit date: | 2019-01-09 | Release date: | 2019-06-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics. Acta Crystallogr D Struct Biol, 75, 2019
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1THG
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![BU of 1thg by Molmil](/molmil-images/mine/1thg) | 1.8 ANGSTROMS REFINED STRUCTURE OF THE LIPASE FROM GEOTRICHUM CANDIDUM | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Schrag, J.D, Cygler, M. | Deposit date: | 1992-07-28 | Release date: | 1993-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 A refined structure of the lipase from Geotrichum candidum. J.Mol.Biol., 230, 1993
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6NRV
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![BU of 6nrv by Molmil](/molmil-images/mine/6nrv) | |
1A9Q
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![BU of 1a9q by Molmil](/molmil-images/mine/1a9q) | BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH INOSINE | Descriptor: | HYPOXANTHINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Mao, C, Cook, W.J, Zhou, M, Fedorov, A.A, Almo, S.C, Ealick, S.E. | Deposit date: | 1998-04-10 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calf spleen purine nucleoside phosphorylase complexed with substrates and substrate analogues. Biochemistry, 37, 1998
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6HLN
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![BU of 6hln by Molmil](/molmil-images/mine/6hln) | |
7ZI1
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![BU of 7zi1 by Molmil](/molmil-images/mine/7zi1) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi1 inhibitor | Descriptor: | Deoxycytidine kinase, N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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6HMP
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![BU of 6hmp by Molmil](/molmil-images/mine/6hmp) | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azoimidazole-based Inhibitor (compound 3) | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, PHOSPHATE ION | Authors: | Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U. | Deposit date: | 2018-09-12 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.039 Å) | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
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6QCY
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![BU of 6qcy by Molmil](/molmil-images/mine/6qcy) | MloK1 model from single particle analysis of 2D crystals, class 2 (intermediate conformation) | Descriptor: | Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION | Authors: | Righetto, R, Biyani, N, Kowal, J, Chami, M, Stahlberg, H. | Deposit date: | 2018-12-31 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Retrieving high-resolution information from disordered 2D crystals by single-particle cryo-EM. Nat Commun, 10, 2019
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6FHX
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![BU of 6fhx by Molmil](/molmil-images/mine/6fhx) | Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Lectin PHL, ... | Authors: | Houser, J, Jancarikova, G, Wimmerova, M. | Deposit date: | 2018-01-16 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica. Sci Rep, 9, 2019
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7ZI3
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![BU of 7zi3 by Molmil](/molmil-images/mine/7zi3) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0642 inhibitor | Descriptor: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7TL7
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![BU of 7tl7 by Molmil](/molmil-images/mine/7tl7) | 1.90A resolution structure of independent phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Sa-D2) | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, IMIDAZOLE, SODIUM ION, ... | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases. Acs Chem.Biol., 17, 2022
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7ZI6
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![BU of 7zi6 by Molmil](/molmil-images/mine/7zi6) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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1X69
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![BU of 1x69 by Molmil](/molmil-images/mine/1x69) | Solution structures of the SH3 domain of human Src substrate cortactin | Descriptor: | cortactin isoform a | Authors: | Sato, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-17 | Release date: | 2005-11-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structures of the SH3 domain of human Src substrate cortactin To be Published
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4QS5
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![BU of 4qs5 by Molmil](/molmil-images/mine/4qs5) | CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND MANGANESE AND 3-methoxy-4-hydroxy-5-nitrobenzoic acid, THE D314N MUTANT | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Raushel, M, Almo, S.C. | Deposit date: | 2014-07-02 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of 5-CARBOXYVANILLATE Decarboxylase from Novosphingobium Aromaticivorans To be Published
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6HQY
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![BU of 6hqy by Molmil](/molmil-images/mine/6hqy) | Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051 | Descriptor: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ... | Authors: | Marek, M, Shaik, T.B, Romier, C. | Deposit date: | 2018-09-25 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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7ZI5
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![BU of 7zi5 by Molmil](/molmil-images/mine/7zi5) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0274 inhibitor | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI7
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![BU of 7zi7 by Molmil](/molmil-images/mine/7zi7) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0345 inhibitor | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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1SSL
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![BU of 1ssl by Molmil](/molmil-images/mine/1ssl) | Solution structure of the PSI domain from the Met receptor | Descriptor: | Hepatocyte growth factor receptor | Authors: | Kozlov, G, Perreault, A, Schrag, J.D, Cygler, M, Gehring, K, Ekiel, I. | Deposit date: | 2004-03-24 | Release date: | 2004-10-12 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Insights into function of PSI domains from structure of the Met receptor PSI domain. Biochem.Biophys.Res.Commun., 321, 2004
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7ZIA
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![BU of 7zia by Molmil](/molmil-images/mine/7zia) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0634 inhibitor | Descriptor: | 2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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6HMS
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![BU of 6hms by Molmil](/molmil-images/mine/6hms) | Cryo-EM map of DNA polymerase D from Pyrococcus abyssi in complex with DNA | Descriptor: | DNA (5'-D(*GP*AP*GP*AP*CP*GP*GP*GP*CP*CP*GP*CP*GP*TP*C)-3'), DNA (5'-D(P*TP*GP*AP*CP*GP*CP*GP*GP*CP*CP*CP*GP*TP*CP*TP*C)-3'), DNA polymerase II large subunit,DNA polymerase II large subunit, ... | Authors: | Raia, P, Carroni, M, Sauguet, L. | Deposit date: | 2018-09-12 | Release date: | 2019-01-30 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Structure of the DP1-DP2 PolD complex bound with DNA and its implications for the evolutionary history of DNA and RNA polymerases. PLoS Biol., 17, 2019
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6FHI
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![BU of 6fhi by Molmil](/molmil-images/mine/6fhi) | |