5B83
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4HTF
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![BU of 4htf by Molmil](/molmil-images/mine/4htf) | Crystal structure of S-adenosylmethionine-dependent methyltransferase from Escherichia coli in complex with S-adenosylmethionine. | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, S-ADENOSYLMETHIONINE, ... | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-11-01 | Release date: | 2012-11-21 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of S-adenosylmethionine-dependent methyltransferase from Escherichia coli in complex with S-adenosylmethionine. To be Published
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4LV2
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5AQZ
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![BU of 5aqz by Molmil](/molmil-images/mine/5aqz) | HSP72 with adenosine-derived inhibitor | Descriptor: | 1,2-ETHANEDIOL, HEAT SHOCK 70 KDA PROTEIN 1A, SANGIVAMYCIN | Authors: | Cheeseman, M.D, Westwood, I.M, Barbeau, O, Rowlands, M.G, Jones, A.M, Jeganathan, F, Burke, R, Dobson, S.E, Workman, P, Collins, I, van Montfort, R.L.M, Jones, K. | Deposit date: | 2015-09-22 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70. J.Med.Chem., 59, 2016
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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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4GEM
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![BU of 4gem by Molmil](/molmil-images/mine/4gem) | Crystal structure of Zucchini (K171A) | Descriptor: | 1,2-ETHANEDIOL, Mitochondrial cardiolipin hydrolase, ZINC ION | Authors: | Nishimasu, H, Fukuhara, S, Ishitani, R, Nureki, O. | Deposit date: | 2012-08-02 | Release date: | 2012-10-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structure and function of Zucchini endoribonuclease in piRNA biogenesis Nature, 491, 2012
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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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4MEN
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![BU of 4men by Molmil](/molmil-images/mine/4men) | Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-27 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening. J.Med.Chem., 56, 2013
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5B2V
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![BU of 5b2v by Molmil](/molmil-images/mine/5b2v) | Crystal Structure of P450BM3 with N-perfluorohexanoyl-L-tryptophan | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2016-02-03 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of P450BM3 with decoy molecules to be published
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4GMJ
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![BU of 4gmj by Molmil](/molmil-images/mine/4gmj) | Structure of human NOT1 MIF4G domain co-crystallized with CAF1 | Descriptor: | CCR4-NOT transcription complex subunit 1, CCR4-NOT transcription complex subunit 7, CHLORIDE ION, ... | Authors: | Petit, P, Weichenrieder, O, Wohlbold, L, Izaurralde, E. | Deposit date: | 2012-08-16 | Release date: | 2012-10-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structural basis for the interaction between the CAF1 nuclease and the NOT1 scaffold of the human CCR4-NOT deadenylase complex Nucleic Acids Res., 40, 2012
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4FVJ
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4FX5
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![BU of 4fx5 by Molmil](/molmil-images/mine/4fx5) | von Willebrand factor type A from Catenulispora acidiphila | Descriptor: | SODIUM ION, von Willebrand factor type A | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-07-02 | Release date: | 2012-07-18 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | von Willebrand factor type A from Catenulispora acidiphila To be Published
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4GKI
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![BU of 4gki by Molmil](/molmil-images/mine/4gki) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1 | Descriptor: | 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-08-11 | Release date: | 2012-09-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
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4LX2
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![BU of 4lx2 by Molmil](/molmil-images/mine/4lx2) | Crystal structure of Myo5a globular tail domain in complex with melanophilin GTBD | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Melanophilin, Unconventional myosin-Va | Authors: | Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A. | Deposit date: | 2013-07-29 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of myosin V Rab GTPase-dependent cargo recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4EAQ
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![BU of 4eaq by Molmil](/molmil-images/mine/4eaq) | Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with 3'-Azido-3'-Deoxythymidine-5'-Monophosphate | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, Thymidylate kinase | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2012-03-22 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with 3'-Azido-3'-Deoxythymidine-5'-Monophosphate To be Published
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4E40
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![BU of 4e40 by Molmil](/molmil-images/mine/4e40) | The haptoglobin-hemoglobin receptor of Trypanosoma congolense | Descriptor: | Putative uncharacterized protein | Authors: | Higgins, M.K, Tkachenko, O, Brown, A, Reed, J, Carrington, M. | Deposit date: | 2012-03-11 | Release date: | 2013-01-16 | Last modified: | 2013-02-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the trypanosome haptoglobin-hemoglobin receptor and implications for nutrient uptake and innate immunity. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MA1
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![BU of 4ma1 by Molmil](/molmil-images/mine/4ma1) | Unliganded 3 crystal structure of S25-26 Fab | Descriptor: | DI(HYDROXYETHYL)ETHER, POTASSIUM ION, S25-26 Fab (IgG1k) heavy chain, ... | Authors: | Haji-Ghassemi, O, Evans, S.V. | Deposit date: | 2013-08-15 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan. J.Biol.Chem., 289, 2014
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4LTB
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![BU of 4ltb by Molmil](/molmil-images/mine/4ltb) | Coiled-coil domain of TRIM25 | Descriptor: | Tripartite motif-containing 25 variant | Authors: | Pornillos, O, Sanchez, J.G, Okreglicka, K. | Deposit date: | 2013-07-23 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | The tripartite motif coiled-coil is an elongated antiparallel hairpin dimer. Proc.Natl.Acad.Sci.USA, 111, 2014
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4I23
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![BU of 4i23 by Molmil](/molmil-images/mine/4i23) | Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked) | Descriptor: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
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4LV3
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![BU of 4lv3 by Molmil](/molmil-images/mine/4lv3) | AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid | Descriptor: | (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION | Authors: | London, N, Eidam, O, Shoichet, B.K. | Deposit date: | 2013-07-25 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Covalent docking of large libraries for the discovery of chemical probes. Nat.Chem.Biol., 10, 2014
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4LV1
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4LX0
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![BU of 4lx0 by Molmil](/molmil-images/mine/4lx0) | Crystal structure of Myo5b globular tail domain in complex with active Rab11a | Descriptor: | BERYLLIUM TRIFLUORIDE ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A. | Deposit date: | 2013-07-29 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis of myosin V Rab GTPase-dependent cargo recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4IAK
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4IAY
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4M18
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![BU of 4m18 by Molmil](/molmil-images/mine/4m18) | Crystal Structure of Surfactant Protein-D D325A/R343V mutant in complex with trimannose (Man-a1,2Man-a1,2Man) | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | Authors: | Goh, B.C, Rynkiewicz, M.J, Cafarella, T.R, White, M.R, Hartshorn, K.L, Allen, K, Crouch, E.C, Calin, O, Seeberger, P.H, Schulten, K, Seaton, B.A. | Deposit date: | 2013-08-02 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.203 Å) | Cite: | Molecular mechanisms of inhibition of influenza by surfactant protein d revealed by large-scale molecular dynamics simulation. Biochemistry, 52, 2013
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