2KEQ
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![BU of 2keq by Molmil](/molmil-images/mine/2keq) | Solution structure of DnaE intein from Nostoc punctiforme | Descriptor: | DNA polymerase III alpha subunit, Nucleic acid binding OB-fold tRNA/helicase-type | Authors: | Oeemig, J.S, Aranko, A.S, Djupsj, J.B, Iwai, H. | Deposit date: | 2009-02-02 | Release date: | 2009-05-19 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of DnaE intein from Nostoc punctiforme: structural basis for the design of a new split intein suitable for site-specific chemical modification. Febs Lett., 583, 2009
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2KV2
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3UC0
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![BU of 3uc0 by Molmil](/molmil-images/mine/3uc0) | Crystal structure of domain I of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2 | Descriptor: | GLYCEROL, Heavy chain, monoclonal antibody 5H2, ... | Authors: | Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A. | Deposit date: | 2011-10-25 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus. Embo J., 31, 2012
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3UCW
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![BU of 3ucw by Molmil](/molmil-images/mine/3ucw) | Structure of MG2+ bound N-Terminal domain of Calmodulin | Descriptor: | Calmodulin, MAGNESIUM ION | Authors: | Senguen, F.T, Grabarek, Z. | Deposit date: | 2011-10-27 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | X-ray Structures of Magnesium and Manganese Complexes with the N-Terminal Domain of Calmodulin: Insights into the Mechanism and Specificity of Metal Ion Binding to an EF-Hand. Biochemistry, 51, 2012
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1VFA
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3UDE
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![BU of 3ude by Molmil](/molmil-images/mine/3ude) | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | Authors: | Shaw, G, Shi, G, Ji, X. | Deposit date: | 2011-10-28 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties. Bioorg.Med.Chem., 20, 2012
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5JYV
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5K05
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![BU of 5k05 by Molmil](/molmil-images/mine/5k05) | Crystal Structure of COMT in complex with 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole | Descriptor: | 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole, Catechol O-methyltransferase, SULFATE ION | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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3UDP
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![BU of 3udp by Molmil](/molmil-images/mine/3udp) | Crystal Structure of BACE with Compound 12 | Descriptor: | (4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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5K0F
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![BU of 5k0f by Molmil](/molmil-images/mine/5k0f) | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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5K0U
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![BU of 5k0u by Molmil](/molmil-images/mine/5k0u) | CryoEM structure of the full virion of a human rhinovirus C | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Liu, Y, Hill, M.G, Klose, T, Chen, Z, Watters, K.E, Jiang, W, Palmenberg, A.C, Rossmann, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Atomic structure of a rhinovirus C, a virus species linked to severe childhood asthma. Proc.Natl.Acad.Sci.USA, 113, 2016
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3UF4
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3UJ0
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![BU of 3uj0 by Molmil](/molmil-images/mine/3uj0) | Crystal structure of the inositol 1,4,5-trisphosphate receptor with ligand bound form. | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | Authors: | Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P. | Deposit date: | 2011-11-07 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural and functional conservation of key domains in InsP3 and ryanodine receptors. Nature, 483, 2012
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1WCY
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![BU of 1wcy by Molmil](/molmil-images/mine/1wcy) | Crystal Structure Of Human Dipeptidyl Peptidase IV (DPPIV) Complex With Diprotin A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, ... | Authors: | Hiramatsu, H, Yamamoto, A, Kyono, K, Higashiyama, Y, Fukushima, C, Shima, H, Sugiyama, S, Inaka, K, Shimizu, R. | Deposit date: | 2004-05-07 | Release date: | 2005-05-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of human dipeptidyl peptidase IV (DPPIV) complex with diprotin A Biol.Chem., 385, 2004
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5KCS
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![BU of 5kcs by Molmil](/molmil-images/mine/5kcs) | Cryo-EM structure of the Escherichia coli 70S ribosome in complex with antibiotic Evernimycin, mRNA, TetM and P-site tRNA at 3.9A resolution | Descriptor: | (2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'R,7aS,7a'S)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Arenz, S, Juette, M.F, Graf, M, Nguyen, F, Huter, P, Polikanov, Y.S, Blanchard, S.C, Wilson, D.N. | Deposit date: | 2016-06-06 | Release date: | 2016-08-17 | Last modified: | 2019-12-25 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structures of the orthosomycin antibiotics avilamycin and evernimicin in complex with the bacterial 70S ribosome. Proc.Natl.Acad.Sci.USA, 113, 2016
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3ULH
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5K58
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3UM5
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![BU of 3um5 by Molmil](/molmil-images/mine/3um5) | Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Kamchonwongpaisan, S, Chitnumsub, P, Yuthavong, Y. | Deposit date: | 2011-11-12 | Release date: | 2012-07-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil. Antimicrob.Agents Chemother., 56, 2012
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3UNL
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![BU of 3unl by Molmil](/molmil-images/mine/3unl) | Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni | Descriptor: | SULFATE ION, Steroid Delta-isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2011-11-15 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni To be Published
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3UMF
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3UCY
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3UDG
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![BU of 3udg by Molmil](/molmil-images/mine/3udg) | Structure of Deinococcus radiodurans SSB bound to ssDNA | Descriptor: | 5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', Single-stranded DNA-binding protein, THYMIDINE-5'-PHOSPHATE | Authors: | George, N.P, Ngo, K.V, Chitteni-Patu, S, Norais, C.A, Battista, J.R, Cox, M.M, Keck, J.L. | Deposit date: | 2011-10-28 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and Cellular Dynamics of Deinococcus radiodurans Single-stranded DNA (ssDNA)-binding Protein (SSB)-DNA Complexes. J.Biol.Chem., 287, 2012
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2CVR
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![BU of 2cvr by Molmil](/molmil-images/mine/2cvr) | NMR solution structure of sso7d mutant, K12L, 12 conformers | Descriptor: | DNA-binding protein 7a | Authors: | Arosio, I, Recca, T, Consonni, R, Alberti, E, Fusi, P, Zetta, L. | Deposit date: | 2005-06-13 | Release date: | 2006-08-29 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural Determinants Responsible for the Thermostability of Sso7d
and its Single Point Mutants To be Published
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3UDW
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![BU of 3udw by Molmil](/molmil-images/mine/3udw) | Crystal structure of the immunoreceptor TIGIT in complex with Poliovirus receptor (PVR/CD155/necl-5) D1 domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor, T cell immunoreceptor with Ig and ITIM domains | Authors: | Rouge, L, Stengel, K.F, Yin, J.P, Bazan, F.J, Wiesmann, C. | Deposit date: | 2011-10-28 | Release date: | 2012-03-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.903 Å) | Cite: | Structure of TIGIT immunoreceptor bound to poliovirus receptor reveals a cell-cell adhesion and signaling mechanism that requires cis-trans receptor clustering. Proc.Natl.Acad.Sci.USA, 109, 2012
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5XF8
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![BU of 5xf8 by Molmil](/molmil-images/mine/5xf8) | Cryo-EM structure of the Cdt1-MCM2-7 complex in AMPPNP state | Descriptor: | Cell division cycle protein CDT1, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... | Authors: | Zhai, Y, Cheng, E, Wu, H, Li, N, Yung, P.Y, Gao, N, Tye, B.K. | Deposit date: | 2017-04-09 | Release date: | 2017-05-03 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Open-ringed structure of the Cdt1-Mcm2-7 complex as a precursor of the MCM double hexamer Nat. Struct. Mol. Biol., 24, 2017
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