3S5C
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![BU of 3s5c by Molmil](/molmil-images/mine/3s5c) | Crystal Structure of a Hexachlorocyclohexane dehydrochlorinase (LinA) Type2 | Descriptor: | LinA | Authors: | Kukshal, V, Macwan, A.S, Kumar, A, Ramachandran, R. | Deposit date: | 2011-05-23 | Release date: | 2012-05-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of the hexachlorocyclohexane dehydrochlorinase (LinA-type2): mutational analysis, thermostability and enantioselectivity Plos One, 7, 2012
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6MIO
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![BU of 6mio by Molmil](/molmil-images/mine/6mio) | Crystal structure of Taf14 YEATS domain in complex with histone H3K9pr | Descriptor: | Histone H3K9pr, Transcription initiation factor TFIID subunit 14 | Authors: | Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G. | Deposit date: | 2018-09-19 | Release date: | 2018-11-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain. Nat Commun, 9, 2018
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3SBD
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![BU of 3sbd by Molmil](/molmil-images/mine/3sbd) | Crystal structure of RAC1 P29S mutant | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-06-03 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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6MKQ
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![BU of 6mkq by Molmil](/molmil-images/mine/6mkq) | Carbapenemase VCC-1 bound to avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Mark, B.L, Vadlamani, G. | Deposit date: | 2018-09-26 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam. Antimicrob. Agents Chemother., 63, 2019
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6ML6
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![BU of 6ml6 by Molmil](/molmil-images/mine/6ml6) | ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpA 5mC Modification) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*(5CM)P*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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3SAI
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![BU of 3sai by Molmil](/molmil-images/mine/3sai) | |
3SXE
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![BU of 3sxe by Molmil](/molmil-images/mine/3sxe) | Crystal structure of AAAA+UDP+Gal with Glycerol as the cryoprotectant | Descriptor: | Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Johal, A.R, Evans, S.V. | Deposit date: | 2011-07-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
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6MP0
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![BU of 6mp0 by Molmil](/molmil-images/mine/6mp0) | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with the TRP1-M9 peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TRP1-M9 peptide, Beta-2-microglobulin,H-2 class I histocompatibility antigen, ... | Authors: | Clancy-Thompson, E, Devlin, C.A, Birnbaum, M.E, Dougan, S.K. | Deposit date: | 2018-10-05 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Altered Binding of Tumor Antigenic Peptides to MHC Class I Affects CD8+T Cell-Effector Responses. Cancer Immunol Res, 6, 2018
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6YZE
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![BU of 6yze by Molmil](/molmil-images/mine/6yze) | Zinc metalloprotease ProA from native source | Descriptor: | ZINC ION, Zinc metalloproteinase | Authors: | Schmelz, S, Blankenfeldt, W. | Deposit date: | 2020-05-06 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation. Cell.Microbiol., 23, 2021
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3STE
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![BU of 3ste by Molmil](/molmil-images/mine/3ste) | Crystal structure of a mutant (Q202A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, SODIUM ION | Authors: | Allison, T.M, Jameson, G.B, Gloyne, B.J, Parker, E.J. | Deposit date: | 2011-07-09 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | An Extended (beta)7(alpha)7 Substrate-Binding Loop Is Essential for Efficient Catalysis by 3-Deoxy-D-manno-Octulosonate 8-Phosphate Synthase Biochemistry, 50, 2011
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6MYC
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3PY9
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![BU of 3py9 by Molmil](/molmil-images/mine/3py9) | X-ray structural studies of the entire extra-cellular region of the Ser/Thr kinase PrkC from Staphylococcus aureus | Descriptor: | EUROPIUM ION, Protein kinase | Authors: | Ruggiero, A, Squeglia, F, Marasco, D, Marchetti, R, Molinaro, A, Berisio, R. | Deposit date: | 2010-12-12 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structural studies of the entire extracellular region of the serine/threonine kinase PrkC from Staphylococcus aureus. Biochem.J., 435, 2011
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3POG
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6XB2
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![BU of 6xb2 by Molmil](/molmil-images/mine/6xb2) | Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design | Descriptor: | 1-ETHYL-PYRROLIDINE-2,5-DIONE, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Kneller, D.W, Kovalevsky, A, Coates, L. | Deposit date: | 2020-06-05 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design. Iucrj, 7, 2020
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6MH3
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![BU of 6mh3 by Molmil](/molmil-images/mine/6mh3) | The crystal structure of Zika virus NS3 helicase domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Oliva, G, Mesquita, N, Godoy, A. | Deposit date: | 2018-09-17 | Release date: | 2018-10-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The crystal structure of Zika virus NS3 helicase domain To Be Published
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6BWP
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![BU of 6bwp by Molmil](/molmil-images/mine/6bwp) | Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3 | Descriptor: | 1H-1,2,3-triazole-5-thiol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Musayev, F.N, Safo, R.M, Safo, M.K. | Deposit date: | 2017-12-15 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells. Mol. Pharm., 15, 2018
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3PMW
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![BU of 3pmw by Molmil](/molmil-images/mine/3pmw) | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | DIMETHYL SULFOXIDE, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Maclean, J.K.F, Jamieson, C, Brown, C.I, Campbell, R.A, Gillen, K.J, Gillespie, J, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | Deposit date: | 2010-11-18 | Release date: | 2011-01-12 | Last modified: | 2023-05-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure based evolution of a novel series of positive modulators of the AMPA receptor. Bioorg.Med.Chem.Lett., 21, 2011
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6XE7
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![BU of 6xe7 by Molmil](/molmil-images/mine/6xe7) | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 2-((2-formyl-3-hydroxyphenoxy)methyl)nicotinate | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Pagare, P.P, Safo, M.K, Musayev, F.N. | Deposit date: | 2020-06-12 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents. J.Med.Chem., 63, 2020
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6NOC
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![BU of 6noc by Molmil](/molmil-images/mine/6noc) | Crystal structure of FBF-2 repeat 5 mutant (C363A, R364Y) in complex with 8-nt RNA | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3') | Authors: | McCann, K, Wang, Y, Qiu, C, Hall, T.M.T. | Deposit date: | 2019-01-16 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.849 Å) | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo . Elife, 8, 2019
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6NOD
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![BU of 6nod by Molmil](/molmil-images/mine/6nod) | Crystal structure of C. elegans PUF-8 in complex with RNA | Descriptor: | PUF (Pumilio/FBF) domain-containing, RNA (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3') | Authors: | Wang, Y, McCann, K.L, Qiu, C, Hall, T.M.T. | Deposit date: | 2019-01-16 | Release date: | 2019-01-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.547 Å) | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo . Elife, 8, 2019
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6XJK
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![BU of 6xjk by Molmil](/molmil-images/mine/6xjk) | JAK2 JH2 in complex with JAK067 | Descriptor: | 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2020-06-24 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.023508 Å) | Cite: | Explicit Representation of Cation-pi Interactions in Force Fields with 1/r4 Nonbonded Terms. J Chem Theory Comput, 16, 2020
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6N9P
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6XQT
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![BU of 6xqt by Molmil](/molmil-images/mine/6xqt) | Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kneller, D.W, Kovalevsky, A, Coates, L. | Deposit date: | 2020-07-10 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals. Structure, 28, 2020
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3PMS
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4WSY
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![BU of 4wsy by Molmil](/molmil-images/mine/4wsy) | |