8U1C
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8Q52
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![BU of 8q52 by Molmil](/molmil-images/mine/8q52) | A PBP-like protein built from fragments of different folds | Descriptor: | Leucine-specific-binding protein,Chemotaxis protein CheY, SULFATE ION | Authors: | Shanmugaratnam, S, Toledo-Patino, S, Goetz, S.K, Farias-Rico, J.A, Hocker, B. | Deposit date: | 2023-08-08 | Release date: | 2024-04-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular handcraft of a well-folded protein chimera. Febs Lett., 598, 2024
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6PLJ
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![BU of 6plj by Molmil](/molmil-images/mine/6plj) | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | Authors: | Carbone, V, Schofield, L, Sutherland-Smith, A, Ronimus, R. | Deposit date: | 2019-07-01 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) To Be Published
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5NPK
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![BU of 5npk by Molmil](/molmil-images/mine/5npk) | 1.98A STRUCTURE OF THIOPHENE1 WITH S.AUREUS DNA GYRASE AND DNA | Descriptor: | CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A, ... | Authors: | Bax, B.D, Chan, P.F, Stavenger, R.A. | Deposit date: | 2017-04-17 | Release date: | 2017-07-12 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5K09
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![BU of 5k09 by Molmil](/molmil-images/mine/5k09) | Crystal Structure of COMT in complex with a thiazole ligand | Descriptor: | 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, PHOSPHATE 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 (2.7 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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8R9O
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![BU of 8r9o by Molmil](/molmil-images/mine/8r9o) | A soakable crystal form of human CDK7 in complex with AMP-PNP | Descriptor: | Cyclin-dependent kinase 7, ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2023-11-30 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 2024
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8R9U
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![BU of 8r9u by Molmil](/molmil-images/mine/8r9u) | A soakable crystal form of human CDK7 in complex with AMP-PNP | Descriptor: | 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile, Cyclin-dependent kinase 7 | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2023-11-30 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 2024
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8E31
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![BU of 8e31 by Molmil](/molmil-images/mine/8e31) | Purification of Enterovirus A71, strain 4643, WT capsid | Descriptor: | Genome polyprotein, VP1, VP3 | Authors: | Catching, A, Capponi, S, Andino, R. | Deposit date: | 2022-08-16 | Release date: | 2023-08-30 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | A tradeoff between enterovirus A71 particle stability and cell entry. Nat Commun, 14, 2023
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6MJV
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![BU of 6mjv by Molmil](/molmil-images/mine/6mjv) | A consensus human beta defensin | Descriptor: | Human beta-defensin | Authors: | Amero, C, Villegas-Moreno, J, Rodriguez, A, Norton, R.S, Corzo, G. | Deposit date: | 2018-09-22 | Release date: | 2019-08-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Antimicrobial activity and structure of a consensus human beta-defensin and its comparison to a novel putative hBD10. Proteins, 88, 2020
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5MEM
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![BU of 5mem by Molmil](/molmil-images/mine/5mem) | A potent fluorescent inhibitor of glycogen phosphorylase as a catalytic site probe. | Descriptor: | 2-[[1-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{H}-acridin-9-one, Glycogen phosphorylase, muscle form, ... | Authors: | Mamais, M, Chrysina, E.D. | Deposit date: | 2016-11-15 | Release date: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A New Potent Inhibitor of Glycogen Phosphorylase Reveals the Basicity of the Catalytic Site. Chemistry, 23, 2017
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1HBV
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1F1G
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![BU of 1f1g by Molmil](/molmil-images/mine/1f1g) | Crystal structure of yeast cuznsod exposed to nitric oxide | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, PHOSPHATE ION, ... | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-12 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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5LHY
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![BU of 5lhy by Molmil](/molmil-images/mine/5lhy) | PB3 Domain of Human PLK4 (apo) | Descriptor: | Serine/threonine-protein kinase PLK4 | Authors: | Cottee, M.A, Johnson, S, Lea, S.M. | Deposit date: | 2016-07-13 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies. Biol Open, 6, 2017
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8OME
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![BU of 8ome by Molmil](/molmil-images/mine/8ome) | Crystal structure of hKHK-A in complex with compound-4 | Descriptor: | Ketohexokinase, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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5MZ3
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![BU of 5mz3 by Molmil](/molmil-images/mine/5mz3) | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | Authors: | Cowan-Jacob, S.W, Scheufler, C. | Deposit date: | 2017-01-30 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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6T63
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![BU of 6t63 by Molmil](/molmil-images/mine/6t63) | A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH6 | Descriptor: | Gag polyprotein | Authors: | Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M. | Deposit date: | 2019-10-17 | Release date: | 2020-01-15 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly. Plos Pathog., 16, 2020
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6FLZ
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![BU of 6flz by Molmil](/molmil-images/mine/6flz) | Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with methyl-mannose. | Descriptor: | CITRIC ACID, Jacalin-like lectin, methyl alpha-D-mannopyranoside | Authors: | Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P. | Deposit date: | 2018-01-29 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem. Sci Rep, 8, 2018
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6FLW
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![BU of 6flw by Molmil](/molmil-images/mine/6flw) | Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus. | Descriptor: | CITRIC ACID, Jacalin-like lectin | Authors: | Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P. | Deposit date: | 2018-01-29 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem. Sci Rep, 8, 2018
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1G1N
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![BU of 1g1n by Molmil](/molmil-images/mine/1g1n) | NICKED DECAMER DNA WITH PEG6 TETHER, NMR, 30 STRUCTURES | Descriptor: | 5'-D(*GP*TP*CP*GP*C)-3', 5'-D(P*GP*CP*GP*AP*CP*AP*AP*CP*GP*C)-3', 5'-D(P*GP*CP*GP*TP*T)-3', ... | Authors: | Bocian, W, Kozerski, L, Mazurek, A.P, Kawecki, R. | Deposit date: | 2000-10-13 | Release date: | 2001-03-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A nicked duplex decamer DNA with a PEG(6) tether. Nucleic Acids Res., 29, 2001
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8R9B
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![BU of 8r9b by Molmil](/molmil-images/mine/8r9b) | A soakable crystal form of human CDK7 in complex with AMP-PNP | Descriptor: | Cyclin-dependent kinase 7, GLYCEROL, MAGNESIUM ION, ... | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2023-11-30 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 2024
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5JLG
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![BU of 5jlg by Molmil](/molmil-images/mine/5jlg) | The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and compound I, a piano-stool organometallic Ru(II) arene compound containing an O,S-chelating ligand | Descriptor: | DIMETHYL SULFOXIDE, RUTHENIUM ION, Ribonuclease pancreatic, ... | Authors: | Ferraro, G, Merlino, A. | Deposit date: | 2016-04-27 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Unusual mode of protein binding by a cytotoxic pi-arene ruthenium(ii) piano-stool compound containing an O,S-chelating ligand. Dalton Trans, 45, 2016
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6T61
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![BU of 6t61 by Molmil](/molmil-images/mine/6t61) | A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH8 | Descriptor: | Gag polyprotein | Authors: | Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M. | Deposit date: | 2019-10-17 | Release date: | 2020-01-15 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly. Plos Pathog., 16, 2020
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6FKX
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![BU of 6fkx by Molmil](/molmil-images/mine/6fkx) | Crystal structure of an acetyl xylan esterase from a desert metagenome | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl xylan esterase, FORMIC ACID, ... | Authors: | Adesioye, F.A, Makhalanyane, T.P, Vikram, S, Sewell, B.T, Schubert, W, Cowan, D.A. | Deposit date: | 2018-01-24 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural Characterization and Directed Evolution of a Novel Acetyl Xylan Esterase Reveals Thermostability Determinants of the Carbohydrate Esterase 7 Family. Appl. Environ. Microbiol., 84, 2018
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5KKO
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![BU of 5kko by Molmil](/molmil-images/mine/5kko) | A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein | Descriptor: | Uncharacterised protein | Authors: | Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-06-22 | Release date: | 2016-09-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein To Be Published
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8PW7
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![BU of 8pw7 by Molmil](/molmil-images/mine/8pw7) | A respirasome from murine liver | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Vercellino, I, Sazanov, L.A. | Deposit date: | 2023-07-19 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 2024
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