6T1G
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![BU of 6t1g by Molmil](/molmil-images/mine/6t1g) | Streptavidin variants harbouring an artificial organocatalyst based cofactor | Descriptor: | 1,2-ETHANEDIOL, 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, Streptavidin | Authors: | Lechner, H, Hocker, B. | Deposit date: | 2019-10-04 | Release date: | 2020-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*. Chembiochem, 22, 2021
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6HBA
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![BU of 6hba by Molmil](/molmil-images/mine/6hba) | Crystal Structure of the small subunit-like domain 1 of CcmM from Synechococcus elongatus (strain PCC 7942), thiol-oxidized form | Descriptor: | Carbon dioxide concentrating mechanism protein CcmM | Authors: | Wang, H, Yan, X, Aigner, H, Bracher, A, Nguyen, N.D, Hee, W.Y, Long, B.M, Price, G.D, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2018-08-10 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Rubisco condensate formation by CcmM in beta-carboxysome biogenesis. Nature, 566, 2019
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4Z65
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![BU of 4z65 by Molmil](/molmil-images/mine/4z65) | Carboxypeptidase B with Sulphamoil Arginine | Descriptor: | Carboxypeptidase B, N~2~-sulfamoyl-L-arginine, ZINC ION | Authors: | Timofeev, V.I, Akparov, V.K, Kuranova, I.P. | Deposit date: | 2015-04-03 | Release date: | 2015-10-14 | Last modified: | 2015-10-28 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure of the complex of carboxypeptidase B and N-sulfamoyl-L-arginine. Acta Crystallogr.,Sect.F, 71, 2015
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5HLO
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![BU of 5hlo by Molmil](/molmil-images/mine/5hlo) | Crystal structure of calcium and zinc-bound human S100A8 in space group C2221 | Descriptor: | ACETATE ION, CACODYLATE ION, CALCIUM ION, ... | Authors: | Lin, H, Andersen, G.R, Yatime, L. | Deposit date: | 2016-01-15 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human S100A8 in complex with zinc and calcium. Bmc Struct.Biol., 16, 2016
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6HFA
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![BU of 6hfa by Molmil](/molmil-images/mine/6hfa) | Crystal structure of hDM2 in complex with a C-terminal triurea capped peptide chimera foldamer. | Descriptor: | E3 ubiquitin-protein ligase Mdm2, LM266, 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea | Authors: | Buratto, J, Mauran, L, Goudreau, S, Fribourg, S, Guichard, G. | Deposit date: | 2018-08-21 | Release date: | 2020-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 2020
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5NJM
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![BU of 5njm by Molmil](/molmil-images/mine/5njm) | Lysozyme room-temperature structure determined by serial millisecond crystallography | Descriptor: | Lysozyme C | Authors: | Weinert, T, Vera, L, Marsh, M, James, D, Gashi, D, Nogly, P, Jaeger, K, Standfuss, J. | Deposit date: | 2017-03-29 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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5NJI
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![BU of 5nji by Molmil](/molmil-images/mine/5nji) | Structure of the dehydratase domain of PpsC from Mycobacterium tuberculosis in complex with C12:1-CoA | Descriptor: | Phthiocerol/phenolphthiocerol synthesis polyketide synthase type I PpsC, ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-dodec-2-enethioate | Authors: | Gavalda, S, Faille, A, Mourey, L, Pedelacq, J.D. | Deposit date: | 2017-03-28 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases. J. Mol. Biol., 429, 2017
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6HIL
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5NLA
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![BU of 5nla by Molmil](/molmil-images/mine/5nla) | |
4ZE8
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![BU of 4ze8 by Molmil](/molmil-images/mine/4ze8) | PBP AccA from A. tumefaciens C58 | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | Authors: | El Sahili, A, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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6HJ4
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![BU of 6hj4 by Molmil](/molmil-images/mine/6hj4) | Crystal structure of Whitewater Arroyo virus GP1 glycoprotein at pH 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Pre-glycoprotein polyprotein GP complex | Authors: | Pryce, R, Ng, W.M, Zeltina, A, Watanabe, Y, El Omari, K, Wagner, A, Bowden, T.A. | Deposit date: | 2018-08-31 | Release date: | 2018-10-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structure-Based Classification Defines the Discrete Conformational Classes Adopted by the Arenaviral GP1. J. Virol., 93, 2019
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6TOJ
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![BU of 6toj by Molmil](/molmil-images/mine/6toj) | Crystal structure of human BCL6 BTB domain in complex with compound 17a | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2019-12-11 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
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6TOQ
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5NM1
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![BU of 5nm1 by Molmil](/molmil-images/mine/5nm1) | Chicken GRIFIN (crystallisation pH: 6.2) | Descriptor: | Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Ruiz, F.M, Romero, A. | Deposit date: | 2017-04-05 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Chicken GRIFIN: Structural characterization in crystals and in solution. Biochimie, 146, 2018
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4ZEI
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![BU of 4zei by Molmil](/molmil-images/mine/4zei) | |
6TQL
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![BU of 6tql by Molmil](/molmil-images/mine/6tql) | Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | Deposit date: | 2019-12-16 | Release date: | 2020-11-04 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer. Embo J., 39, 2020
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5NMU
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![BU of 5nmu by Molmil](/molmil-images/mine/5nmu) | Structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria | Descriptor: | CBS-CP12, CHLORIDE ION | Authors: | Hackenberg, C, Hakanpaa, J, Antonyuk, S.V, Dittmann, E, Lamzin, V.S. | Deposit date: | 2017-04-07 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6T37
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![BU of 6t37 by Molmil](/molmil-images/mine/6t37) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | Deposit date: | 2019-10-10 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.079 Å) | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
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6HP2
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![BU of 6hp2 by Molmil](/molmil-images/mine/6hp2) | Crystal Structure of the O-Methyltransferase from the trans-AT PKS multienzyme C0ZGQ3 of Brevibacillus brevis in complex with S-Adenosyl-L-homocysteine | Descriptor: | Putative polyketide synthase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Jakob, R.P, Felber, P, Demyanenko, Y, Delbart, F, Maier, T. | Deposit date: | 2018-09-19 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Analysis of an O-Methyltransferase from the trans-AT PKS biosynthesis pathway To Be Published
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5HCM
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6TF8
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![BU of 6tf8 by Molmil](/molmil-images/mine/6tf8) | |
5NEI
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![BU of 5nei by Molmil](/molmil-images/mine/5nei) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 | Descriptor: | 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-03-10 | Release date: | 2018-02-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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5HDZ
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7B3W
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![BU of 7b3w by Molmil](/molmil-images/mine/7b3w) | Crystal structure of c-MET bound by compound 4 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor | Authors: | Collie, G.W. | Deposit date: | 2020-12-01 | Release date: | 2020-12-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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6HX1
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![BU of 6hx1 by Molmil](/molmil-images/mine/6hx1) | IRE1 ALPHA IN COMPLEX WITH imidazo[1,2-b]pyridazin-8-amine compound 2 | Descriptor: | 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Augustin, M.A, Krapp, S, Bayliss, R, Collins, I. | Deposit date: | 2018-10-15 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease. J.Med.Chem., 62, 2019
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