7ZZY
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![BU of 7zzy by Molmil](/molmil-images/mine/7zzy) | Solution BcsD structure | Descriptor: | Cellulose biosynthesis protein | Authors: | Krasteva, P.V, Abidi, W, Decossas, M. | Deposit date: | 2022-05-26 | Release date: | 2022-12-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Bacterial crystalline cellulose secretion via a supramolecular BcsHD scaffold. Sci Adv, 8, 2022
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7ZZQ
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6S5V
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![BU of 6s5v by Molmil](/molmil-images/mine/6s5v) | Crystal structure of the Cap-Midlink region of the H5N1 Influenza A virus polymerase in complex with a Cap-domain binding analogue | Descriptor: | (1~{S},2~{S},3~{S},6~{R})-2-[[2-[5,7-bis(fluoranyl)-1~{H}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid, GLYCEROL, POTASSIUM ION, ... | Authors: | Keown, J.R, Fodor, E, Grimes, J.M. | Deposit date: | 2019-07-02 | Release date: | 2019-11-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Novel Indoles Targeting the Influenza PB2 Cap Binding Region. J.Med.Chem., 62, 2019
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1A42
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![BU of 1a42 by Molmil](/molmil-images/mine/1a42) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE | Descriptor: | (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Boriack-Sjodin, P.A, Christianson, D.W. | Deposit date: | 1998-02-10 | Release date: | 1999-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci., 7, 1998
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8C7K
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8CAV
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![BU of 8cav by Molmil](/molmil-images/mine/8cav) | Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CuvA, MAGNESIUM ION, ... | Authors: | Sigurdsson, A, Martins, B.M, Duettmann, S.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemannter, M, Knittel, C.H, Schnegotyzki, R, Schmid, B, Kosol, S, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | Deposit date: | 2023-01-24 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL. Angew.Chem.Int.Ed.Engl., 62, 2023
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5KZ8
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![BU of 5kz8 by Molmil](/molmil-images/mine/5kz8) | Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one | Descriptor: | 5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2 | Authors: | Su, H.P, Munshi, S.K. | Deposit date: | 2016-07-23 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5KZ7
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![BU of 5kz7 by Molmil](/molmil-images/mine/5kz7) | Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one | Descriptor: | 7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2 | Authors: | Su, H.P, Munshi, S.K. | Deposit date: | 2016-07-23 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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7NK0
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![BU of 7nk0 by Molmil](/molmil-images/mine/7nk0) | Structure of the BIR1 domain of cIAP2 | Descriptor: | Baculoviral IAP repeat-containing protein 3, ZINC ION | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Mirdita, D. | Deposit date: | 2021-02-17 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure-based identification of a new IAP-targeting compound that induces cancer cell death inducing NF-kappa B pathway. Comput Struct Biotechnol J, 19, 2021
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5MEC
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5MEA
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![BU of 5mea by Molmil](/molmil-images/mine/5mea) | Crystal structure of yeast Cdt1 (N terminal and middle domain), form 2. | Descriptor: | Cell division cycle protein CDT1, GLYCEROL, SULFATE ION | Authors: | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | Deposit date: | 2016-11-14 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5MEB
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![BU of 5meb by Molmil](/molmil-images/mine/5meb) | Crystal structure of yeast Cdt1 C-terminal domain | Descriptor: | Cell division cycle protein CDT1, SULFATE ION | Authors: | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | Deposit date: | 2016-11-14 | Release date: | 2017-05-17 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5ME9
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![BU of 5me9 by Molmil](/molmil-images/mine/5me9) | Crystal structure of yeast Cdt1 (N terminal and middle domain), form 1. | Descriptor: | Cell division cycle protein CDT1, GLYCEROL, SULFATE ION | Authors: | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | Deposit date: | 2016-11-14 | Release date: | 2017-05-17 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5HOI
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3JSC
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![BU of 3jsc by Molmil](/molmil-images/mine/3jsc) | CcdBVfi-FormI-pH7.0 | Descriptor: | CcdB, SULFATE ION | Authors: | De Jonge, N, Buts, L, Loris, R. | Deposit date: | 2009-09-10 | Release date: | 2009-12-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and thermodynamic characterization of vibrio fischeri CCDB J.Biol.Chem., 285, 2010
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5CEI
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![BU of 5cei by Molmil](/molmil-images/mine/5cei) | Crystal structure of CDK8:Cyclin C complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ... | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T. | Deposit date: | 2015-07-06 | Release date: | 2016-02-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells. Acs Med.Chem.Lett., 7, 2016
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2X24
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![BU of 2x24 by Molmil](/molmil-images/mine/2x24) | bovine ACC2 CT domain in complex with inhibitor | Descriptor: | ACETYL-COA CARBOXYLASE, TERT-BUTYL [(TRANS-4-{[({2-[4-(AMINOMETHYL)PHENYL]QUINOLIN-4-YL}CARBONYL)AMINO]METHYL}CYCLOHEXYL)METHYL]CARBAMATE | Authors: | Oster, L, Folmer, R, Blaho, S, Wiberg, F, Hallberg, K. | Deposit date: | 2010-01-11 | Release date: | 2011-01-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of Small Molecule Inhibitors of Acetyl-Coa Carboxylase 1 and 2 Showing Reduction of Hepatic Malonyl-Coa Levels in Vivo in Obese Zucker Rats. Bioorg.Med.Chem., 19, 2011
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5CW7
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6GTO
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![BU of 6gto by Molmil](/molmil-images/mine/6gto) | Structure of the AtaR antitoxin | Descriptor: | DUF1778 domain-containing protein, SODIUM ION | Authors: | Garcia-Pino, A, Jurenas, D. | Deposit date: | 2018-06-18 | Release date: | 2019-03-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system. Nat. Chem. Biol., 15, 2019
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6GTS
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![BU of 6gts by Molmil](/molmil-images/mine/6gts) | Structure of the AtaT-AtaR complex bound DNA | Descriptor: | Acetyltransferase, DNA, DUF1778 domain-containing protein | Authors: | Garcia-Pino, A, Jurenas, D. | Deposit date: | 2018-06-19 | Release date: | 2019-03-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.357 Å) | Cite: | Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system. Nat. Chem. Biol., 15, 2019
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5CZE
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5CZF
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6GTQ
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6GTR
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6GTP
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![BU of 6gtp by Molmil](/molmil-images/mine/6gtp) | Structure of the AtaT Y144F mutant toxin | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Garcia-Pino, A, Jurenas, D. | Deposit date: | 2018-06-18 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system. Nat. Chem. Biol., 15, 2019
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