7XKX
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![BU of 7xkx by Molmil](/molmil-images/mine/7xkx) | Crystal structure of Tpn2 | Descriptor: | SQHop_cyclase_C domain-containing protein | Authors: | Chang, C.Y, Stowell, E.A, Lin, Y.L, Ehrenberger, M.A, Rudolf, J.D. | Deposit date: | 2022-04-20 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structure-guided product determination of the bacterial type II diterpene synthase Tpn2. Commun Chem, 5, 2022
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4JVE
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![BU of 4jve by Molmil](/molmil-images/mine/4jve) | Co-crystal structure of MDM2 with inhibitor (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid | Descriptor: | (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid, E3 ubiquitin-protein ligase Mdm2 | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | Deposit date: | 2013-03-25 | Release date: | 2013-05-01 | Last modified: | 2013-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors. J.Med.Chem., 56, 2013
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2NBT
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![BU of 2nbt by Molmil](/molmil-images/mine/2nbt) | NEURONAL BUNGAROTOXIN, NMR, 10 STRUCTURES | Descriptor: | NEURONAL BUNGAROTOXIN | Authors: | Oswald, R.E, Sutcliffe, M.J, Bamberger, M, Loring, R.H, Braswell, E, Dobson, C.M. | Deposit date: | 1997-10-29 | Release date: | 1998-03-11 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Solution structure of neuronal bungarotoxin determined by two-dimensional NMR spectroscopy: calculation of tertiary structure using systematic homologous model building, dynamical simulated annealing, and restrained molecular dynamics. Biochemistry, 31, 1992
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7ZZI
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![BU of 7zzi by Molmil](/molmil-images/mine/7zzi) | Plasmodium falciparum hexokinase complexed with glucose and citrate | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Phosphotransferase, ... | Authors: | Fritz-Wolf, K, Dillenberger, M, Rahlfs, S, Becker, K. | Deposit date: | 2022-05-25 | Release date: | 2023-08-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Analysis of Plasmodium falciparum Hexokinase Provides Novel Information about Catalysis Due to a Plasmodium -Specific Insertion. Int J Mol Sci, 24, 2023
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4EWI
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![BU of 4ewi by Molmil](/molmil-images/mine/4ewi) | Crystal structure of the NLRP4 Pyrin domain | Descriptor: | CHLORIDE ION, NACHT, LRR and PYD domains-containing protein 4, ... | Authors: | Eibl, C, Hessenberger, M, Puehringer, S, Page, R, Diederichs, K, Peti, W. | Deposit date: | 2012-04-27 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural and Functional Analysis of the NLRP4 Pyrin Domain. Biochemistry, 51, 2012
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8FOU
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![BU of 8fou by Molmil](/molmil-images/mine/8fou) | Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-tube | Descriptor: | Virion-associated protein | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | Deposit date: | 2023-01-03 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano. Nat Commun, 15, 2024
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8FOY
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![BU of 8foy by Molmil](/molmil-images/mine/8foy) | Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-sheath | Descriptor: | Tail sheath protein | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | Deposit date: | 2023-01-03 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano. Nat Commun, 15, 2024
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8FWB
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![BU of 8fwb by Molmil](/molmil-images/mine/8fwb) | Portal assembly of Agrobacterium phage Milano | Descriptor: | Portal protein, gp7 | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | Deposit date: | 2023-01-20 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano. Commun Biol, 6, 2023
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4N1K
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![BU of 4n1k by Molmil](/molmil-images/mine/4n1k) | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | Descriptor: | NACHT, LRR and PYD domains-containing protein 14 | Authors: | Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. | Deposit date: | 2013-10-04 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions. Acta Crystallogr.,Sect.D, 70, 2014
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2CH5
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![BU of 2ch5 by Molmil](/molmil-images/mine/2ch5) | Crystal structure of human N-acetylglucosamine kinase in complex with N-acetylglucosamine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Weihofen, W.A, Berger, M, Chen, H, Saenger, W, Hinderlich, S. | Deposit date: | 2006-03-13 | Release date: | 2006-09-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation. J.Mol.Biol., 364, 2006
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4N1L
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![BU of 4n1l by Molmil](/molmil-images/mine/4n1l) | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | Descriptor: | NACHT, LRR and PYD domains-containing protein 14 | Authors: | Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. | Deposit date: | 2013-10-04 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions. Acta Crystallogr.,Sect.D, 70, 2014
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5IE1
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![BU of 5ie1 by Molmil](/molmil-images/mine/5ie1) | Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | Descriptor: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | Deposit date: | 2016-02-24 | Release date: | 2016-03-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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4N1J
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![BU of 4n1j by Molmil](/molmil-images/mine/4n1j) | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | Descriptor: | GLYCEROL, NACHT, LRR and PYD domains-containing protein 14 | Authors: | Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. | Deposit date: | 2013-10-04 | Release date: | 2014-07-16 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions. Acta Crystallogr.,Sect.D, 70, 2014
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4CBA
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![BU of 4cba by Molmil](/molmil-images/mine/4cba) | Structural of delta 1-76 CTNNBL1 in space group I222 | Descriptor: | 1,2-ETHANEDIOL, BETA-CATENIN-LIKE PROTEIN 1, SULFATE ION | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | Deposit date: | 2013-10-10 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and mutational analysis reveals that CTNNBL1 binds NLSs in a manner distinct from that of its closest armadillo-relative, karyopherin alpha. Febs Lett., 588, 2014
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2JUY
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![BU of 2juy by Molmil](/molmil-images/mine/2juy) | NMR ensemble of Neopetrosiamide A | Descriptor: | Neopetrosiamide A | Authors: | Austin, P, Williams, D.E, Heller, M, McIntosh, L.P, Andersen, R.J, Roberge, M, Roskelley, C.D. | Deposit date: | 2007-09-05 | Release date: | 2008-08-26 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | NMR ensemble of Neopetrosiamide A To be Published
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4CB8
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![BU of 4cb8 by Molmil](/molmil-images/mine/4cb8) | Structural and mutational analysis reveals that CTNNBL1 binds NLSs in a manner distinct from that of its closest armadillo-relative, karyopherin alpha | Descriptor: | BETA-CATENIN-LIKE PROTEIN 1, SULFATE ION | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | Deposit date: | 2013-10-10 | Release date: | 2013-12-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha FEBS Lett., 588, 2014
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4CB9
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![BU of 4cb9 by Molmil](/molmil-images/mine/4cb9) | Structure of full-length CTNNBL1 in P43212 space group | Descriptor: | BETA-CATENIN-LIKE PROTEIN 1 | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | Deposit date: | 2013-10-10 | Release date: | 2013-12-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha FEBS Lett., 588, 2014
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4H1V
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![BU of 4h1v by Molmil](/molmil-images/mine/4h1v) | GMP-PNP bound dynamin-1-like protein GTPase-GED fusion | Descriptor: | Dynamin-1-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Wenger, J, Klinglmayr, E, Eibl, C, Hessenberger, M, Goettig, P. | Deposit date: | 2012-09-11 | Release date: | 2013-08-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses. Plos One, 8, 2013
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2CH6
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![BU of 2ch6 by Molmil](/molmil-images/mine/2ch6) | Crystal structure of human N-acetylglucosamine kinase in complex with ADP and glucose | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N-ACETYL-D-GLUCOSAMINE KINASE, alpha-D-glucopyranose | Authors: | Weihofen, W.A, Berger, M, Chen, H, Saenger, W, Hinderlich, S. | Deposit date: | 2006-03-13 | Release date: | 2006-09-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation. J.Mol.Biol., 364, 2006
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4CSV
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![BU of 4csv by Molmil](/molmil-images/mine/4csv) | Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR | Authors: | Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D. | Deposit date: | 2014-03-10 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism. Science, 347, 2015
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