5MW8
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![BU of 5mw8 by Molmil](/molmil-images/mine/5mw8) | INOSITOL 1,3,4,5,6-PENTAKISPHOSPHATE 2-KINASE FROM M. MUSCULUS IN COMPLEX WITH ATP and IP5 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ... | Authors: | Franco-Echevarria, E, Sanz-Aparicio, J, Gonzalez, B. | Deposit date: | 2017-01-18 | Release date: | 2017-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of mammalian inositol 1,3,4,5,6-pentakisphosphate 2-kinase reveals a new zinc-binding site and key features for protein function. J. Biol. Chem., 292, 2017
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7UJV
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![BU of 7ujv by Molmil](/molmil-images/mine/7ujv) | Structure of PHD2 in complex with HIF2a-CODD | Descriptor: | Egl nine homolog 1, Endothelial PAS domain-containing protein 1, FE (III) ION, ... | Authors: | Ferens, F.G, Tarade, D, Lee, J.E, Ohh, M. | Deposit date: | 2022-03-31 | Release date: | 2023-04-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Deficiency in PHD2-mediated hydroxylation of HIF2 alpha underlies Pacak-Zhuang syndrome. Commun Biol, 7, 2024
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5DUE
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![BU of 5due by Molmil](/molmil-images/mine/5due) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a para-Hydroxyl-substituted, Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 Analog 4-hydroxyphenyl (1S,2S,4S,5S,6R,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]heptane-2-sulfonate 7-oxide | Descriptor: | 4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-18 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5U3B
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![BU of 5u3b by Molmil](/molmil-images/mine/5u3b) | Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Sprague, E.R. | Deposit date: | 2016-12-01 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC. J. Med. Chem., 60, 2017
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5MXU
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![BU of 5mxu by Molmil](/molmil-images/mine/5mxu) | Structure of the Y503F mutant of vanillyl alcohol oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Vanillyl-alcohol oxidase | Authors: | Ewing, T.A, Nguyen, Q.-T, Allan, R.C, Gygli, G, Romero, E, Binda, C, Fraaije, M.W, Mattevi, A, van Berkel, W.J.H. | Deposit date: | 2017-01-24 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Two tyrosine residues, Tyr-108 and Tyr-503, are responsible for the deprotonation of phenolic substrates in vanillyl-alcohol oxidase. J. Biol. Chem., 292, 2017
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7UE6
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![BU of 7ue6 by Molmil](/molmil-images/mine/7ue6) | PANK3 complex structure with compound PZ-3802 | Descriptor: | 1,2-ETHANEDIOL, 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, ACETATE ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
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4G4G
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![BU of 4g4g by Molmil](/molmil-images/mine/4g4g) | Crystal structure of recombinant glucuronoyl esterase from Sporotrichum thermophile determined at 1.55 A resolution | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-glucuronoyl methylesterase, GLYCEROL | Authors: | Charavgi, M.D, Dimarogona, M, Topakas, E, Christakopoulos, P, Chrysina, E.D. | Deposit date: | 2012-07-16 | Release date: | 2013-01-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The structure of a novel glucuronoyl esterase from Myceliophthora thermophila gives new insights into its role as a potential biocatalyst. Acta Crystallogr.,Sect.D, 69, 2013
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2JPA
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![BU of 2jpa by Molmil](/molmil-images/mine/2jpa) | Structure of the Wilms Tumor Suppressor Protein Zinc Finger Domain Bound to DNA | Descriptor: | DNA (5'-D(P*DCP*DAP*DGP*DAP*DCP*DGP*DCP*DCP*DCP*DCP*DCP*DGP*DCP*DG)-3'), DNA (5'-D(P*DCP*DGP*DCP*DGP*DGP*DGP*DGP*DGP*DCP*DGP*DTP*DCP*DTP*DG)-3'), Wilms tumor 1, ... | Authors: | Stoll, R, Lee, B.M, Debler, E.W, Laity, J.H, Wilson, I.A, Dyson, H.J, Wright, P.E. | Deposit date: | 2007-05-01 | Release date: | 2007-10-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the wilms tumor suppressor protein zinc finger domain bound to DNA J.Mol.Biol., 372, 2007
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5MYI
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![BU of 5myi by Molmil](/molmil-images/mine/5myi) | Convergent evolution involving dimeric and trimeric dUTPases in signalling. | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A. | Deposit date: | 2017-01-26 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization. PLoS Pathog., 13, 2017
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7V0I
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![BU of 7v0i by Molmil](/molmil-images/mine/7v0i) | Crystal structure of a CelR catalytic domain active site mutant with bound cellohexaose substrate | Descriptor: | CALCIUM ION, Glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G. | Deposit date: | 2022-05-10 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR. J.Biol.Chem., 299, 2023
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3JAE
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![BU of 3jae by Molmil](/molmil-images/mine/3jae) | Structure of alpha-1 glycine receptor by single particle electron cryo-microscopy, glycine-bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1 | Authors: | Du, J, Lu, W, Wu, S.P, Cheng, Y.F, Gouaux, E. | Deposit date: | 2015-06-08 | Release date: | 2015-09-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Glycine receptor mechanism elucidated by electron cryo-microscopy. Nature, 526, 2015
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1XC9
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![BU of 1xc9 by Molmil](/molmil-images/mine/1xc9) | Structure of a high-fidelity polymerase bound to a benzo[a]pyrene adduct that blocks replication | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA polymerase I, DNA primer strand, ... | Authors: | Hsu, G.W, Huang, X, Luneva, N.P, Geacintov, N.E, Beese, L.S. | Deposit date: | 2004-09-01 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a High Fidelity DNA Polymerase Bound to a Benzo[a]pyrene Adduct That Blocks Replication J.Biol.Chem., 280, 2005
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4GML
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![BU of 4gml by Molmil](/molmil-images/mine/4gml) | |
5MVT
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![BU of 5mvt by Molmil](/molmil-images/mine/5mvt) | Crystal structure of an A-DNA dodecamer featuring an alternating pyrimidine-purine sequence | Descriptor: | COBALT (III) ION, DNA | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | Deposit date: | 2017-01-17 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | 5-Formylcytosine does not change the global structure of DNA. Nat. Struct. Mol. Biol., 24, 2017
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7LBY
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3JB4
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![BU of 3jb4 by Molmil](/molmil-images/mine/3jb4) | Structure of Ljungan virus: insight into picornavirus packaging | Descriptor: | VP0, VP1, VP3 | Authors: | Zhu, L, Wang, X.X, Ren, J.S, Porta, C, Wenham, H, Ekstrom, J.-O, Panjwani, A, Knowles, N.J, Kotecha, A, Siebert, A, Lindberg, M, Fry, E.E, Rao, Z.H, Tuthill, T.J, Stuart, D.I. | Deposit date: | 2015-07-21 | Release date: | 2015-10-21 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of Ljungan virus provides insight into genome packaging of this picornavirus. Nat Commun, 6, 2015
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2JVG
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![BU of 2jvg by Molmil](/molmil-images/mine/2jvg) | Structure of C3-binding domain 4 of Staphylococcus aureus protein Sbi | Descriptor: | IgG-binding protein SBI | Authors: | Upadhyay, A, Burman, J, Clark, E.A, van den Elsen, J.M.H, Bagby, S. | Deposit date: | 2007-09-20 | Release date: | 2008-06-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of the C3 binding region of Staphylococcus aureus immune subversion protein Sbi. J.Biol.Chem., 283, 2008
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5MWO
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![BU of 5mwo by Molmil](/molmil-images/mine/5mwo) | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7E8. | Descriptor: | (5-methyl-1-benzothiophen-2-yl)methanol, 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2017-01-18 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry. Angew. Chem. Int. Ed. Engl., 56, 2017
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2BDO
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![BU of 2bdo by Molmil](/molmil-images/mine/2bdo) | SOLUTION STRUCTURE OF HOLO-BIOTINYL DOMAIN FROM ACETYL COENZYME A CARBOXYLASE OF ESCHERICHIA COLI DETERMINED BY TRIPLE-RESONANCE NMR SPECTROSCOPY | Descriptor: | BIOTIN, PROTEIN (ACETYL-COA CARBOXYLASE) | Authors: | Roberts, E.L, Shu, N, Howard, M.J, Broadhurst, R.W, Chapman-Smith, A, Wallace, J.C, Morris, T, Cronan, J.E, Perham, R.N. | Deposit date: | 1999-03-03 | Release date: | 1999-04-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structures of apo and holo biotinyl domains from acetyl coenzyme A carboxylase of Escherichia coli determined by triple-resonance nuclear magnetic resonance spectroscopy. Biochemistry, 38, 1999
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1OG4
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![BU of 1og4 by Molmil](/molmil-images/mine/1og4) | Crystal Structure of the Eucaryotic Mono-ADP-Ribosyltransferase ART2.2 Mutant E189A in Complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, T-CELL ECTO-ADP-RIBOSYLTRANSFERASE 2 | Authors: | Ritter, H, Koch-Nolte, F, Marquez, V.E, Schulz, G.E. | Deposit date: | 2003-04-24 | Release date: | 2003-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Substrate Binding and Catalysis of Ecto-Adp-Ribosyltransferase 2.2 From Rat Biochemistry, 42, 2003
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5JIF
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![BU of 5jif by Molmil](/molmil-images/mine/5jif) | Crystal structure of mouse hepatitis virus strain DVIM Hemagglutinin-Esterase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Zeng, Q.H, Bakkers, M.J.G, Feitsma, L.J, de Groot, R.J, Huizinga, E.G. | Deposit date: | 2016-04-22 | Release date: | 2016-05-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Coronavirus receptor switch explained from the stereochemistry of protein-carbohydrate interactions and a single mutation. Proc.Natl.Acad.Sci.USA, 113, 2016
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5DKG
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![BU of 5dkg by Molmil](/molmil-images/mine/5dkg) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a t-butyl-substituted, methyl, triaryl-ethylene derivative 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol | Descriptor: | 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-03 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5WR9
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![BU of 5wr9 by Molmil](/molmil-images/mine/5wr9) | Crystal structure of hen egg-white lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E. | Deposit date: | 2016-12-01 | Release date: | 2017-12-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydroxyethyl cellulose matrix applied to serial crystallography Sci Rep, 7, 2017
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5LPA
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![BU of 5lpa by Molmil](/molmil-images/mine/5lpa) | AadA E87Q in complex with ATP, calcium and dihydrostreptomycin | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Stern, A.L, Van der Verren, S.E, Selmer, M. | Deposit date: | 2016-08-12 | Release date: | 2018-01-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica. J.Biol.Chem., 293, 2018
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5LKU
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![BU of 5lku by Molmil](/molmil-images/mine/5lku) | Crystal structure of the p300 acetyltransferase catalytic core with coenzyme A. | Descriptor: | COENZYME A, Histone acetyltransferase p300,Histone acetyltransferase p300, ZINC ION | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-25 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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