6TVE
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![BU of 6tve by Molmil](/molmil-images/mine/6tve) | Unliganded human CD73 (5'-nucleotidase) in the open state | Descriptor: | 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Scaletti, E, Strater, N. | Deposit date: | 2020-01-09 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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6URQ
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![BU of 6urq by Molmil](/molmil-images/mine/6urq) | Complex structure of human poly-ADP-ribosyltransferase TNKS1 ARC2-ARC3 and P antigen family member 4 (PAGE4) | Descriptor: | GLYCEROL, P antigen family member 4, Poly [ADP-ribose] polymerase tankyrase-1, ... | Authors: | Zheng, Y, Koirala, S, Miller, D, Potts, P.R. | Deposit date: | 2019-10-24 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Tissue-Specific Regulation of the Wnt/ beta-Catenin Pathway by PAGE4 Inhibition of Tankyrase. Cell Rep, 32, 2020
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6F8S
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![BU of 6f8s by Molmil](/molmil-images/mine/6f8s) | Toxin-Antitoxin complex GraTA | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative Killer protein, SULFATE ION, ... | Authors: | Talavera, A, Loris, R. | Deposit date: | 2017-12-13 | Release date: | 2018-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT. Nat Commun, 10, 2019
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4HQS
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![BU of 4hqs by Molmil](/molmil-images/mine/4hqs) | Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_0659 (Etrx1) from Streptococcus pneumoniae strain TIGR4 | Descriptor: | GLYCEROL, MAGNESIUM ION, Thioredoxin family protein | Authors: | Bartual, S.G, Saleh, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S. | Deposit date: | 2012-10-26 | Release date: | 2013-12-25 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence. EMBO Mol Med, 5, 2013
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4HQZ
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![BU of 4hqz by Molmil](/molmil-images/mine/4hqz) | Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_1000 (Etrx2) from Streptococcus pneumoniae strain TIGR4 in complex with 2-hydroxyethyl disulfide | Descriptor: | 2-HYDROXYETHYL DISULFIDE, DI(HYDROXYETHYL)ETHER, Thioredoxin family protein | Authors: | Bartual, S.G, Saleh, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S. | Deposit date: | 2012-10-26 | Release date: | 2013-12-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence. EMBO Mol Med, 5, 2013
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6F8H
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![BU of 6f8h by Molmil](/molmil-images/mine/6f8h) | antitoxin GraA | Descriptor: | XRE family transcriptional regulator | Authors: | Talavera, A, Loris, R. | Deposit date: | 2017-12-13 | Release date: | 2019-01-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT. Nat Commun, 10, 2019
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4FBK
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![BU of 4fbk by Molmil](/molmil-images/mine/4fbk) | Crystal structure of a covalently fused Nbs1-Mre11 complex with one manganese ion per active site | Descriptor: | DNA repair and telomere maintenance protein nbs1,DNA repair protein rad32 CHIMERIC PROTEIN, MANGANESE (II) ION, SULFATE ION | Authors: | Schiller, C.B, Lammens, K, Hopfner, K.P. | Deposit date: | 2012-05-23 | Release date: | 2012-06-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.379 Å) | Cite: | Structure of Mre11-Nbs1 complex yields insights into ataxia-telangiectasia-like disease mutations and DNA damage signaling. Nat.Struct.Mol.Biol., 19, 2012
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4FBQ
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2EGY
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![BU of 2egy by Molmil](/molmil-images/mine/2egy) | Crystal structure of LysN, alpha-aminoadipate aminotransferase (substrate free form), from Thermus thermophilus HB27 | Descriptor: | Alpha-aminodipate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Tomita, T, Miyazaki, T, Miyagawa, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2007-03-02 | Release date: | 2008-03-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal structure of LysN, alpha-aminoadipate aminotransferase, from Thermus thermophilus HB27 To be Published
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6FIX
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![BU of 6fix by Molmil](/molmil-images/mine/6fix) | antitoxin GraA in complex with its operator | Descriptor: | DNA (30-MER), XRE family transcriptional regulator | Authors: | Talavera, A, Loris, R. | Deposit date: | 2018-01-19 | Release date: | 2019-01-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT. Nat Commun, 10, 2019
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8QZD
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![BU of 8qzd by Molmil](/molmil-images/mine/8qzd) | Soluble epoxide hydrolase in complex with Epoxykinin | Descriptor: | 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ... | Authors: | Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-27 | Release date: | 2024-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator. J.Med.Chem., 67, 2024
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8OTO
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8OV4
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![BU of 8ov4 by Molmil](/molmil-images/mine/8ov4) | |
8OSX
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8OTR
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![BU of 8otr by Molmil](/molmil-images/mine/8otr) | SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM analog BDH 33959089 | Descriptor: | (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide, 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D. | Deposit date: | 2023-04-21 | Release date: | 2023-05-24 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16 To Be Published
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6QHD
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![BU of 6qhd by Molmil](/molmil-images/mine/6qhd) | Lysine acetylated and tyrosine phosphorylated STAT3 in a complex with DNA | Descriptor: | DNA (5'-D(*AP*AP*GP*AP*TP*TP*TP*AP*CP*GP*GP*GP*AP*AP*AP*TP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3 | Authors: | Arbely, E, Belo, Y, Shahar, A, Zarivach, R. | Deposit date: | 2019-01-16 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Unexpected implications of STAT3 acetylation revealed by genetic encoding of acetyl-lysine. Biochim Biophys Acta Gen Subj, 1863, 2019
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4ETC
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![BU of 4etc by Molmil](/molmil-images/mine/4etc) | Lysozyme, room temperature, 24 kGy dose | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.906 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4K0D
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![BU of 4k0d by Molmil](/molmil-images/mine/4k0d) | Periplasmic sensor domain of sensor histidine kinase, Adeh_2942 | Descriptor: | ACETATE ION, CHLORIDE ION, Periplasmic sensor hybrid histidine kinase, ... | Authors: | Pokkuluri, P.R, Mack, J.C, Bearden, J, Rakowski, E, Schiffer, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-04-03 | Release date: | 2013-06-12 | Last modified: | 2015-04-15 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Analysis of periplasmic sensor domains from Anaeromyxobacter dehalogenans 2CP-C: structure of one sensor domain from a histidine kinase and another from a chemotaxis protein. Microbiologyopen, 2, 2013
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4JGP
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![BU of 4jgp by Molmil](/molmil-images/mine/4jgp) | The crystal structure of sporulation kinase D sensor domain from Bacillus subtilis subsp in complex with pyruvate at 2.0A resolution | Descriptor: | PYRUVIC ACID, Sporulation kinase D | Authors: | Wu, R, Schiffer, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-03-01 | Release date: | 2013-05-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Insight into the sporulation phosphorelay: Crystal structure of the sensor domain of Bacillus subtilis histidine kinase, KinD. Protein Sci., 22, 2013
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4ET9
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![BU of 4et9 by Molmil](/molmil-images/mine/4et9) | Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4ETD
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![BU of 4etd by Molmil](/molmil-images/mine/4etd) | Lysozyme, room-temperature, rotating anode, 0.0026 MGy | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4NVP
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![BU of 4nvp by Molmil](/molmil-images/mine/4nvp) | Structure of the cyclic nucleotide-binding domain of HCN4 channel complexed with 7-CH-cAMP | Descriptor: | (2S,4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | Authors: | Alfieri, A, Moroni, A. | Deposit date: | 2013-12-05 | Release date: | 2014-03-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cyclic Nucleotide Mapping of Hyperpolarization-Activated Cyclic Nucleotide-Gated (HCN) Channels. Acs Chem.Biol., 9, 2014
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4NDB
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![BU of 4ndb by Molmil](/molmil-images/mine/4ndb) | X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium-signalling protein | Descriptor: | CALCIUM ION, Calexcitin | Authors: | Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. | Deposit date: | 2013-10-25 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein. Acta Crystallogr.,Sect.D, 71, 2015
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4ETA
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![BU of 4eta by Molmil](/molmil-images/mine/4eta) | Lysozyme, room temperature, 400 kGy dose | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4NDC
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![BU of 4ndc by Molmil](/molmil-images/mine/4ndc) | X-ray structure of a mutant (T188D) of calexcitin - a neuronal calcium-signalling protein | Descriptor: | CALCIUM ION, Calexcitin | Authors: | Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. | Deposit date: | 2013-10-25 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein. Acta Crystallogr.,Sect.D, 71, 2015
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