3LM5
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![BU of 3lm5 by Molmil](/molmil-images/mine/3lm5) | Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B | Authors: | Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-01-29 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J.Med.Chem., 63, 2020
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3LND
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3LNG
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5TP1
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3LXJ
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![BU of 3lxj by Molmil](/molmil-images/mine/3lxj) | Crystal Structure of the Bromodomain of Human AAA domain containing 2B (ATAD2B) | Descriptor: | ATPase family AAA domain-containing protein 2B, ISOPROPYL ALCOHOL | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, Fedorov, O, Krojer, T, Vollmar, M, Muniz, J, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-02-25 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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5V50
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![BU of 5v50 by Molmil](/molmil-images/mine/5v50) | Crystal Structure of MpPR-1i | Descriptor: | PR-1 protein | Authors: | Luo, Z, Asojo, O. | Deposit date: | 2017-03-12 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal Structure of MpPR-1i, a SCP/TAPS protein from Moniliophthora perniciosa, the fungus that causes Witches' Broom Disease of Cacao. Sci Rep, 7, 2017
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3MA3
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![BU of 3ma3 by Molmil](/molmil-images/mine/3ma3) | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a naphtho-difuran ligand | Descriptor: | Pimtide, Proto-oncogene serine/threonine-protein kinase pim-1, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Vollmar, M, von Delft, F, Cochet, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-23 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights. Faseb J., 24, 2010
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5VJ4
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3K2O
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![BU of 3k2o by Molmil](/molmil-images/mine/3k2o) | Structure of an oxygenase | Descriptor: | ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ... | Authors: | Krojer, T, McDonough, M.A, Clifton, I.J, Mantri, M, Ng, S.S, Pike, A.C.W, Butler, D.S, Webby, C.J, Kochan, G, Bhatia, C, Bray, J.E, Chaikuad, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Schofield, C.J, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-30 | Release date: | 2009-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6. J.Mol.Biol., 401, 2010
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5UXA
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![BU of 5uxa by Molmil](/molmil-images/mine/5uxa) | Crystal structure of macrolide 2'-phosphotransferase MphB from Escherichia coli | Descriptor: | CALCIUM ION, Macrolide 2'-phosphotransferase II | Authors: | Stogios, P.J, Evdokimova, E, Egorova, O, Di Leo, R, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-22 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The evolution of substrate discrimination in macrolide antibiotic resistance enzymes. Nat Commun, 9, 2018
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5WOL
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![BU of 5wol by Molmil](/molmil-images/mine/5wol) | Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 4-hydroxy-tetrahydrodipicolinate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-08-02 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii To Be Published
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7EFD
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![BU of 7efd by Molmil](/molmil-images/mine/7efd) | 1.77 A cryo-EM structure of Streptavidin using first 40 frames (corresponding to about 40 e/A^2 total dose) | Descriptor: | BIOTIN, Streptavidin | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Kotecha, A, Nureki, O. | Deposit date: | 2021-03-21 | Release date: | 2021-04-28 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (1.77 Å) | Cite: | 1.77 A cryo-EM structure of Streptavidin using first 40 frames (corresponding to about 40e/A^2 total dose) To Be Published
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7EFC
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![BU of 7efc by Molmil](/molmil-images/mine/7efc) | 1.70 A cryo-EM structure of streptavidin | Descriptor: | BIOTIN, Streptavidin | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Kotecha, A, Nureki, O. | Deposit date: | 2021-03-21 | Release date: | 2021-04-28 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (1.7 Å) | Cite: | 1.70 A cryo-EM structure of streptavidin using all frames (corresponding to 70 e/A^2 total dose) To Be Published
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3MTL
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![BU of 3mtl by Molmil](/molmil-images/mine/3mtl) | Crystal structure of the PCTAIRE1 kinase in complex with Indirubin E804 | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cell division protein kinase 16 | Authors: | Krojer, T, Sharpe, T.D, Roos, A, Savitsky, P, Amos, A, Ayinampudi, V, Berridge, G, Fedorov, O, Keates, T, Phillips, C, Burgess-Brown, N, Zhang, Y, Pike, A.C.W, Muniz, J, Vollmar, M, Thangaratnarajah, C, Rellos, P, Ugochukwu, E, Filippakopoulos, P, Yue, W, Das, S, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-30 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16. Biochem.J., 474, 2017
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7DY0
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7QGI
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![BU of 7qgi by Molmil](/molmil-images/mine/7qgi) | Crystal structure of SARS-CoV-2 NSP14 in the absence of NSP10 | Descriptor: | PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION | Authors: | Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O. | Deposit date: | 2021-12-08 | Release date: | 2022-01-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development. Nucleic Acids Res., 51, 2023
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7QIF
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![BU of 7qif by Molmil](/molmil-images/mine/7qif) | Crystal structure of SARS-CoV-2 NSP14 in complex with 7MeGpppG. | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | Authors: | Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O. | Deposit date: | 2021-12-14 | Release date: | 2022-02-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development. Nucleic Acids Res., 51, 2023
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4QXK
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![BU of 4qxk by Molmil](/molmil-images/mine/4qxk) | Joint X-ray/neutron structure of PKGIbeta in complex with cGMP | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-dependent protein kinase 1 | Authors: | Kim, C, Gerlits, O, Kovalevsky, A, Huang, G.Y. | Deposit date: | 2014-07-21 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | Cite: | Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design. Biochemistry, 53, 2014
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7QEA
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![BU of 7qea by Molmil](/molmil-images/mine/7qea) | Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | Descriptor: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ... | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-01 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QG4
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![BU of 7qg4 by Molmil](/molmil-images/mine/7qg4) | Apo crystal structure of a mutant of SN243 (D415N) | Descriptor: | SN243, SULFATE ION, ZINC ION | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-07 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QEF
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![BU of 7qef by Molmil](/molmil-images/mine/7qef) | Crystal structure of para-nitrophenyl-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, ACETATE ION, SN243, ... | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-02 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QE2
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![BU of 7qe2 by Molmil](/molmil-images/mine/7qe2) | Crystal structure of D-glucuronic acid bound to SN243 | Descriptor: | ACETATE ION, SN243, SULFATE ION, ... | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-01 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QE1
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![BU of 7qe1 by Molmil](/molmil-images/mine/7qe1) | Crystal structure of apo SN243 | Descriptor: | SN243, ZINC ION | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-01 | Release date: | 2022-10-12 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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4RXI
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![BU of 4rxi by Molmil](/molmil-images/mine/4rxi) | Structure of C-terminal domain of uncharacterized protein from Legionella pneumophila | Descriptor: | hypothetical protein lpg0944 | Authors: | Cuff, M, Nocek, B, Evdokimova, E, Egorova, O, Joachimiak, A, Ensminger, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-12-11 | Release date: | 2015-05-06 | Last modified: | 2017-01-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila. Mol Syst Biol, 12, 2016
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7QEE
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![BU of 7qee by Molmil](/molmil-images/mine/7qee) | SN243 mutant D415N bound to para-nitrophenyl-Beta-D-glucuronide | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, SN243, SULFATE ION, ... | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-02 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.374 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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