4EZB
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![BU of 4ezb by Molmil](/molmil-images/mine/4ezb) | CRYSTAL STRUCTURE OF the Conserved hypothetical protein from Sinorhizobium meliloti 1021 | Descriptor: | uncharacterized conserved protein | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-05-02 | Release date: | 2012-05-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | CRYSTAL STRUCTURE OF the Conserved hypothetical protein from Sinorhizobium meliloti 1021 To be Published
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3LJK
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![BU of 3ljk by Molmil](/molmil-images/mine/3ljk) | Glucose-6-phosphate isomerase from Francisella tularensis. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-01-26 | Release date: | 2010-03-16 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | X-ray crystal structure of glucose-6-phosphate isomerase from Francisella tularensis. To be Published
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6KE3
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![BU of 6ke3 by Molmil](/molmil-images/mine/6ke3) | |
5HWW
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![BU of 5hww by Molmil](/molmil-images/mine/5hww) | Crystal structure of PAS1 complexed with 1,2,4-TMB | Descriptor: | 1,2,4-trimethylbenzene, Sensor histidine kinase TodS | Authors: | Hwang, J, Koh, S. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System. J. Biol. Chem., 291, 2016
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4F4R
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![BU of 4f4r by Molmil](/molmil-images/mine/4f4r) | Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop | Descriptor: | CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2012-05-11 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop to be published
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6KA6
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![BU of 6ka6 by Molmil](/molmil-images/mine/6ka6) | Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 1 | Descriptor: | (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, GLYCEROL, LYSINE, ... | Authors: | Zhou, J, Fang, P. | Deposit date: | 2019-06-21 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase. Acs Chem.Biol., 15, 2020
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6KID
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![BU of 6kid by Molmil](/molmil-images/mine/6kid) | Crystal structure of human leucyl-tRNA synthetase, ATP-bound form | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, LEUCINE, Leucine--tRNA ligase, ... | Authors: | Kim, S, Son, J, Kim, S, Hwang, K.Y. | Deposit date: | 2019-07-18 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Leucine-sensing mechanism of leucyl-tRNA synthetase 1 for mTORC1 activation. Cell Rep, 35, 2021
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6KJA
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![BU of 6kja by Molmil](/molmil-images/mine/6kja) | E. coli ATCase holoenzyme mutant - G128/130A (catalytic chain) | Descriptor: | Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION | Authors: | Lei, Z, Zheng, J, Jia, Z.C. | Deposit date: | 2019-07-22 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.064 Å) | Cite: | New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development. Febs J., 287, 2020
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2A0K
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![BU of 2a0k by Molmil](/molmil-images/mine/2a0k) | Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.8 A resolution | Descriptor: | GLYCEROL, Nucleoside 2-deoxyribosyltransferase, SULFATE ION | Authors: | Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | Deposit date: | 2005-06-16 | Release date: | 2005-07-26 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. J.Med.Chem., 49, 2006
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4F7E
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![BU of 4f7e by Molmil](/molmil-images/mine/4f7e) | Crystal structure of bovine CD1d with bound C16:0-alpha-galactosyl ceramide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Wang, J, Zajonc, D.M. | Deposit date: | 2012-05-15 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Bovine CD1d Reveal Altered αGalCer Presentation and a Restricted A' Pocket Unable to Bind Long-Chain Glycolipids. Plos One, 7, 2012
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6KCN
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![BU of 6kcn by Molmil](/molmil-images/mine/6kcn) | Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 4 | Descriptor: | 3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one, GLYCEROL, LYSINE, ... | Authors: | Zhou, J, Fang, P. | Deposit date: | 2019-06-28 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase. Acs Chem.Biol., 15, 2020
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3L8V
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![BU of 3l8v by Molmil](/molmil-images/mine/3l8v) | |
4CD5
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![BU of 4cd5 by Molmil](/molmil-images/mine/4cd5) | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate. Angew.Chem.Int.Ed.Engl., 53, 2014
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6KKT
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![BU of 6kkt by Molmil](/molmil-images/mine/6kkt) | human KCC1 structure determined in KCl and lipid nanodisc | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | Deposit date: | 2019-07-27 | Release date: | 2019-10-23 | Last modified: | 2020-08-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1. Science, 366, 2019
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6KLE
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![BU of 6kle by Molmil](/molmil-images/mine/6kle) | Monomeric structure of Machupo virus polymerase bound to vRNA promoter | Descriptor: | MANGANESE (II) ION, RNA (5'-R(*GP*CP*CP*UP*AP*GP*GP*AP*UP*CP*CP*AP*CP*UP*GP*UP*GP*CP*G)-3'), RNA-directed RNA polymerase L, ... | Authors: | Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y. | Deposit date: | 2019-07-30 | Release date: | 2020-03-18 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural insight into arenavirus replication machinery. Nature, 579, 2020
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4C34
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![BU of 4c34 by Molmil](/molmil-images/mine/4c34) | PKA-S6K1 Chimera with Staurosporine bound | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, GLYCEROL, ... | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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7YGV
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![BU of 7ygv by Molmil](/molmil-images/mine/7ygv) | Crystal structure of the Ca2+-bound EFhd1/Swiprosin-2 | Descriptor: | CALCIUM ION, EF-hand domain-containing protein D1, GLYCEROL, ... | Authors: | Mun, S.A, Park, J, Kang, J.Y, Park, T, Jin, M, Ynag, J, Eom, S.H. | Deposit date: | 2022-07-12 | Release date: | 2023-03-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and biochemical insights into Zn 2+ -bound EF-hand proteins, EFhd1 and EFhd2. Iucrj, 10, 2023
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4CD7
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![BU of 4cd7 by Molmil](/molmil-images/mine/4cd7) | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG and beta-1,4-mannobiose | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose, ... | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate. Angew.Chem.Int.Ed.Engl., 53, 2014
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6KNH
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![BU of 6knh by Molmil](/molmil-images/mine/6knh) | Crystal structure of SbnH in complex with citrate, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis | Descriptor: | CITRIC ACID, PHOSPHATE ION, Probable diaminopimelate decarboxylase protein | Authors: | Tang, J, Ju, Y, Zhou, H. | Deposit date: | 2019-08-05 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis. J.Mol.Biol., 431, 2019
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4RK5
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![BU of 4rk5 by Molmil](/molmil-images/mine/4rk5) | Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound sucrose | Descriptor: | ACETATE ION, SODIUM ION, Transcriptional regulator, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-11 | Release date: | 2014-11-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of LacI Transcriptional Regulator Lsei_2103 from Lactobacillus casei, Target EFI-512911 To be Published
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4RKQ
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![BU of 4rkq by Molmil](/molmil-images/mine/4rkq) | Crystal structure of LacI family transcriptional regulator from Arthrobacter sp. FB24, target EFI-560007 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-13 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Crystal Structure of LacI Transcriptional Regulator PurR from Arthrobacter Sp, Target Nysgxrc 11027R To be Published
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2GP5
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![BU of 2gp5 by Molmil](/molmil-images/mine/2gp5) | Crystal structure of catalytic core domain of jmjd2A complexed with alpha-Ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, Jumonji domain-containing protein 2A, ... | Authors: | Chen, Z, Zang, J, Whetstine, J, Hong, X, Davrazou, F, Kutateladze, T.G, Simpson, M, Dai, S, Hagman, J, Shi, Y, Zhang, G. | Deposit date: | 2006-04-16 | Release date: | 2006-05-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural insights into histone demethylation by JMJD2 family members Cell(Cambridge,Mass.), 125, 2006
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6KLD
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![BU of 6kld by Molmil](/molmil-images/mine/6kld) | Structure of apo Machupo virus polymerase | Descriptor: | MANGANESE (II) ION, RNA-directed RNA polymerase L, ZINC ION | Authors: | Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y. | Deposit date: | 2019-07-30 | Release date: | 2020-03-18 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structural insight into arenavirus replication machinery. Nature, 579, 2020
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4RK7
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![BU of 4rk7 by Molmil](/molmil-images/mine/4rk7) | Crystal structure of LacI family transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926, with bound sucrose | Descriptor: | Glucose-resistance amylase regulator, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-11 | Release date: | 2014-10-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926 To be Published
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2Q3G
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![BU of 2q3g by Molmil](/molmil-images/mine/2q3g) | Structure of the PDZ domain of human PDLIM7 bound to a C-terminal extension from human beta-tropomyosin | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ and LIM domain protein 7 | Authors: | Gileadi, C, Papagrigoriou, E, Elkins, J, Burgess-Brown, N, Salah, E, Gileadi, O, Umeano, C, Bunkoczi, G, von Delft, F, Uppenberg, J, Pike, A.C.W, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-30 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms Protein Sci., 19, 2010
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