5KPC
| Pavine N-methyltransferase H206A mutant in complex with S-adenosylmethionine pH 6 | Descriptor: | Pavine N-methyltransferase, S-ADENOSYLMETHIONINE | Authors: | Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | Deposit date: | 2016-07-03 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism. J.Biol.Chem., 291, 2016
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6KJ6
| cryo-EM structure of Escherichia coli Crl transcription activation complex | Descriptor: | DNA (51-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Xu, J, Zhang, Y. | Deposit date: | 2019-07-21 | Release date: | 2020-01-01 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Crl activates transcription by stabilizing active conformation of the master stress transcription initiation factor. Elife, 8, 2019
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3Q96
| B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | Descriptor: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | Authors: | Sintchak, M.D, Aertgeerts, K, Yano, J. | Deposit date: | 2011-01-07 | Release date: | 2011-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors. J.Med.Chem., 54, 2011
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5HOD
| Structure of LHX4 transcription factor complexed with DNA | Descriptor: | DNA (5'-D(P*AP*CP*CP*TP*AP*AP*TP*TP*AP*GP*GP*CP*GP*TP*AP*AP*TP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*AP*TP*TP*AP*CP*GP*CP*CP*TP*AP*AP*TP*TP*AP*GP*GP*T)-3'), LIM/homeobox protein Lhx4 | Authors: | Morgunova, E, Yin, Y, Popov, A, Taipale, J. | Deposit date: | 2016-01-19 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.682 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
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6KNK
| Crystal structure of SbnH in complex with citryl-diaminoethane | Descriptor: | (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, (2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, PHOSPHATE ION, ... | 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 (2.3 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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2ES7
| Crystal structure of Q8ZP25 from Salmonella typhimurium LT2. NESG TARGET STR70 | Descriptor: | putative thiol-disulfide isomerase and thioredoxin | Authors: | Benach, J, Su, M, Forouhar, F, Chen, Y, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.-C, Rong, X, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-10-25 | Release date: | 2005-11-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Q8ZP25 from Salmonella typhimurium LT2 NESG target STR70. To be Published
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5DR4
| Endothiapepsin in complex with fragment 231 | Descriptor: | 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-09-15 | Release date: | 2016-09-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4S38
| IspG in complex MEcPP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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6KJ9
| E. coli ATCase catalytic subunit mutant - G128/130A | Descriptor: | Aspartate carbamoyltransferase catalytic subunit | 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 (2.5 Å) | Cite: | New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development. Febs J., 287, 2020
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4RK0
| Crystal structure of LacI family transcriptional regulator from Enterococcus faecalis V583, Target EFI-512923, with bound ribose | Descriptor: | LacI family sugar-binding transcriptional regulator, alpha-D-ribofuranose | 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: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of LacI Transcriptional Regulator Ef_2962 from Enterococcus faecalis V583, Target EFI-512923 To be Published
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6JTG
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6KKU
| human KCC1 structure determined in NaCl and GDN | 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: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1. Science, 366, 2019
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5HQB
| A Glycoside Hydrolase Family 97 enzyme (E480Q) in complex with Panose from Pseudoalteromonas sp. strain K8 | Descriptor: | Alpha-glucosidase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Li, J, He, C, Xiao, Y. | Deposit date: | 2016-01-21 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation. J. Struct. Biol., 196, 2016
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1UW7
| Nsp9 protein from SARS-coronavirus. | Descriptor: | NSP9 | Authors: | Sutton, G, Fry, E, Carter, L, Sainsbury, S, Walter, T, Nettleship, J, Berrow, N, Owens, R, Gilbert, R, Davidson, A, Siddell, S, Poon, L.L.M, Diprose, J, Alderton, D, Walsh, M, Grimes, J.M, Stuart, D.I. | Deposit date: | 2004-01-30 | Release date: | 2004-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Nsp9 Replicase Protein of Sars-Coronavirus, Structure and Functional Insights Structure, 12, 2004
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6KLH
| Dimeric 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 (3.7 Å) | Cite: | Structural insight into arenavirus replication machinery. Nature, 579, 2020
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7XW6
| TSHR-Gs-M22 antibody-ML109 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Duan, J, Xu, P, Luan, X, Ji, Y, Yuan, Q, He, X, Ye, J, Cheng, X, Jiang, H, Zhang, S, Jiang, Y, Xu, H.E. | Deposit date: | 2022-05-26 | Release date: | 2022-08-17 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Hormone- and antibody-mediated activation of the thyrotropin receptor. Nature, 609, 2022
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4S3D
| IspG in complex with PPi | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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3QIR
| Crystal structure of PIWIL2 PAZ domain | Descriptor: | Piwi-like protein 2 | Authors: | Dong, A, Xu, C, Bian, C, Wernimont, A.K, Kania, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2011-01-27 | Release date: | 2011-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of PIWIL2 PAZ domain To be Published
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6K0V
| Catalytic domain of GH87 alpha-1,3-glucanase D1069A in complex with tetrasaccharides | Descriptor: | Alpha-1,3-glucanase, CALCIUM ION, SULFATE ION, ... | Authors: | Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T. | Deposit date: | 2019-05-07 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11. Febs J., 287, 2020
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5H62
| Structure of Transferase mutant-C23S,C199S | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Transferase, ... | Authors: | Park, J.B, Yoo, Y, Kim, J. | Deposit date: | 2016-11-10 | Release date: | 2017-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural basis for arginine glycosylation of host substrates by bacterial effector proteins. Nat Commun, 9, 2018
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3IL5
| Structure of E. faecalis FabH in complex with 2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid | Descriptor: | 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3 | Authors: | Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K. | Deposit date: | 2009-08-06 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme. Febs Lett., 583, 2009
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4RXM
| Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from Mannheimia haemolytica PHL213, Target EFI-511105, in complex with Myo-inositol | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ASPARTIC ACID, CHLORIDE ION, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of solute binding sugar transporter A7JW62 from Mannheimia haemolytica, Target EFI-511105. To be Published
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2A78
| Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mono-ADP-ribosyltransferase C3, ... | Authors: | Pautsch, A, Vogelsgesang, M, Trankle, J, Herrmann, C, Aktories, K. | Deposit date: | 2005-07-05 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme. Embo J., 24, 2005
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6NXF
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6KA3
| Crystal structure of a Thebaine synthase from Papaver somniferum | Descriptor: | PALMITIC ACID, SULFATE ION, Thebaine synthase 2 | Authors: | Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2019-06-20 | Release date: | 2020-06-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Structural insights into thebaine synthase 2 catalysis. Biochem.Biophys.Res.Commun., 529, 2020
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