5GXG
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![BU of 5gxg by Molmil](/molmil-images/mine/5gxg) | High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Kikui, Y, Hiruma, Y, Ubbink, M, Nojiri, M. | Deposit date: | 2016-09-17 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of productive and futile encounters in an electron transfer protein complex Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5DA8
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![BU of 5da8 by Molmil](/molmil-images/mine/5da8) | Crystal structure of chaperonin GroEL from | Descriptor: | 60 kDa chaperonin, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Chang, C, Marshall, N, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-08-19 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of chaperonin GroEL from To Be Published
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3WSA
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![BU of 3wsa by Molmil](/molmil-images/mine/3wsa) | The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole | Descriptor: | N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, Squalene synthase | Authors: | Shang, N, Li, Q, Huang, C.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-03-05 | Release date: | 2015-04-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | SQ109, a new drug lead for Chagas disease. Antimicrob.Agents Chemother., 59, 2015
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5V2X
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![BU of 5v2x by Molmil](/molmil-images/mine/5v2x) | Ethylene forming enzyme in complex with manganese and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, MANGANESE (II) ION | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | Deposit date: | 2017-03-06 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.847 Å) | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
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5US6
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![BU of 5us6 by Molmil](/molmil-images/mine/5us6) | Structure of Dihydrodipicolinate Reductase from Vibrio vulnificus Bound to NADH and 2,6 Pyridine Dicarboxylic Acid with Intact Polyhistidine Tag | Descriptor: | 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRIDINE-2,6-DICARBOXYLIC ACID, ... | Authors: | Mank, N.M, Arnette, A.K, Chruszcz, M. | Deposit date: | 2017-02-13 | Release date: | 2018-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus. Biochim Biophys Acta Gen Subj, 1865, 2021
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5D3Z
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![BU of 5d3z by Molmil](/molmil-images/mine/5d3z) | Crystal structure of the thioesterase domain of deoxyerythronolide B synthase in complex with a small phosphonate inhibitor | Descriptor: | CALCIUM ION, Erythronolide synthase, modules 5 and 6, ... | Authors: | Bergeret, F, Argyropoulos, P, Boddy, C.N, Schmeing, T.M. | Deposit date: | 2015-08-06 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis. Biochim.Biophys.Acta, 1860, 2015
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5V3P
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3WK6
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![BU of 3wk6 by Molmil](/molmil-images/mine/3wk6) | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | Descriptor: | (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Amano, Y, Yamaguchi, T, Tanabe, E. | Deposit date: | 2013-10-17 | Release date: | 2014-04-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. Bioorg.Med.Chem., 22, 2014
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1YIC
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![BU of 1yic by Molmil](/molmil-images/mine/1yic) | THE OXIDIZED SACCHAROMYCES CEREVISIAE ISO-1-CYTOCHROME C, NMR, 20 STRUCTURES | Descriptor: | CYTOCHROME C, ISO-1, HEME C | Authors: | Banci, L, Bertini, I, Bren, K.L, Gray, H.B, Sompornpisut, P, Turano, P. | Deposit date: | 1997-02-18 | Release date: | 1997-07-23 | Last modified: | 2021-11-03 | Method: | SOLUTION NMR | Cite: | Solution structure of oxidized Saccharomyces cerevisiae iso-1-cytochrome c. Biochemistry, 36, 1997
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5D98
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![BU of 5d98 by Molmil](/molmil-images/mine/5d98) | Influenza C Virus RNA-dependent RNA Polymerase - Space group P43212 | Descriptor: | MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ... | Authors: | Hengrung, N, El Omari, K, Serna Martin, I, Vreede, F.T, Cusack, S, Rambo, R.P, Vonrhein, C, Bricogne, G, Stuart, D.I, Grimes, J.M, Fodor, E. | Deposit date: | 2015-08-18 | Release date: | 2015-10-21 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Crystal structure of the RNA-dependent RNA polymerase from influenza C virus. Nature, 527, 2015
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1YUJ
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![BU of 1yuj by Molmil](/molmil-images/mine/1yuj) | SOLUTION NMR STRUCTURE OF THE GAGA FACTOR/DNA COMPLEX, 50 STRUCTURES | Descriptor: | DNA (5'-D(*GP*CP*CP*GP*AP*GP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*CP*TP*CP*TP*CP*GP*GP*C)-3'), GAGA-FACTOR, ... | Authors: | Clore, G.M, Omichinski, J.G, Gronenborn, A.M. | Deposit date: | 1996-12-31 | Release date: | 1997-12-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of a specific GAGA factor-DNA complex reveals a modular binding mode. Nat.Struct.Biol., 4, 1997
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5DB7
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1YUI
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![BU of 1yui by Molmil](/molmil-images/mine/1yui) | SOLUTION NMR STRUCTURE OF THE GAGA FACTOR/DNA COMPLEX, REGULARIZED MEAN STRUCTURE | Descriptor: | DNA (5'-D(*GP*CP*CP*GP*AP*GP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*CP*TP*CP*TP*CP*GP*GP*C)-3'), GAGA-FACTOR, ... | Authors: | Clore, G.M, Omichinski, J.G, Gronenborn, A.M. | Deposit date: | 1996-12-31 | Release date: | 1997-12-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of a specific GAGA factor-DNA complex reveals a modular binding mode. Nat.Struct.Biol., 4, 1997
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5S71
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![BU of 5s71 by Molmil](/molmil-images/mine/5s71) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with FUZS-5 | Descriptor: | 5'-thiothymidine, CITRIC ACID, Uridylate-specific endoribonuclease | Authors: | Godoy, A.S, Bege, M, Bajusz, D, BorbAs, A, Keseru, G.M, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | Deposit date: | 2020-11-13 | Release date: | 2020-11-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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3WOO
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![BU of 3woo by Molmil](/molmil-images/mine/3woo) | Crystal structure of the DAP BII hexapeptide complex I | Descriptor: | Angiotensin II, GLYCEROL, ZINC ION, ... | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2013-12-29 | Release date: | 2014-09-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | S46 peptidases are the first exopeptidases to be members of clan PA SCI REP, 4, 2014
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1YPI
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3WPC
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![BU of 3wpc by Molmil](/molmil-images/mine/3wpc) | Crystal structure of horse TLR9 in complex with agonistic DNA1668_12mer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*CP*AP*TP*GP*AP*CP*GP*TP*TP*CP*CP*T)-3'), ... | Authors: | Ohto, U, Tanji, H, Shimizu, T. | Deposit date: | 2014-01-11 | Release date: | 2015-02-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9 Nature, 520, 2015
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5S8H
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![BU of 5s8h by Molmil](/molmil-images/mine/5s8h) | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00964e (space group C2) | Descriptor: | 3-methylpyridin-2-ol, PH-interacting protein | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | Deposit date: | 2020-12-17 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | XChem group deposition To Be Published
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5S8D
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![BU of 5s8d by Molmil](/molmil-images/mine/5s8d) | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00539e (space group C2) | Descriptor: | PH-interacting protein, methyl quinoline-6-carboxylate | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | Deposit date: | 2020-12-17 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | XChem group deposition To Be Published
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5S8O
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![BU of 5s8o by Molmil](/molmil-images/mine/5s8o) | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01460c (space group P212121) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-(4-chloro-2-methylphenyl)acetamide, ... | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | Deposit date: | 2020-12-17 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | XChem group deposition To Be Published
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5CTE
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![BU of 5cte by Molmil](/molmil-images/mine/5cte) | |
1ZCF
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1YZ0
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![BU of 1yz0 by Molmil](/molmil-images/mine/1yz0) | R-State AMP Complex Reveals Initial Steps of the Quaternary Transition of Fructose-1,6-bisphosphatase | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase, ... | Authors: | Iancu, C.V, Mukund, S, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2005-02-25 | Release date: | 2005-03-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | R-state AMP complex reveals initial steps of the quaternary transition of fructose-1,6-bisphosphatase. J.Biol.Chem., 280, 2005
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3WD0
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![BU of 3wd0 by Molmil](/molmil-images/mine/3wd0) | Serratia marcescens Chitinase B, tetragonal form | Descriptor: | Chitinase B, DITHIANE DIOL, GLYCEROL, ... | Authors: | Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T. | Deposit date: | 2013-06-06 | Release date: | 2013-09-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor Proc.Natl.Acad.Sci.USA, 110, 2013
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5S6X
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![BU of 5s6x by Molmil](/molmil-images/mine/5s6x) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2889976755 | Descriptor: | 1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine, CITRIC ACID, Uridylate-specific endoribonuclease | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | Deposit date: | 2020-11-13 | Release date: | 2020-11-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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