3HLC
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![BU of 3hlc by Molmil](/molmil-images/mine/3hlc) | Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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5D8O
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![BU of 5d8o by Molmil](/molmil-images/mine/5d8o) | 1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa | Descriptor: | Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | Deposit date: | 2015-08-17 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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7A0X
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![BU of 7a0x by Molmil](/molmil-images/mine/7a0x) | Structure of dimeric sodium proton antiporter NhaA, at pH 6.0, crystallized with chimeric Fab antibodies | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | Authors: | Fippel, A, Lentes, C.J, Mir, S.H, Wirth, C, Hunte, C. | Deposit date: | 2020-08-11 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters To Be Published
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7A0W
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![BU of 7a0w by Molmil](/molmil-images/mine/7a0w) | Structure of dimeric sodium proton antiporter NhaA, at pH 8.5, crystallized with chimeric Fab antibodies | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CARDIOLIPIN, CHLORIDE ION, ... | Authors: | Fippel, A, Gross, N.M, Mir, S.H, Wirth, C, Hunte, C. | Deposit date: | 2020-08-11 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters To Be Published
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7A0Y
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![BU of 7a0y by Molmil](/molmil-images/mine/7a0y) | Structure of dimeric sodium proton antiporter NhaA K300R variant, at pH 8.2, crystallized with chimeric Fab antibodies | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | Authors: | Fippel, A, Mir, S.H, Lentes, C.J, Wirth, C, Hunte, C. | Deposit date: | 2020-08-11 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters To Be Published
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7A9G
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![BU of 7a9g by Molmil](/molmil-images/mine/7a9g) | Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis with intermediate 2-acetyl-thiamine diphosphate | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase, 2-ACETYL-THIAMINE DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gierse, R.M, Reddem, E, Grooves, M.R. | Deposit date: | 2020-09-02 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | First crystal structures of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis indicate a distinct mechanism of intermediate stabilization. Sci Rep, 12, 2022
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5CWL
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2I20
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![BU of 2i20 by Molmil](/molmil-images/mine/2i20) | Bacteriorhodopsin/lipid complex, M state of D96A mutant | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ... | Authors: | Lanyi, J.K, Schobert, B. | Deposit date: | 2006-08-15 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Propagating Structural Perturbation Inside Bacteriorhodopsin: Crystal Structures of the M State and the D96A and T46V Mutants. Biochemistry, 45, 2006
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5YW0
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![BU of 5yw0 by Molmil](/molmil-images/mine/5yw0) | Crystal structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase in complex with succinate and Fe(III) | Descriptor: | ACETATE ION, FE (III) ION, GLYCEROL, ... | Authors: | Chung, H.S, Pemble, C.W, Joo, S.H, Raetz, C.R. | Deposit date: | 2017-11-28 | Release date: | 2018-09-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Biochemical and Structural Insights into an Fe(II)/ alpha-Ketoglutarate/O2-Dependent Dioxygenase, Kdo 3-Hydroxylase (KdoO). J. Mol. Biol., 430, 2018
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6TJ7
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![BU of 6tj7 by Molmil](/molmil-images/mine/6tj7) | T. gondii myosin A trimeric complex | Descriptor: | 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Pazicky, S, Loew, C. | Deposit date: | 2019-11-25 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural role of essential light chains in the apicomplexan glideosome. Commun Biol, 3, 2020
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5UKV
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![BU of 5ukv by Molmil](/molmil-images/mine/5ukv) | DHp domain of PhoR of M. tuberculosis - SeMet | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ATP-binding protein, ... | Authors: | Wang, S. | Deposit date: | 2017-01-23 | Release date: | 2017-12-06 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Asymmetric Structure of the Dimerization Domain of PhoR, a Sensor Kinase Important for the Virulence of Mycobacterium tuberculosis. ACS Omega, 2, 2017
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5ULG
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5V2C
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![BU of 5v2c by Molmil](/molmil-images/mine/5v2c) | RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Wang, J, Wiwczar, J.M, Brudvig, G.W. | Deposit date: | 2017-03-03 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria. Photosyn. Res., 134, 2017
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6S1I
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![BU of 6s1i by Molmil](/molmil-images/mine/6s1i) | Crystal Structure of DYRK1A with small molecule inhibitor | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors. Acs Med.Chem.Lett., 11, 2020
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2HJH
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![BU of 2hjh by Molmil](/molmil-images/mine/2hjh) | Crystal Structure of the Sir2 deacetylase | Descriptor: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, NAD-dependent histone deacetylase SIR2, NICOTINAMIDE, ... | Authors: | Hall, B.E, Ellenberger, T.E. | Deposit date: | 2006-06-30 | Release date: | 2008-04-08 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Autoregulation of the yeast Sir2 deacetylase by reaction and trapping of a pseudosubstrate motif in the active site To be Published
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5Z4G
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6S3H
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![BU of 6s3h by Molmil](/molmil-images/mine/6s3h) | Crystal structure of helicase Pif1 from Thermus oshimai in complex with ADP-AlF4 and (dT)7ds11bp | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G. | Deposit date: | 2019-06-25 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition. Nucleic Acids Res., 49, 2021
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6I7G
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![BU of 6i7g by Molmil](/molmil-images/mine/6i7g) | Crystal structure of dimeric wild type FICD complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, DI(HYDROXYETHYL)ETHER, ... | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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5ELQ
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5UTI
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![BU of 5uti by Molmil](/molmil-images/mine/5uti) | Crystal Structure of TGT in complex with fragment in preQ1 pocket | Descriptor: | DIMETHYL SULFOXIDE, L-CANAVANINE, Queuine tRNA-ribosyltransferase, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2017-02-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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5DD9
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![BU of 5dd9 by Molmil](/molmil-images/mine/5dd9) | Menin in complex with MI-326 | Descriptor: | 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Menin, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5XLV
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![BU of 5xlv by Molmil](/molmil-images/mine/5xlv) | Mycobacterium tuberculosis Pantothenate kinase mutant F254A | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pantothenate kinase, ... | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase Acta Crystallogr F Struct Biol Commun, 73, 2017
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5UMH
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6RJ8
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![BU of 6rj8 by Molmil](/molmil-images/mine/6rj8) | Structure of the alpha-beta hydrolase CorS from Tabernathe iboga | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | Authors: | Farrow, S.C, Caputi, L, Kamileen, M.O, Bussey, K, Stevenson, C.E.M, Mundy, J, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2019-04-26 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids. Nat.Chem.Biol., 16, 2020
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7CL0
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![BU of 7cl0 by Molmil](/molmil-images/mine/7cl0) | Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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