8DCT
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![BU of 8dct by Molmil](/molmil-images/mine/8dct) | Lysozyme cluster 3 dual apo structure | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
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5TCY
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![BU of 5tcy by Molmil](/molmil-images/mine/5tcy) | A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with CeuE (H227L variant), a periplasmic protein from Campylobacter jejuni. | Descriptor: | Enterochelin uptake periplasmic binding protein, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) | Authors: | Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2016-09-16 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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8DHH
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![BU of 8dhh by Molmil](/molmil-images/mine/8dhh) | DHODH IN COMPLEX WITH LIGAND 29 | Descriptor: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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8A26
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![BU of 8a26 by Molmil](/molmil-images/mine/8a26) | Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with palmitate | Descriptor: | (R,R)-2,3-BUTANEDIOL, Lysophospholipase A, MALONIC ACID, ... | Authors: | Diwo, M.G, Blankenfeldt, W. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA. Mol.Microbiol., 121, 2024
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6B9S
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8A1Y
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![BU of 8a1y by Molmil](/molmil-images/mine/8a1y) | Sodium pumping NADH-quinone oxidoreductase with inhibitor HQNO | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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8DCW
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![BU of 8dcw by Molmil](/molmil-images/mine/8dcw) | Lysozyme cluster 0062 (NAG and benzamidine ligands) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
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8A1R
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![BU of 8a1r by Molmil](/molmil-images/mine/8a1r) | cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo. Nat Commun, 14, 2023
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4PXN
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![BU of 4pxn by Molmil](/molmil-images/mine/4pxn) | Structure of Zm ALDH7 in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Uncharacterized protein | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2014-03-24 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7. Biochem.J., 468, 2015
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8DL4
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![BU of 8dl4 by Molmil](/molmil-images/mine/8dl4) | S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR | Descriptor: | 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | Authors: | Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. | Deposit date: | 2022-07-06 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR To Be Published
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4QMA
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![BU of 4qma by Molmil](/molmil-images/mine/4qma) | Crystal Structure of a Putative Cysteine Dioxygnase From Ralstonia eutropha: An Alternative Modeling of 2GM6 from JCSG Target 361076 | Descriptor: | 1,2-ETHANEDIOL, Cysteine dioxygenase type I, FE (III) ION, ... | Authors: | Hartman, S.H, Driggers, C.M, Karplus, P.A, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2014-06-15 | Release date: | 2014-11-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of Arg- and Gln-type bacterial cysteine dioxygenase homologs. Protein Sci., 24, 2015
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7ZY3
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![BU of 7zy3 by Molmil](/molmil-images/mine/7zy3) | Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation | Descriptor: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F. | Deposit date: | 2022-05-23 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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8DCU
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![BU of 8dcu by Molmil](/molmil-images/mine/8dcu) | Lysozyme cluster 0028 (benzamidine ligand) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
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6BB2
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![BU of 6bb2 by Molmil](/molmil-images/mine/6bb2) | Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | Descriptor: | (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2017-10-16 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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3WGT
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![BU of 3wgt by Molmil](/molmil-images/mine/3wgt) | Crystal structure of D-amino acid oxidase mutant | Descriptor: | (1R)-1-phenylethanamine, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Yasukawa, K, Nakano, S, Asano, Y. | Deposit date: | 2013-08-09 | Release date: | 2014-04-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Tailoring D-amino acid oxidase from the pig kidney to R-stereoselective amine oxidase and its use in the deracemization of alpha-methylbenzylamine. Angew.Chem.Int.Ed.Engl., 53, 2014
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5TEK
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![BU of 5tek by Molmil](/molmil-images/mine/5tek) | Apo Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Mycobacterium tuberculosis | Descriptor: | 4-hydroxy-tetrahydrodipicolinate reductase, CHLORIDE ION, SODIUM ION, ... | Authors: | Mank, N, Pote, S, Arnette, K, Klapper, V, Chruszcz, M. | Deposit date: | 2016-09-21 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.01 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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3WH2
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![BU of 3wh2 by Molmil](/molmil-images/mine/3wh2) | Human Mincle in complex with citrate | Descriptor: | C-type lectin domain family 4 member E, CALCIUM ION, CITRATE ANION | Authors: | Furukawa, A, Kamishikiryo, J, Mori, D, Toyonaga, K, Okabe, Y, Toji, A, Kanda, R, Miyake, Y, Ose, T, Yamasaki, S, Maenaka, K. | Deposit date: | 2013-08-21 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural analysis for glycolipid recognition by the C-type lectins Mincle and MCL Proc.Natl.Acad.Sci.USA, 110, 2013
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5M5D
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![BU of 5m5d by Molmil](/molmil-images/mine/5m5d) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2016-10-21 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
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4Q0W
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![BU of 4q0w by Molmil](/molmil-images/mine/4q0w) | he catalytic core of Rad2 in complex with DNA substrate (complex II) | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*TP*AP*GP*GP*TP*GP*GP*AP*CP*GP*GP*AP*TP*CP*AP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*GP*AP*TP*CP*CP*GP*TP*CP*CP*AP*CP*CP*TP*TP*T)-3'), ... | Authors: | Mietus, M, Nowak, E, Jaciuk, M, Kustosz, P, Nowotny, M. | Deposit date: | 2014-04-02 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding. Nucleic Acids Res., 42, 2014
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3WHD
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![BU of 3whd by Molmil](/molmil-images/mine/3whd) | C-type lectin, human MCL | Descriptor: | C-type lectin domain family 4 member D, CALCIUM ION | Authors: | Furukawa, A, Kamishikiryo, J, Mori, D, Toyonaga, K, Okabe, Y, Toji, A, Kanda, R, Miyake, Y, Ose, T, Yamasaki, S, Maenaka, K. | Deposit date: | 2013-08-24 | Release date: | 2013-10-23 | Last modified: | 2013-12-11 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural analysis for glycolipid recognition by the C-type lectins Mincle and MCL Proc.Natl.Acad.Sci.USA, 110, 2013
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5T99
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8DHG
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![BU of 8dhg by Molmil](/molmil-images/mine/8dhg) | DHODH IN COMPLEX WITH LIGAND 19 | Descriptor: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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8D46
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5LDH
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8A91
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![BU of 8a91 by Molmil](/molmil-images/mine/8a91) | |