6ICM
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![BU of 6icm by Molmil](/molmil-images/mine/6icm) | Pseudomonas putida CBB5 NdmA with ferredoxin domain of NdmD | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Methylxanthine N1-demethylase NdmA, ... | Authors: | Kim, J.H, Kim, B.H, Kang, S.Y, Song, H.K. | Deposit date: | 2018-09-06 | Release date: | 2019-09-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.961 Å) | Cite: | Structural and Mechanistic Insights into Caffeine Degradation by the Bacterial N-Demethylase Complex. J.Mol.Biol., 431, 2019
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5M70
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![BU of 5m70 by Molmil](/molmil-images/mine/5m70) | Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | Authors: | Pellegrini, E, Bowler, M.W. | Deposit date: | 2016-10-26 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angew. Chem. Int. Ed. Engl., 56, 2017
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6ZRW
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![BU of 6zrw by Molmil](/molmil-images/mine/6zrw) | Crystal structure of the fungal lectin CML1 | Descriptor: | ACETATE ION, GLYCEROL, Mucin-binding lectin 1, ... | Authors: | Bleuler-Martinez, S, Olieric, V, Sharpe, M, Capitani, G, Aebi, M, Kuenzler, M. | Deposit date: | 2020-07-15 | Release date: | 2021-07-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity. Glycobiology, 32, 2022
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5MDJ
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![BU of 5mdj by Molmil](/molmil-images/mine/5mdj) | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in a its as-isolated high-pressurized form | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | Authors: | Schmidt, A, Kalms, J, Scheerer, P. | Deposit date: | 2016-11-11 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5IEE
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![BU of 5iee by Molmil](/molmil-images/mine/5iee) | Murine endoplasmic reticulum alpha-glucosidase II with 1-deoxynojirimycin | Descriptor: | 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | Deposit date: | 2016-02-25 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals. Proc.Natl.Acad.Sci.USA, 113, 2016
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6UH9
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![BU of 6uh9 by Molmil](/molmil-images/mine/6uh9) | Crystal structure of DAD2 D166A mutant | Descriptor: | Decreased Apical Dominance 2, TETRAETHYLENE GLYCOL | Authors: | Sharma, P, Hamiaux, C, Snowden, K.C. | Deposit date: | 2019-09-27 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Flexibility of the petunia strigolactone receptor DAD2 promotes its interaction with signaling partners. J.Biol.Chem., 295, 2020
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6OZS
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![BU of 6ozs by Molmil](/molmil-images/mine/6ozs) | |
5M8X
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![BU of 5m8x by Molmil](/molmil-images/mine/5m8x) | PCE reductive dehalogenase from S. multivorans in complex with 2,4,5-trichlorophenol | Descriptor: | 2,4,5-trichlorophenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.869 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5MAA
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![BU of 5maa by Molmil](/molmil-images/mine/5maa) | PCE reductive dehalogenase from S. multivorans in complex with 3-bromophenol | Descriptor: | 3-bromophenol, 5-Methoxybenzimidazolyl-norcobamide, BENZAMIDINE, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-11-03 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.686 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5ZR2
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4GZ7
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![BU of 4gz7 by Molmil](/molmil-images/mine/4gz7) | The crystal structure of Apo-dihydropyrimidinase from Tetraodon nigroviridis | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, dihydropyrimidinase | Authors: | Hsien, Y.C, Chen, M.C, Hsu, C.C, Chan, S.I, Yang, Y.S, Chen, C.J. | Deposit date: | 2012-09-06 | Release date: | 2013-09-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lysine Carboxylation: Metal and Structure Requirements for Post-translational Modification To be Published
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5ZRO
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![BU of 5zro by Molmil](/molmil-images/mine/5zro) | M. smegmatis antimutator protein MutT2 in complex with 5mdCTP | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), Putative mutator protein MutT2/NUDIX hydrolase | Authors: | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | Deposit date: | 2018-04-24 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2. J.Struct.Biol., 204, 2018
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5ID9
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![BU of 5id9 by Molmil](/molmil-images/mine/5id9) | Crystal structure of equine serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA) | Descriptor: | (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, FORMIC ACID, MALONATE ION, ... | Authors: | Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G. | Deposit date: | 2016-02-24 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties. Biosci.Rep., 36, 2016
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5M8U
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![BU of 5m8u by Molmil](/molmil-images/mine/5m8u) | PCE reductive dehalogenase from S. multivorans in complex with 4-bromophenol | Descriptor: | 4-BROMOPHENOL, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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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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5M8Z
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![BU of 5m8z by Molmil](/molmil-images/mine/5m8z) | PCE reductive dehalogenase from S. multivorans in complex with 2,3-difluorophenol | Descriptor: | 2,3-bis(fluoranyl)phenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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6IM0
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![BU of 6im0 by Molmil](/molmil-images/mine/6im0) | Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1 | Descriptor: | BICARBONATE ION, CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), ... | Authors: | Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H. | Deposit date: | 2018-10-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1. Mol.Cells, 42, 2019
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6P9L
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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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1FCY
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![BU of 1fcy by Molmil](/molmil-images/mine/1fcy) | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARBETA/GAMMA-SELECTIVE RETINOID CD564 | Descriptor: | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | Authors: | Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-07-19 | Release date: | 2000-09-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis for isotype selectivity of the human retinoic acid nuclear receptor. J.Mol.Biol., 302, 2000
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8CDQ
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![BU of 8cdq by Molmil](/molmil-images/mine/8cdq) | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S | Descriptor: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ... | Authors: | Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2023-01-31 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Nat Commun, 14, 2023
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6P9K
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6IG4
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![BU of 6ig4 by Molmil](/molmil-images/mine/6ig4) | Structure of mitochondrial CDP-DAG synthase Tam41, delta 74 | Descriptor: | PLATINUM (II) ION, Phosphatidate cytidylyltransferase, mitochondrial, ... | Authors: | Jiao, H.Z, Yin, Y, Liu, Z.F. | Deposit date: | 2018-09-23 | Release date: | 2019-07-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.261 Å) | Cite: | Structures of the Mitochondrial CDP-DAG Synthase Tam41 Suggest a Potential Lipid Substrate Pathway from Membrane to the Active Site. Structure, 27, 2019
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1FQ5
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![BU of 1fq5 by Molmil](/molmil-images/mine/1fq5) | X-ray structure of a cyclic statine inhibitor PD-129,541 bound to yeast proteinase A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide, SACCHAROPEPSIN, ... | Authors: | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | Deposit date: | 2000-09-03 | Release date: | 2000-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity. J.Mol.Biol., 303, 2000
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7A2Q
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![BU of 7a2q by Molmil](/molmil-images/mine/7a2q) | |