6UBZ
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![BU of 6ubz by Molmil](/molmil-images/mine/6ubz) | Crystal structure of D678A GoxA bound to glycine at pH 5.5 | Descriptor: | GLYCINE, MAGNESIUM ION, Uncharacterized protein GoxA | Authors: | Yukl, E.T. | Deposit date: | 2019-09-13 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase. J.Biol.Chem., 294, 2019
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4HTI
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1IHN
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8C8T
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![BU of 8c8t by Molmil](/molmil-images/mine/8c8t) | cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with bNAbs EPTC112 and 3BNC117 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | Authors: | Baquero, E, Molinos-Albert, L, Mouquet, H. | Deposit date: | 2023-01-21 | Release date: | 2023-07-05 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Anti-V1/V3-glycan broadly HIV-1 neutralizing antibodies in a post-treatment controller. Cell Host Microbe, 31, 2023
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8CH4
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![BU of 8ch4 by Molmil](/molmil-images/mine/8ch4) | Crystal structure of the ring cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp. | Descriptor: | 5-nitrosalicylic acid 1,2-dioxygenase, FE (III) ION | Authors: | Ferraroni, M, Stolz, A, Eppinger, E. | Deposit date: | 2023-02-07 | Release date: | 2023-07-05 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the monocupin ring-cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp. Acta Crystallogr D Struct Biol, 79, 2023
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6EB8
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6E5D
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4PHN
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![BU of 4phn by Molmil](/molmil-images/mine/4phn) | The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids | Descriptor: | CALCIUM ION, Calpain small subunit 1 | Authors: | Allemann, R.K, Rizkallah, P.J, Adams, S.E, Miller, D.J, Hallett, M.B. | Deposit date: | 2014-05-06 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids. J.Struct.Biol., 187, 2014
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4PS0
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3EIW
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6EF6
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![BU of 6ef6 by Molmil](/molmil-images/mine/6ef6) | Structure of the microcompartment-associated aminopropanol kinase | Descriptor: | (2R)-1-methoxypropan-2-amine, ACETATE ION, Aminoglycoside phosphotransferase, ... | Authors: | Mallette, E, Kimber, M.S. | Deposit date: | 2018-08-16 | Release date: | 2018-10-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and kinetic characterization of (S)-1-amino-2-propanol kinase from the aminoacetone utilization microcompartment ofMycobacterium smegmatis. J.Biol.Chem., 293, 2018
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8CR6
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![BU of 8cr6 by Molmil](/molmil-images/mine/8cr6) | mouse Interleukin-12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit alpha, Interleukin-12 subunit beta, ... | Authors: | Merceron, R, Felix, J, Lambert, E, Bloch, Y, Savvides, S.N. | Deposit date: | 2023-03-07 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23. Nat.Struct.Mol.Biol., 31, 2024
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4HLW
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![BU of 4hlw by Molmil](/molmil-images/mine/4hlw) | Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzoimidazole derivatives. | Descriptor: | 2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole, Androgen receptor, GLYCEROL, ... | Authors: | Ravi, S.N.M, Leblanc, E, Axerio-Cilies, P, Labriere, C, Frewin, K, Hassona, M.D.H, Lack, N.A, Han, F.Q, Guns, E.S, Young, R, Ban, F, Rennie, P.S, Cherkasov, A. | Deposit date: | 2012-10-17 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting the Binding Function 3 (BF3) Site of the Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole Derivatives. J.Med.Chem., 56, 2013
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6U9I
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![BU of 6u9i by Molmil](/molmil-images/mine/6u9i) | Crystal structure of BvnE pinacolase from Penicillium brevicompactum | Descriptor: | BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Ye, Y, Du, L, Zhang, X, Newmister, S.A, McCauley, M, Alegre-Requena, J.V, Zhang, W, Mu, S, Minami, A, Fraley, A.E, Adrover-Castellano, M.L, Carney, N, Shende, V.V, Oikawa, H, Kato, H, Tsukamoto, S, Paton, R.S, Williams, R.M, Sherman, D.H, Li, S. | Deposit date: | 2019-09-09 | Release date: | 2020-09-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.777 Å) | Cite: | Fungal-derived brevianamide assembly by a stereoselective semipinacolase. Nat Catal, 3, 2020
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6U43
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8CON
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![BU of 8con by Molmil](/molmil-images/mine/8con) | Crystal structure of alcohol dehydrogenase from Arabidopsis thaliana in complex with NADH | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase class-P, ... | Authors: | Fermani, S, Fanti, S, Carloni, G, Falini, G, Meloni, M, Zaffagnini, M. | Deposit date: | 2023-02-28 | Release date: | 2024-02-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity. Plant J., 118, 2024
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8CEX
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4HQI
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![BU of 4hqi by Molmil](/molmil-images/mine/4hqi) | Structure of O6-Benzyl-2'-deoxyguanosine opposite perimidinone-derived synthetic nucleoside in DNA duplex | Descriptor: | SPERMINE, STRONTIUM ION, Short modified nucleic acids | Authors: | Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P. | Deposit date: | 2012-10-25 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction. Nucleic Acids Res., 41, 2013
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3EAH
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![BU of 3eah by Molmil](/molmil-images/mine/3eah) | Structure of inhibited human eNOS oxygenase domain | Descriptor: | (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-25 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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4PKL
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![BU of 4pkl by Molmil](/molmil-images/mine/4pkl) | Bromodomain of Trypanosoma brucei BDF2 With IBET-151 | Descriptor: | 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, Bromodomain factor 2, CHLORIDE ION, ... | Authors: | Debler, E.W. | Deposit date: | 2014-05-15 | Release date: | 2015-11-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.251 Å) | Cite: | Bromodomain Proteins Contribute to Maintenance of Bloodstream Form Stage Identity in the African Trypanosome. Plos Biol., 13, 2015
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2IO6
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![BU of 2io6 by Molmil](/molmil-images/mine/2io6) | Wee1 kinase complexed with inhibitor PD330961 | Descriptor: | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Wee1-like protein kinase | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | Deposit date: | 2006-10-10 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases. Eur.J.Med.Chem., 43, 2008
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2R5F
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![BU of 2r5f by Molmil](/molmil-images/mine/2r5f) | Putative sugar-binding domain of transcriptional regulator DeoR from Pseudomonas syringae pv. tomato | Descriptor: | SULFATE ION, Transcriptional regulator, putative | Authors: | Cuff, M.E, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-09-03 | Release date: | 2007-09-18 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Putative sugar-binding domain of trancsriptional regulator DeoR from Pseudomonas syringae pv. tomato. TO BE PUBLISHED
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8CEY
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![BU of 8cey by Molmil](/molmil-images/mine/8cey) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233 | Descriptor: | N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide | Authors: | Kosenina, S, Scaletti, E.R, Stenmark, P. | Deposit date: | 2023-02-02 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233 To Be Published
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2R9P
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4PRZ
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![BU of 4prz by Molmil](/molmil-images/mine/4prz) | |