1M1Q
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![BU of 1m1q by Molmil](/molmil-images/mine/1m1q) | P222 oxidized structure of the tetraheme cytochrome c from Shewanella oneidensis MR1 | Descriptor: | HEME C, SULFATE ION, small tetraheme cytochrome c | Authors: | Leys, D, Meyer, T.E, Tsapin, A.I, Nealson, K.H, Cusanovich, M.A, Van Beeumen, J.J. | Deposit date: | 2002-06-20 | Release date: | 2002-08-14 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Crystal structures at atomic resolution reveal the novel concept of 'electron-harvesting' as a role for the small tetraheme cytochrome c J.Biol.Chem., 277, 2002
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2AYW
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![BU of 2ayw by Molmil](/molmil-images/mine/2ayw) | Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID, BENZAMIDINE, ... | Authors: | Sherawat, M, Kaur, P, Perbandt, M, Betzel, C, Slusarchyk, W.A, Bisacchi, G.S, Chang, C, Jacobson, B.L, Einspahr, H.M, Singh, T.P. | Deposit date: | 2005-09-09 | Release date: | 2006-01-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Structure of the complex of trypsin with a highly potent synthetic inhibitor at 0.97 A resolution. Acta Crystallogr.,Sect.D, 63, 2007
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5HQI
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![BU of 5hqi by Molmil](/molmil-images/mine/5hqi) | Insulin with proline analog HzP at position B28 in the T2 state | Descriptor: | Insulin A-Chain, Insulin B-Chain | Authors: | Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. | Deposit date: | 2016-01-21 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation. J. Am. Chem. Soc., 139, 2017
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7A7Y
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6QLR
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![BU of 6qlr by Molmil](/molmil-images/mine/6qlr) | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 5 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
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7RWG
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![BU of 7rwg by Molmil](/molmil-images/mine/7rwg) | "Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192 | Descriptor: | (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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3EO6
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8B5M
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![BU of 8b5m by Molmil](/molmil-images/mine/8b5m) | Crystal structure of GH47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with cyclosulfamidate inhibitor | Descriptor: | (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, CALCIUM ION, Mannosyl-oligosaccharide 1,2-alpha-mannosidase, ... | Authors: | Males, A, Davies, G.J. | Deposit date: | 2022-09-23 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | GH47 and Cyclosulfamidate To Be Published
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6RGP
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![BU of 6rgp by Molmil](/molmil-images/mine/6rgp) | Single crystal serial study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi at sub-atomic resolution. Second structure of the series with 165 KGy dose. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase 2, ... | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | Deposit date: | 2019-04-17 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism. Acta Crystallogr D Struct Biol, 75, 2019
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6X7J
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7A2Y
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5XU2
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![BU of 5xu2 by Molmil](/molmil-images/mine/5xu2) | Crystal Structure of Transketolase in complex with TPP_III and fructose-6-phosphate from Pichia Stipitis | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-22 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions. Chembiochem, 19, 2018
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1F94
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![BU of 1f94 by Molmil](/molmil-images/mine/1f94) | THE 0.97 RESOLUTION STRUCTURE OF BUCANDIN, A NOVEL TOXIN ISOLATED FROM THE MALAYAN KRAIT | Descriptor: | BUCANDIN | Authors: | Kuhn, P, Deacon, A.M, Comoso, S, Rajaseger, G, Kini, R.M, Uson, I, Kolatkar, P.R. | Deposit date: | 2000-07-06 | Release date: | 2000-07-26 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The atomic resolution structure of bucandin, a novel toxin isolated from the Malayan krait, determined by direct methods. Acta Crystallogr.,Sect.D, 56, 2000
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6UN2
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8A3H
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![BU of 8a3h by Molmil](/molmil-images/mine/8a3h) | Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution | Descriptor: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, ACETATE ION, GLYCEROL, ... | Authors: | Varrot, A, Schulein, M, Pipelier, M, Vasella, A, Davies, G.J. | Deposit date: | 1999-01-20 | Release date: | 2000-01-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution J.Am.Chem.Soc., 121, 1999
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5XSM
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![BU of 5xsm by Molmil](/molmil-images/mine/5xsm) | Crystal Structure of Transketolase in complex with TPP intermediate IV from Pichia Stipitis | Descriptor: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-14 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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4Q4G
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2NMZ
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![BU of 2nmz by Molmil](/molmil-images/mine/2nmz) | Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEASE, SULFATE ION | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-23 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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6YIW
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6YP6
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8JEA
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![BU of 8jea by Molmil](/molmil-images/mine/8jea) | Crystal structure of CGL1 from Crassostrea gigas, mannotriose-bound form (CGL1/Man(alpha)1-2Man(alpha)1-2Man) | Descriptor: | ACETIC ACID, CACODYLATE ION, MAGNESIUM ION, ... | Authors: | Unno, H, Hatakeyama, T. | Deposit date: | 2023-05-15 | Release date: | 2023-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Mannose oligosaccharide recognition of CGL1, a mannose-specific lectin containing DM9 motifs from Crassostrea gigas, revealed by X-ray crystallographic analysis. J.Biochem., 175, 2023
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8PGP
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![BU of 8pgp by Molmil](/molmil-images/mine/8pgp) | Crystal structure of the metallo-beta-lactamase VIM1 with 3193 | Descriptor: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3193 To Be Published
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4MJ9
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![BU of 4mj9 by Molmil](/molmil-images/mine/4mj9) | lambda-[Ru(TAP)2(dppz-10-Me)]2+ bound to a synthetic DNA oligomer | Descriptor: | (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, CHLORIDE ION, ... | Authors: | Hall, J.P, Cardin, C.J. | Deposit date: | 2013-09-03 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru dppz Complexes to DNA Organometallics, 2015
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2WNA
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7SPX
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![BU of 7spx by Molmil](/molmil-images/mine/7spx) | Crystal structure of photoactive yellow protein (PYP); F28oCNF construct | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Weaver, J.B, Kirsh, J.M, Boxer, S.G. | Deposit date: | 2021-11-03 | Release date: | 2022-05-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments. J.Am.Chem.Soc., 144, 2022
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