6YP6
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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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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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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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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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5SP2
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6F81
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![BU of 6f81 by Molmil](/molmil-images/mine/6f81) | AKR1B1 at 0.75 MGy radiation dose. | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Castellvi, A, Juanhuix, J. | Deposit date: | 2017-12-12 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
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5XQV
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![BU of 5xqv by Molmil](/molmil-images/mine/5xqv) | Crystal structure of Notched-fin eelpout type III antifreeze protein A20L mutant (NFE6, AFP), P21 form | Descriptor: | Ice-structuring protein | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | Deposit date: | 2017-06-07 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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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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2GEW
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2BF6
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4KXV
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![BU of 4kxv by Molmil](/molmil-images/mine/4kxv) | Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 1 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, D-XYLITOL-5-PHOSPHATE, ... | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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3VII
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![BU of 3vii by Molmil](/molmil-images/mine/3vii) | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with Bis-Tris | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, GLYCEROL, ... | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | Deposit date: | 2011-10-03 | Release date: | 2012-07-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates Acta Crystallogr.,Sect.D, 68, 2012
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6TD8
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![BU of 6td8 by Molmil](/molmil-images/mine/6td8) | Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | Descriptor: | Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | Deposit date: | 2019-11-08 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) To Be Published
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4MTU
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![BU of 4mtu by Molmil](/molmil-images/mine/4mtu) | beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum | Descriptor: | Beta-alanyl-CoA:ammonia lyase 2, SULFATE ION, ZINC ION | Authors: | Heine, A, Reuter, K. | Deposit date: | 2013-09-20 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | High resolution crystal structure of Clostridium propionicum beta-alanyl-CoA:ammonia lyase, a new member of the "hot dog fold" protein superfamily. Proteins, 82, 2014
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4Q4G
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6FJN
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![BU of 6fjn by Molmil](/molmil-images/mine/6fjn) | Adenovirus species 26 knob protein, 0.97A | Descriptor: | 1,2-ETHANEDIOL, Fiber | Authors: | Rizkallah, P.J, Parker, A.L, Baker, A.T. | Deposit date: | 2018-01-22 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions. Nat Commun, 10, 2019
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6SYE
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4PNO
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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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1ZLB
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![BU of 1zlb by Molmil](/molmil-images/mine/1zlb) | Crystal structure of catalytically-active phospholipase A2 in the absence of calcium | Descriptor: | hypotensive phospholipase A2 | Authors: | Murakami, M.T, Cintra, A.C, Gabdoulkhakov, A, Genov, N, Betzel, C, Arni, R.K. | Deposit date: | 2005-05-05 | Release date: | 2006-04-25 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Insights into metal ion binding in phospholipases A(2): ultra high-resolution crystal structures of an acidic phospholipase A(2) in the Ca(2+) free and bound states. Biochimie, 88, 2006
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2WNA
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1G4I
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![BU of 1g4i by Molmil](/molmil-images/mine/1g4i) | Crystal structure of the bovine pancreatic phospholipase A2 at 0.97A | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Steiner, R.A, Rozeboom, H.J, de Vries, A, Kalk, K.H, Murshudov, G.N, Wilson, K.S, Dijkstra, B.W. | Deposit date: | 2000-10-27 | Release date: | 2001-04-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | X-ray structure of bovine pancreatic phospholipase A2 at atomic resolution. Acta Crystallogr.,Sect.D, 57, 2001
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485D
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5RC2
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![BU of 5rc2 by Molmil](/molmil-images/mine/5rc2) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E11b | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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