5ZGX
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3DHA
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![BU of 3dha by Molmil](/molmil-images/mine/3dha) | An Ultral High Resolution Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at An Alternative Site | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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3S6E
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7G05
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![BU of 7g05 by Molmil](/molmil-images/mine/7g05) | Crystal Structure of human FABP4 in complex with 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol | Descriptor: | 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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4F19
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![BU of 4f19 by Molmil](/molmil-images/mine/4f19) | Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 4.5 | Descriptor: | Putative alkaline phosphatase, hydrogen arsenate | Authors: | Elias, M, Wellner, A, Goldin, K, Chabriere, E, Tawfik, D.S. | Deposit date: | 2012-05-06 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The molecular basis of phosphate discrimination in arsenate-rich environments. Nature, 491, 2012
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3OMJ
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![BU of 3omj by Molmil](/molmil-images/mine/3omj) | Structural Basis for Cyclic Py-Im Polyamide Allosteric Inhibition of Nuclear Receptor Binding | Descriptor: | (23R,52R)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone, 5'-D(*CP*(C38)P*AP*GP*TP*AP*CP*TP*GP*G)-3', CALCIUM ION | Authors: | Chenoweth, D.M. | Deposit date: | 2010-08-27 | Release date: | 2010-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Structural basis for cyclic py-im polyamide allosteric inhibition of nuclear receptor binding. J.Am.Chem.Soc., 132, 2010
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1LUG
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![BU of 1lug by Molmil](/molmil-images/mine/1lug) | Full Matrix Error Analysis of Carbonic Anhydrase | Descriptor: | (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, Carbonic Anhydrase II, GLYCEROL, ... | Authors: | Merritt, E.A, Le Trong, I, Behnke, C.A. | Deposit date: | 2002-05-22 | Release date: | 2003-09-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Atomic resolution studies of carbonic anhydrase II. Acta Crystallogr.,Sect.D, 66, 2010
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6IIP
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![BU of 6iip by Molmil](/molmil-images/mine/6iip) | Apo-form structure of the HRP3 PWWP domain | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hepatoma-derived growth factor-related protein 3, SULFATE ION | Authors: | Wang, Z, Tian, W. | Deposit date: | 2018-10-07 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.951 Å) | Cite: | Apo-form structure of the HRP3 PWWP domain Nucleic Acids Res., 2019
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5E7W
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![BU of 5e7w by Molmil](/molmil-images/mine/5e7w) | X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom | Descriptor: | ACETATE ION, Insulin, N-PROPANOL, ... | Authors: | Lisgarten, D.R, Naylor, C.E, Palmer, R.A, Lobley, C.M.C. | Deposit date: | 2015-10-13 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.9519 Å) | Cite: | Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K. Chem Cent J, 11, 2017
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6RKN
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![BU of 6rkn by Molmil](/molmil-images/mine/6rkn) | Human Carbonic Anhydrase II in complex with a fluorinated Benzenesulfonamide. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-FLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-04-30 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.959 Å) | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6I74
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![BU of 6i74 by Molmil](/molmil-images/mine/6i74) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2018-11-15 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.959 Å) | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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5OUK
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![BU of 5ouk by Molmil](/molmil-images/mine/5ouk) | Crystal structure of human AKR1B1 complexed with NADP+ and compound 41 | Descriptor: | 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | Deposit date: | 2017-08-24 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.959 Å) | Cite: | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase. Eur J Med Chem, 152, 2018
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3E4G
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![BU of 3e4g by Molmil](/molmil-images/mine/3e4g) | Crystal structure of bovine coupling Factor B, G28E mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ... | Authors: | Stroud, R.M, Lee, J.K, Belogrudov, G.I. | Deposit date: | 2008-08-11 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Crystal structure of bovine mitochondrial factor B at 0.96-A resolution. Proc.Natl.Acad.Sci.Usa, 105, 2008
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5OUJ
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![BU of 5ouj by Molmil](/molmil-images/mine/5ouj) | Crystal structure of human AKR1B1 complexed with NADP+ and compound 39 | Descriptor: | 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | Deposit date: | 2017-08-24 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase. Eur J Med Chem, 152, 2018
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2XOD
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![BU of 2xod by Molmil](/molmil-images/mine/2xod) | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the oxidised form | Descriptor: | CACODYLATE ION, FLAVIN MONONUCLEOTIDE, NRDI PROTEIN, ... | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2010-08-14 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin FEBS J., 277, 2010
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4BM8
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![BU of 4bm8 by Molmil](/molmil-images/mine/4bm8) | Galectin-3c in complex with Bisamido-thiogalactoside derivate 3 | Descriptor: | (3-Deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide, GALECTIN-3 | Authors: | Noresson, A.L, Oberg, C.T, Engstrom, O, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | Deposit date: | 2013-05-07 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Controlling Protein Conformation Through Electronic Fine-Tuning of Arginine-Arene Interactions: Synthetic, Structural, and Biological Studies To be Published
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7FZ9
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![BU of 7fz9 by Molmil](/molmil-images/mine/7fz9) | Crystal Structure of human FABP4 in complex with N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine | Descriptor: | (3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Kuhne, H, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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7Z8O
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![BU of 7z8o by Molmil](/molmil-images/mine/7z8o) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | Descriptor: | 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ... | Authors: | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | Deposit date: | 2022-03-18 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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4PRT
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6ZX4
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![BU of 6zx4 by Molmil](/molmil-images/mine/6zx4) | Neisseria gonorrhoeae transaldolase | Descriptor: | CITRIC ACID, GLYCEROL, Transaldolase | Authors: | Sautner, V, Rabe von Pappenheim, F, Wensien, M, Tittmann, K. | Deposit date: | 2020-07-29 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
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6RHU
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![BU of 6rhu by Molmil](/molmil-images/mine/6rhu) | Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by chloride anions 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, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | Deposit date: | 2019-04-22 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.96 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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2Z6W
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![BU of 2z6w by Molmil](/molmil-images/mine/2z6w) | Crystal structure of human cyclophilin D in complex with cyclosporin A | Descriptor: | CITRIC ACID, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE | Authors: | Kajitani, K, Fujihashi, M, Kobayashi, Y, Shimizu, S, Tsujimoto, Y, Miki, K. | Deposit date: | 2007-08-09 | Release date: | 2008-04-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Crystal Structure of Human Cyclophilin D in Complex with its Inhibitor, Cyclosporin a at 0.96-A Resolution. Proteins, 70, 2008
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7A33
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6RHX
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![BU of 6rhx by Molmil](/molmil-images/mine/6rhx) | Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by chloride anions at sub-atomic resolution. Third structure of the series with 315 KGy dose. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | Deposit date: | 2019-04-23 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.96 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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7P5R
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![BU of 7p5r by Molmil](/molmil-images/mine/7p5r) | Racemic protein crystal structure of lacticin Q from Lactococcus lactis | Descriptor: | D-Lacticin Q, FORMIC ACID, Lacticin Q | Authors: | Lander, A.J, Li, X, Baumann, P, Rizkallah, P, Luk, L.Y.P, Jin, Y. | Deposit date: | 2021-07-14 | Release date: | 2022-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography. Commun Chem, 6, 2023
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