5D2A
 
 | | Bifunctional dendrimers | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | | Authors: | Michaud, G, Visini, R, Stocker, A, Darbre, T, Reymond, J.L. | | Deposit date: | 2015-08-05 | | Release date: | 2016-02-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.134 Å) | | Cite: | Overcoming antibiotic resistance inPseudomonas aeruginosabiofilms using glycopeptide dendrimers.
Chem Sci, 7, 2016
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7NW2
 | | Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47 | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium | | Deposit date: | 2021-03-16 | | Release date: | 2021-07-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor.
Cell Chem Biol, 28, 2021
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8PKC
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5JPM
 | | Structure of the complex of human complement C4 with MASP-2 rebuilt using iMDFF | | Descriptor: | Complement C4-A, Mannan-binding lectin serine protease 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Croll, T.I, Andersen, G.R. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
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8EJX
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8OT2
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ... | | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | Deposit date: | 2023-04-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
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7PU1
 | | High resolution X-ray structure of Thermoascus aurantiacus LPMO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Banerjee, S, Frandsen, K.E.H, Singh, R.K, Bjerrum, M.J, Lo Leggio, L. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases.
Biomolecules, 12, 2022
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8GW5
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7Z70
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6Y86
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7O07
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4WAK
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4WAM
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4WJX
 | | Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution | | Descriptor: | Chitotriosidase-1, L(+)-TARTARIC ACID | | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | | Deposit date: | 2014-10-01 | | Release date: | 2015-07-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
Acta Crystallogr.,Sect.D, 71, 2015
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4WEV
 | | Crystal structure of human AKR1B10 complexed with NADP+ and sulindac | | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Crespo, I, Porte, S, Pares, X, Farres, J, Podjarny, A. | | Deposit date: | 2014-09-11 | | Release date: | 2015-01-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.453 Å) | | Cite: | Structural analysis of sulindac as an inhibitor of aldose reductase and AKR1B10.
Chem.Biol.Interact., 234, 2015
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4TYD
 | | Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease | | Descriptor: | (4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide, CHLORIDE ION, NS3 protease, ... | | Authors: | Parsy, C. | | Deposit date: | 2014-07-08 | | Release date: | 2014-09-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease.
Bioorg.Med.Chem.Lett., 24, 2014
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4WKA
 | | Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 A resolution | | Descriptor: | Chitotriosidase-1, L(+)-TARTARIC ACID | | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | | Deposit date: | 2014-10-02 | | Release date: | 2015-07-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
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4WU0
 | | Structural Analysis of C. acetobutylicum ATCC 824 Glycoside Hydrolase From Family 105 | | Descriptor: | Similar to yteR (Bacilus subtilis) | | Authors: | Germane, K.L, Servinsky, M.D, Gerlach, E.S, Sund, C.J, Hurley, M.M. | | Deposit date: | 2014-10-30 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural analysis of Clostridium acetobutylicum ATCC 824 glycoside hydrolase from CAZy family GH105.
Acta Crystallogr.,Sect.F, 71, 2015
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4UP1
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4OA5
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4XJB
 | | X-ray structure of Lysozyme1 | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-06-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
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4XJG
 | | X-ray structure of Lysozyme B2 | | Descriptor: | BROMIDE ION, Lysozyme C, SODIUM ION | | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-06-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
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4XJI
 | | X-ray structure of LysozymeS2 | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-06-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
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4XJD
 | | X-ray structure of Lysozyme2 | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-06-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
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4XJH
 | | X-ray structure of LysozymeS1 | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-06-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
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