8RGE
| Serial synchrotron in plate room temperature structure of Lysozyme. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Thompson, A.J, Hough, M.A, Sanchez-Weatherby, J, Williams, L.J, Sandy, J, Worrall, J.A.R. | Deposit date: | 2023-12-13 | Release date: | 2023-12-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
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7AC4
| Structure of insulin collected by rotation serial crystallography on a COC membrane at a synchrotron source | Descriptor: | Insulin, R-1,2-PROPANEDIOL, SODIUM ION | Authors: | Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M. | Deposit date: | 2020-09-09 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography. Acta Crystallogr D Struct Biol, 77, 2021
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7AC2
| Structure of Hen Egg White Lysozyme collected by rotation serial crystallography on a COC membrane at a synchrotron source | Descriptor: | CHLORIDE ION, Lysozyme, SODIUM ION | Authors: | Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M. | Deposit date: | 2020-09-09 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.507 Å) | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography. Acta Crystallogr D Struct Biol, 77, 2021
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8AFD
| CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a | Descriptor: | (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ... | Authors: | Boettcher, J, Kessler, D. | Deposit date: | 2022-07-16 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.633 Å) | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
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5G5J
| Crystal structure of human CYP3A4 bound to metformin | Descriptor: | CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I. | Deposit date: | 2016-05-25 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria. Cell Chem Biol, 24, 2017
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7A9K
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7A9F
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8AJ4
| X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A') | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene], Lysozyme, ... | Authors: | Paolillo, M, Merlino, A, Ferraro, G. | Deposit date: | 2022-07-27 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme. Inorg.Chem., 61, 2022
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5GIB
| Succinic acid bound trypsin crystallized as dimer | Descriptor: | CALCIUM ION, Cationic trypsin, SUCCINIC ACID | Authors: | Kutumbarao, N.H.V, Manohar, R, KarthiK, L, Malathy, P, Gunasekaran, K, Velmurugan, D. | Deposit date: | 2016-06-22 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Trypsin bound with Succinic acid To Be Published
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6U81
| Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*CP*CP*CP*AP*TP*TP*AP*CP*GP*C)-3'), ... | Authors: | Shi, K, Aihara, H. | Deposit date: | 2019-09-04 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD. Faseb J., 34, 2020
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8AJ3
| X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8,8,8,8-tetrakis($l^{1}-oxidanyl)-2-methyl-3,7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1,5-diene, 8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene], ... | Authors: | Paolillo, M, Merlino, A, Ferraro, G. | Deposit date: | 2022-07-27 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme. Inorg.Chem., 61, 2022
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7ADF
| SFX structure of dehaloperoxidase B in the ferric form | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A. | Deposit date: | 2020-09-14 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | SFX structure of dehaloperoxidase B in the ferric form to be published
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8AJ5
| X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure B) | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION, ... | Authors: | Paolillo, M, Merlino, A, Ferraro, G. | Deposit date: | 2022-07-27 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme. Inorg.Chem., 61, 2022
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4QYH
| CHK1 kinase domain in complex with diazacarbazole GNE-783 | Descriptor: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Wiesmann, C, Wu, P. | Deposit date: | 2014-07-24 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. Bioorg.Med.Chem.Lett., 24, 2014
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6I7U
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5GKB
| Crystal Structure of Fatty Acid-Binding Protein in Brain Tissue of Drosophila melanogaster without citrate inside | Descriptor: | Fatty acid bindin protein, isoform B | Authors: | Cheng, Y.-Y, Huang, Y.-F, Lin, H.-H, Chang, W.W, Lyu, P.-C. | Deposit date: | 2016-07-04 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The ligand-mediated affinity of brain-type fatty acid-binding protein for membranes determines the directionality of lipophilic cargo transport. Biochim Biophys Acta Mol Cell Biol Lipids, 1864, 2019
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4RCD
| Crystal structure of BACE1 in complex with a 2-aminooxazoline 4-azaxanthene inhibitor | Descriptor: | (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2014-09-15 | Release date: | 2015-01-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibitors of beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718). J.Med.Chem., 57, 2014
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7ADG
| Cocktail experiment G: fragments 216 and 338 at 90 mM concentration in complex with Endothiapepsin | Descriptor: | 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H. | Deposit date: | 2020-09-14 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.0794636 Å) | Cite: | Comparison of Cocktail Screening in X-Ray Crystallography vs NMR To Be Published
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7A9M
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8B02
| Crystal structure of the dsRBD domain of tRNA-dihydrouridine(20) synthase from Amphimedon queenslandica | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, DRBM domain-containing protein, ... | Authors: | Pecqueur, L, Faivre, B, Hamdane, D. | Deposit date: | 2022-09-07 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.676 Å) | Cite: | Evolutionary Diversity of Dus2 Enzymes Reveals Novel Structural and Functional Features among Members of the RNA Dihydrouridine Synthases Family. Biomolecules, 12, 2022
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4RDS
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7ACP
| Serial synchrotron structure of dehaloperoxidase B | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A. | Deposit date: | 2020-09-11 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | SFX structure of dehaloperoxidase B in the ferric form to be published
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7ADQ
| Serial Laue crystallography structure of dehaloperoxidase B from Amphitrite ornata | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Moreno-Chicano, T.M, Ebrahim, A.E, Srajer, V, Henning, R.W, Doak, B.C, Trebbin, M, Monteiro, D.C.F, Hough, M.A. | Deposit date: | 2020-09-15 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature. Iucrj, 9, 2022
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7ADX
| SFX structure of dehaloperoxidase B in the oxyferrous form | Descriptor: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Moreno Chicano, T, Ebrahim, A, Worrall, J.W, Axford, D.A, Owada, S, Tosha, T, Sugimoto, H, Strange, R.W, Owen, R.L, Hough, M.A. | Deposit date: | 2020-09-16 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | SFX structure of dehaloperoxidase B from Amphitrite ornata in the oxyferrous form To Be Published
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7A1X
| KRASG12C GDP form in complex with Cpd1 | Descriptor: | 3-(imidazol-1-ylmethyl)-1~{H}-indole, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Mathieu, M, Steier, V. | Deposit date: | 2020-08-14 | Release date: | 2021-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
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