1GWR
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8BQR
| Hen Egg-White Lysozyme (HEWL) complexed with biotin-functionalised Anderson-Evans polyoxometalate | Descriptor: | Anderson-Evans polyoxometalate (biotin-functionalised), CALCIUM ION, Lysozyme C | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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8BR9
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8BBS
| Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor | Descriptor: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P. | Deposit date: | 2022-10-14 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis. Rsc Med Chem, 14, 2023
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5LSV
| X-ray crystal structure of AA13 LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2016-09-05 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder. Acta Crystallogr D Struct Biol, 73, 2017
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3TS4
| Human MMP12 in complex with L-glutamate motif inhibitor | Descriptor: | CALCIUM ION, GLYCEROL, IMIDAZOLE, ... | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L. | Deposit date: | 2011-09-12 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.587 Å) | Cite: | Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins. J.Biol.Chem., 287, 2012
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8HTY
| Candida boidinii Formate Dehydrogenase Crystal Structure at 1.4 Angstrom Resolution | Descriptor: | Formate dehydrogenase, SULFATE ION | Authors: | Gul, M, Yuksel, B, Bulut, H, DeMirci, H. | Deposit date: | 2022-12-22 | Release date: | 2023-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural analysis of wild-type and Val120Thr mutant Candida boidinii formate dehydrogenase by X-ray crystallography. Acta Crystallogr D Struct Biol, 79, 2023
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8BQT
| Hen Egg-White Lysozyme (HEWL) complexed with two methyl-functionalised Anderson-Evans polyoxometalates | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-O(24)-C(10) cluster | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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8I7L
| Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with a novel inhibitor | Descriptor: | 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid, Indoleamine 2,3-dioxygenase 1, THIOSULFATE | Authors: | Li, K, Liu, W, Dong, X. | Deposit date: | 2023-02-01 | Release date: | 2023-02-15 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Apo-Form Selective Inhibition of IDO for Tumor Immunotherapy. J Immunol., 209, 2022
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5LSH
| human lysozyme in complex with a tetrasaccharide fragment of the O-chain of LPS from Klebsiella pneumoniae | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Zhang, R, Nifantiev, N.E, Krylov, V, Luetteke, T, Scheidig, A.J, Siebert, H.-C. | Deposit date: | 2016-08-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.061 Å) | Cite: | Lysozyme's lectin-like characteristics facilitates its immune defense function. Q. Rev. Biophys., 50, 2017
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2ZO1
| Mouse NP95 SRA domain DNA specific complex 2 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), ... | Authors: | Hashimoto, H, Horton, J.R, Cheng, X. | Deposit date: | 2008-05-05 | Release date: | 2008-09-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix Nature, 455, 2008
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7LOG
| T4 lysozyme mutant L99A in complex with 3-butylpyridine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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3SQX
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7LS3
| Co-complex CYP46A1 with 8114 (3f) | Descriptor: | (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lane, W, Yano, J. | Deposit date: | 2021-02-17 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem., 64, 2021
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3MMA
| Dissimilatory sulfite reductase phosphate complex | Descriptor: | IRON/SULFUR CLUSTER, PHOSPHATE ION, SIROHEME, ... | Authors: | Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U. | Deposit date: | 2010-04-19 | Release date: | 2010-07-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus. Biochemistry, 49, 2010
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8DYE
| Crystal structure of human SDHA-SDHAF4 assembly intermediate | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | Deposit date: | 2022-08-04 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners. Nat Commun, 15, 2024
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8I5Q
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5LTW
| Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 | Descriptor: | 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heat shock protein beta-6, ... | Authors: | Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V. | Deposit date: | 2016-09-07 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator. Structure, 25, 2017
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8I5S
| Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with 2-deoxy-2-fluoroglucoside | Descriptor: | 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, ... | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | Deposit date: | 2023-01-26 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. Acs Catalysis, 13, 2023
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7LRL
| Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935)) | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone | Authors: | Lane, W, Yano, J. | Deposit date: | 2021-02-16 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem., 64, 2021
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8BCR
| DENV3 Methyltransferase in complexed with AT-9010 and SAH | Descriptor: | Genome polyprotein, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Gauffre, P, Fattorini, V, Canard, B, Ferron, F. | Deposit date: | 2022-10-17 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AT-752 targets multiple sites and activities on the Dengue virus replication enzyme NS5. Antiviral Res., 212, 2023
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8DYD
| Crystal structure of human SDHA-SDHAF2-SDHAF4 assembly intermediate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | Deposit date: | 2022-08-04 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners. Nat Commun, 15, 2024
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8P7H
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1,2-ETHANEDIOL, 2-methylidene-1,3-dioxane-4,4-diol, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.774 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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3SVV
| Crystal Structure of T338C c-Src covalently bound to vinylsulfonamide-pyrazolopyrimidine 9 | Descriptor: | N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Garske, A.L, Peters, U, Cortesi, A, Perez, J, Shokat, K.M. | Deposit date: | 2011-07-12 | Release date: | 2011-08-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Chemical genetic strategy for targeting protein kinases based on covalent complementarity. Proc.Natl.Acad.Sci.USA, 108, 2011
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8IDQ
| Crystal structure of reducing-end xylose-releasing exoxylanase in GH30 from Talaromyces cellulolyticus with xylose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Nakamichi, Y, Watanabe, M, Fujii, T, Inoue, H, Morita, T. | Deposit date: | 2023-02-14 | Release date: | 2023-05-17 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30. Proteins, 91, 2023
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