5EVK
| Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319 | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.627 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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6S9M
| Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKITW | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKITW, ... | Authors: | Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A. | Deposit date: | 2019-07-15 | Release date: | 2020-02-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Design of a Peptide Lock for Modular Peptide Binders. Acs Chem.Biol., 15, 2020
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5F0E
| Murine endoplasmic reticulum alpha-glucosidase II | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | Deposit date: | 2015-11-27 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals. Proc.Natl.Acad.Sci.USA, 113, 2016
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6IQC
| Wild-type Programmed Cell Death 5 protein from Sulfolobus solfataricus | Descriptor: | DNA-binding protein SSO0352, SODIUM ION, TETRAETHYLENE GLYCOL | Authors: | Chen, C.Y, Lin, K.F, Hsu, C.Y, Tsai, M.J. | Deposit date: | 2018-11-06 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structure of the programmed cell death 5 protein from Sulfolobus solfataricus. Acta Crystallogr F Struct Biol Commun, 75, 2019
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3IMK
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5BP9
| Crystal structure of SAM-dependent methyltransferase from Bacteroides fragilis in complex with S-Adenosyl-L-homocysteine | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Putative methyltransferase protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Cymborowski, M.T, Mason, D.V, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-05-27 | Release date: | 2015-06-10 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of SAM-dependent methyltransferase fromBacteroides fragilis in complex with S-Adenosyl-L-homocysteine to be published
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1OQM
| A 1:1 complex between alpha-lactalbumin and beta1,4-galactosyltransferase in the presence of UDP-N-acetyl-galactosamine | Descriptor: | Alpha-lactalbumin, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Ramakrishnan, B, Qasba, P.K. | Deposit date: | 2003-03-10 | Release date: | 2003-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design of beta 1,4-galactosyltransferase I (beta 4Gal-T1) with equally efficient
N-acetylgalactosaminyltransferase activity: point mutation broadens beta 4Gal-T1 donor specificity. J.Biol.Chem., 277, 2002
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5XXL
| Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | Authors: | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H. | Deposit date: | 2017-07-04 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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5BQI
| Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ... | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | Deposit date: | 2015-05-29 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
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5XXO
| Crystal structure of mutant (D286N) GH3 beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorotriose | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | Authors: | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H. | Deposit date: | 2017-07-04 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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6SKB
| Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK3496783A | Descriptor: | 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-08-15 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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5XXN
| Crystal Structure of mutant (D286N) beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorose | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | Authors: | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahashi, Y, Sugimono, N, Nakai, H, Taguchi, H. | Deposit date: | 2017-07-04 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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5EYG
| Crystal structure of IMPase/NADP phosphatase complexed with NADP and Ca2+ | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | Deposit date: | 2015-11-25 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase Acta Crystallogr D Struct Biol, 72, 2016
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6SRJ
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6SRQ
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6J07
| Crystal structure of human TERB2 and TERB1 | Descriptor: | Telomere repeats-binding bouquet formation protein 1, Telomere repeats-binding bouquet formation protein 2, ZINC ION | Authors: | Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M. | Deposit date: | 2018-12-21 | Release date: | 2019-02-27 | Method: | X-RAY DIFFRACTION (3.298 Å) | Cite: | The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope. Nat Commun, 10, 2019
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6SJ9
| Proteasome accessory factor B/C (PafBC) of Arthrobacter aurescens | Descriptor: | DI(HYDROXYETHYL)ETHER, POTASSIUM ION, Proteasome accessory factor B/C (PafBC), ... | Authors: | Mueller, A.U, Leibundgut, M, Ban, N, Weber-Ban, E. | Deposit date: | 2019-08-13 | Release date: | 2019-10-16 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and functional implications of WYL domain-containing bacterial DNA damage response regulator PafBC. Nat Commun, 10, 2019
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7AQE
| Structure of SARS-CoV-2 Main Protease bound to UNC-2327 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P, Meents, A. | Deposit date: | 2020-10-21 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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5EW0
| Crystal structure of the metallo-beta-lactamase Sfh-I in complex with the bisthiazolidine inhibitor L-CS319 | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase, ZINC ION | Authors: | Hinchliffe, P, Tooke, C.L, Spencer, J. | Deposit date: | 2015-11-20 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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7AEL
| alpha 1-antitrypsin (C232S) complexed with GSK716 | Descriptor: | Alpha-1-antitrypsin, SULFATE ION, ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide | Authors: | Chung, C. | Deposit date: | 2020-09-17 | Release date: | 2021-03-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Development of a small molecule that corrects misfolding and increases secretion of Z alpha 1 -antitrypsin. Embo Mol Med, 13, 2021
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7KUS
| Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N8-Acetylspermidine (Tetrahedral Intermediate) | Descriptor: | 1,2-ETHANEDIOL, 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2020-11-25 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10. Biochemistry, 60, 2021
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7KYR
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6J48
| Glycine mutation on single layer beta-sheet of OspAsm1 | Descriptor: | Outer surface protein A, TETRAETHYLENE GLYCOL | Authors: | Makabe, K, Hori, Y. | Deposit date: | 2019-01-08 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | Grafting a short chameleon sequence from alpha B crystallin into a beta-sheet scaffold protein. Proteins, 87, 2019
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7ATH
| Crystal structure of UipA | Descriptor: | UipA, ZINC ION | Authors: | Bremond, N, Gallois, N, Legrand, P, Chapon, V, Arnoux, P. | Deposit date: | 2020-10-30 | Release date: | 2021-10-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.343 Å) | Cite: | Discovery and characterization of UipA, a uranium- and iron-binding PepSY protein involved in uranium tolerance by soil bacteria. Isme J, 16, 2022
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3IER
| Firefly luciferase apo structure (P41 form) with PEG 400 bound | Descriptor: | Luciferin 4-monooxygenase, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J. | Deposit date: | 2009-07-23 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc.Natl.Acad.Sci.USA, 107, 2010
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