5V08
 
 | | Crystal structure of human exonuclease 1 Exo1 (D173A) in complex with 5' recessed-end DNA (rVI) | | Descriptor: | DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... | | Authors: | Shi, Y, Beese, L.S. | | Deposit date: | 2017-02-28 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.812 Å) | | Cite: | Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5YJ7
 | | Structural insight into the beta-GH1 glucosidase BGLN1 from oleaginous microalgae Nannochloropsis | | Descriptor: | CALCIUM ION, GLYCEROL, Glycoside hydrolase | | Authors: | Dong, S, Liu, Y.J, Zhou, H.X, Xiao, Y, Xu, J, Cui, Q, Wang, X.Q, Feng, Y.G. | | Deposit date: | 2017-10-09 | | Release date: | 2018-10-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural insight into a GH1 beta-glucosidase from the oleaginous microalga, Nannochloropsis oceanica.
Int.J.Biol.Macromol., 170, 2021
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8D02
 | | Crystal Structure of Bacillus anthracis BxpB | | Descriptor: | BxpB, CALCIUM ION | | Authors: | Chattopadhyay, D, Turnbough, C.L. | | Deposit date: | 2022-05-25 | | Release date: | 2023-05-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure and induced stability of trimeric BxpB: implications for the assembly of BxpB-BclA complexes in the exosporium of Bacillus anthracis.
Mbio, 14, 2023
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8RJV
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication) | | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5 | | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
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7JWT
 | | Crystal structure of human ALDH1A1 bound to compound (R)-28 | | Descriptor: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | | Authors: | Hurley, T.D, Buchman, C. | | Deposit date: | 2020-08-26 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy.
Eur.J.Med.Chem., 211, 2020
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5D5H
 | | Crystal structure of Mycobacterium tuberculosis Topoisomerase I | | Descriptor: | ACETATE ION, DNA topoisomerase 1, GLYCEROL, ... | | Authors: | Tan, K, Cheng, B, Tse-Dinh, Y.C. | | Deposit date: | 2015-08-10 | | Release date: | 2015-12-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Insights from the Structure of Mycobacterium tuberculosis Topoisomerase I with a Novel Protein Fold.
J.Mol.Biol., 428, 2016
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5V2D
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8D5X
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8D8G
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7ZIT
 | | 14-3-3 in complex with SARS-COV2 N phospho-peptide | | Descriptor: | 14-3-3 protein zeta/delta, ACETATE ION, BENZOIC ACID, ... | | Authors: | Eisenreichova, A, Boura, E. | | Deposit date: | 2022-04-08 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural basis for SARS-CoV-2 nucleocapsid (N) protein recognition by 14-3-3 proteins.
J.Struct.Biol., 214, 2022
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8D7A
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8D8D
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5NED
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6VJX
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6VK5
 | | Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex | | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, CHLORIDE ION, ... | | Authors: | Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D. | | Deposit date: | 2020-01-18 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel.
Biochemistry, 59, 2020
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8D60
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8R9B
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | Cyclin-dependent kinase 7, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
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5D9D
 | | Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
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8D8H
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8RFM
 | | Human NOQ1 enzyme in complex with NADH by serial crystallography | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
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7LOE
 | | T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene | | Descriptor: | 1-fluoranylnaphthalene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8D7J
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3C6H
 | | Crystal Structure of the RB49 gp17 nuclease domain | | Descriptor: | MAGNESIUM ION, Terminase large subunit | | Authors: | Sun, S, Rossmann, M.G. | | Deposit date: | 2008-02-04 | | Release date: | 2009-01-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces.
Cell(Cambridge,Mass.), 135, 2008
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1K43
 | | 10 Structure Ensemble of the 14-residue peptide RG-KWTY-NG-ITYE-GR (MBH12) | | Descriptor: | MBH12 | | Authors: | Pastor, M.T, Lopez de la Paz, M, Lacroix, E, Serrano, L, Perez-Paya, E. | | Deposit date: | 2001-10-05 | | Release date: | 2001-10-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Combinatorial approaches: a new tool to search for highly structured beta-hairpin peptides.
Proc.Natl.Acad.Sci.USA, 99, 2002
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8R9A
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
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