5FHB
 
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7U4I
 | | Crystal structure of human GPX4-U46C-R152H in complex with CDS9 | | Descriptor: | 2-bromo-N-[(thiophen-2-yl)methyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION | | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R. | | Deposit date: | 2022-02-28 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
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8JMR
 | | Crystal structure of hinokiresinol synthase in complex with 1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one | | Descriptor: | 1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one, Hinokiresinol synthase alpha subunit, Hinokiresinol synthase beta subunit, ... | | Authors: | Ding, Y, Ushimaru, R, Mori, T, Abe, I. | | Deposit date: | 2023-06-05 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Mechanistic Insights into the C-C Bond-Forming Rearrangement Reaction Catalyzed by Heterodimeric Hinokiresinol Synthase.
J.Am.Chem.Soc., 145, 2023
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8TB2
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7M8R
 | | Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with fluorosubstituted tryptophans | | Descriptor: | 1,1,1-tris(fluoranyl)propan-2-one, 1,2-ETHANEDIOL, BENZOIC ACID, ... | | Authors: | Johns, J.C, Banerjee, R, Shi, K, Semonis, M.M, Aihara, H, Pomerantz, W.C.K, Lipscomb, J.D. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Soluble Methane Monooxygenase Component Interactions Monitored by 19 F NMR.
Biochemistry, 60, 2021
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7P6Y
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 5ef | | Descriptor: | 4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2021-07-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
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6M4L
 | | X-ray crystal structure of the E249Q mutant of alpha-amylase I from Eisenia fetida | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Hirano, Y, Tsukamoto, K, Ariki, S, Naka, Y, Ueda, M, Tamada, T. | | Deposit date: | 2020-03-07 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystallographic structural studies of alpha-amylase I from Eisenia fetida.
Acta Crystallogr D Struct Biol, 76, 2020
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8JW3
 | | The crystal structure of the viral terpene synthase from Orpheovirus IHUMI-LCC2 | | Descriptor: | SULFATE ION, Terpenoid synthase | | Authors: | Jung, Y, Mitsuhashi, T, Senda, M, Sato, S, Senda, T, Fujita, M. | | Deposit date: | 2023-06-28 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Function and Structure of a Terpene Synthase Encoded in a Giant Virus Genome.
J.Am.Chem.Soc., 145, 2023
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6M4U
 | | Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin | | Descriptor: | CHLORIDE ION, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | Authors: | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | | Deposit date: | 2020-03-09 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
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8JMQ
 | | Crystal structure of hinokiresinol synthase | | Descriptor: | Hinokiresinol synthase alpha subunit, Hinokiresinol synthase beta subunit | | Authors: | Ding, Y, Ushimaru, R, Mori, T, Abe, I. | | Deposit date: | 2023-06-05 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Mechanistic Insights into the C-C Bond-Forming Rearrangement Reaction Catalyzed by Heterodimeric Hinokiresinol Synthase.
J.Am.Chem.Soc., 145, 2023
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7TSQ
 | | Structure of Enterobacter cloacae Cap2 bound to CdnD02 C-terminus, AMP state | | Descriptor: | ADENOSINE MONOPHOSPHATE, Cap2, Cyclic AMP-AMP-GMP synthase, ... | | Authors: | Ye, Q, Gu, Y, Ledvina, H.E, Quan, Y, Lau, R.K, Zhou, H, Whiteley, A.T, Corbett, K.D. | | Deposit date: | 2022-01-31 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | An E1-E2 fusion protein primes antiviral immune signalling in bacteria.
Nature, 616, 2023
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5TFO
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5FK8
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8Q8O
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7M2G
 | | INTERLEUKIN-2 (human) mutant P65K, C125S | | Descriptor: | GLYCEROL, Interleukin-2, SULFATE ION | | Authors: | Ptacin, J.L, Milla, M.E, Steinbacher, S, Maskos, K, Thomsen, M. | | Deposit date: | 2021-03-16 | | Release date: | 2021-08-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | An engineered IL-2 reprogrammed for anti-tumor therapy using a semi-synthetic organism.
Nat Commun, 12, 2021
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5TG1
 | | 1.40 A resolution structure of Norovirus 3CL protease in complex with the a m-chlorophenyl substituted macrocyclic inhibitor (17-mer) | | Descriptor: | (4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, 3C-LIKE PROTEASE, CHLORIDE ION | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C. | | Deposit date: | 2016-09-27 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease.
Eur J Med Chem, 127, 2016
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7U1B
 | | Crystal structure of EstG in complex with tantalum cluster | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, Beta-lactamase domain-containing protein, ... | | Authors: | Chen, Z, Gabelli, S.B. | | Deposit date: | 2022-02-20 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
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8JQK
 | | Crystal structure of a carbonyl reductase SSCR mutant from Sporobolomyces Salmonicolor | | Descriptor: | Aldehyde reductase 2 | | Authors: | Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2023-06-14 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
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8QZD
 | | Soluble epoxide hydrolase in complex with Epoxykinin | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ... | | Authors: | Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-27 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
J.Med.Chem., 67, 2024
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7U1C
 | | Structure of EstG crystalized with SO4 and Tris | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION, ... | | Authors: | Gabelli, S.B, Chen, Z. | | Deposit date: | 2022-02-20 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
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6M6P
 | | Structure of Marine bacterial laminarinase mutant E135A in complex with 1,3-beta-cellotriosyl-glucose | | Descriptor: | CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase | | Authors: | Yang, J, Xu, Y, Tanokura, M, Long, L, Miyakawa, T. | | Deposit date: | 2020-03-16 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
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7U59
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7U61
 | | Crystal Structure of Anti-Nicotine Antibody NIC311 Fab Complexed with Nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, NIC311 Fab Heavy Chain, NIC311 Fab Light Chain, ... | | Authors: | Rodarte, J.V, Pancera, M.P, Liban, T.L. | | Deposit date: | 2022-03-03 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
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7MJU
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8QA9
 | | Crystal structure of the RK2 plasmid encoded co-complex of the C-terminally truncated transcriptional repressor protein KorB complexed with the partner repressor protein KorA bound to OA-DNA | | Descriptor: | DNA (5'-D(*TP*GP*TP*TP*TP*AP*GP*CP*TP*AP*AP*AP*CP*A)-3'), SULFATE ION, Transcriptional repressor protein KorB, ... | | Authors: | McLean, T.C, Mundy, J.E.A, Lawson, D.M, Le, T.B.K. | | Deposit date: | 2023-08-22 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the RK2 plasmid encoded co-complex of the C-terminally truncated transcriptional repressor protein KorB complexed with the partner repressor protein KorA bound to OA-DNA
To Be Published
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