9DC8
 
 | | Mtb GuaB dCBS in complex with inhibitor G1 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide, ... | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-08-25 | | Release date: | 2024-11-27 | | Last modified: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of potent dihydro-oxazinoquinolinone inhibitors of GuaB for the treatment of tuberculosis.
Bioorg.Med.Chem.Lett., 117, 2025
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9DMU
 | | Cryo-EM structure of IMPDH2 bound to IMP and GAD | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, POTASSIUM ION, ... | | Authors: | Chen, Y.J, Li, B, Parada, L.F. | | Deposit date: | 2024-09-14 | | Release date: | 2024-11-27 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (1.82 Å) | | Cite: | Gliocidin is a nicotinamide-mimetic prodrug that targets glioblastoma.
Nature, 636, 2024
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9J2K
 | | Crystal structure of Omega Transaminase TA_2799 from Pseudomonas putida KT2440 | | Descriptor: | 1,2-ETHANEDIOL, Aminotransferase, class III, ... | | Authors: | Das, P, Bhaumik, P. | | Deposit date: | 2024-08-07 | | Release date: | 2025-06-04 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural insights and rational design of Pseudomonasputida KT2440 omega transaminases for enhanced biotransformation of (R)-PAC to (1R, 2S)-Norephedrine.
J.Biol.Chem., 301, 2025
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4Y8N
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8AUN
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1MNC
 | | STRUCTURE OF HUMAN NEUTROPHIL COLLAGENASE REVEALS LARGE S1' SPECIFICITY POCKET | | Descriptor: | CALCIUM ION, METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID, NEUTROPHIL COLLAGENASE, ... | | Authors: | Stams, T, Spurlino, J.C, Smith, D.L, Rubin, B. | | Deposit date: | 1994-01-12 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of human neutrophil collagenase reveals large S1' specificity pocket.
Nat.Struct.Biol., 1, 1994
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8KB3
 | | Superoxide dismutase | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Zhai, L, Li, B.Q, Jia, H.H. | | Deposit date: | 2023-08-03 | | Release date: | 2024-08-07 | | Last modified: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | YdiU regulates Salmonella Oxidative Stress by UMPylation of SodA
To be published
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4Y8T
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5ZF1
 | | Molecular structure of a novel 5,10-methylenetetrahydrofolate dehydrogenase from the silkworm, Bombyx mori | | Descriptor: | 1,2-ETHANEDIOL, 5,10-methylenetetrahydrofolate dehydrogenase, SULFATE ION | | Authors: | Haque, R, Higashiura, A, Nakagawa, A, Yamamoto, K. | | Deposit date: | 2018-03-02 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular structure of a 5,10-methylenetetrahydrofolate dehydrogenase from the silkwormBombyx mori.
FEBS Open Bio, 9, 2019
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5LBT
 | | Structure of the human quinone reductase 2 (NQO2) in complex with imiquimod | | Descriptor: | 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Schneider, S, Gross, O. | | Deposit date: | 2016-06-17 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7
To Be Published
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6IGW
 | | MPZL1 mutant - S86G, V145G, Q146K,P147T,G148S | | Descriptor: | Myelin protein zero-like protein 1 | | Authors: | Yu, T. | | Deposit date: | 2018-09-26 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.979 Å) | | Cite: | Structural and biochemical studies of the extracellular domain of Myelin protein zero-like protein 1
Biochem. Biophys. Res. Commun., 506, 2018
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4YA3
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8QM6
 | | Potential drug binding sites for translation initiation factor eIF4E | | Descriptor: | (1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol, (1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cleasby, A. | | Deposit date: | 2023-09-21 | | Release date: | 2025-01-15 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
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5YFN
 | | Human isocitrate dehydrogenase 1 bound with isocitrate | | Descriptor: | ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, ... | | Authors: | Nordlund, P, Chen, D, Jansson, A, Larsson, A. | | Deposit date: | 2017-09-21 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human isocitrate dehydrogenase 1 bound with isocitrate
To Be Published
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4GHJ
 | | 1.75 Angstrom Crystal Structure of Transcriptional Regulator ftom Vibrio vulnificus. | | Descriptor: | Probable transcriptional regulator | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 1.75 Angstrom Crystal Structure of Transcriptional Regulator ftom Vibrio vulnificus.
TO BE PUBLISHED
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3MCE
 | | Crystal structure of the NAC domain of alpha subunit of nascent polypeptide-associated complex(NAC) | | Descriptor: | IODIDE ION, Nascent polypeptide-associated complex subunit alpha | | Authors: | Wang, L.F, Zhang, W.C, Wang, L, Zhang, X.J.C, Li, X.M, Rao, Z. | | Deposit date: | 2010-03-29 | | Release date: | 2010-07-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | Crystal structures of NAC domains of human nascent polypeptide-associated complex (NAC) and its alphaNAC subunit
Protein Cell, 1, 2010
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6FY1
 | | Crystal structure of a V2p-reactive RV144 vaccine-like antibody, CAP228-16H, in complex with a scaffolded autologous V1V2 | | Descriptor: | CAP228 Autologous Scaffolded V1V2, CAP228-16H Heavy Chain, CAP228-16H Light Chain | | Authors: | Wibmer, C.K, Moore, P.L, Morris, L. | | Deposit date: | 2018-03-10 | | Release date: | 2018-10-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.132 Å) | | Cite: | Common helical V1V2 conformations of HIV-1 Envelope expose the alpha 4 beta 7 binding site on intact virions.
Nat Commun, 9, 2018
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8VXF
 | | Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | | Descriptor: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | | Authors: | Thompson, A.A, Milligan, C.M, Sharma, S. | | Deposit date: | 2024-02-04 | | Release date: | 2024-05-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
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6CA4
 | | Crystal structure of humanized D. rerio TDP2 by 14 mutations | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ... | | Authors: | Shi, K, Aihrara, H. | | Deposit date: | 2018-01-29 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.623 Å) | | Cite: | New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2).
Eur J Pharm Sci, 118, 2018
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6IN3
 | | Crystal structure of DOT1L in complex with 18-Crown-6 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
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8XKV
 | | Cryo-EM structure of the Ycf2-FtsHi motor complex from Arabidopsis in Apo state | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, ATP-dependent zinc metalloprotease FTSH 12, chloroplastic, ... | | Authors: | Liang, K, Zhan, X, Xu, Q, Wu, J, Yan, Z. | | Deposit date: | 2023-12-25 | | Release date: | 2024-09-11 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into the chloroplast protein import in land plants.
Cell, 187, 2024
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8C5P
 | | E. coli NfsB mutant N71S T41L with acetate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Day, M.A, White, S.A, Hyde, E.I. | | Deposit date: | 2023-01-10 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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8C5F
 | | E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | White, S.A, Hyde, E.I, Day, M.A. | | Deposit date: | 2023-01-07 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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4CUZ
 | | Crystal structure of S. aureus FabI in complex with NADPH and PT173 | | Descriptor: | 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, ENOYL-ACP REDUCTASE MOLECULE ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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5Z20
 | | The ternary structure of D-lactate dehydrogenase from Pseudomonas aeruginosa with NADH and oxamate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-lactate dehydrogenase (Fermentative), DI(HYDROXYETHYL)ETHER, ... | | Authors: | Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H. | | Deposit date: | 2017-12-28 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria.
Biochemistry, 57, 2018
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