7SJC
 
 | | Crystal structure of dehaloperoxidase B in complex with gamma-terpinene | | Descriptor: | 1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | Malewschik, T, Yun, D, de Serrano, V.S, Ghiladi, R.A. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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6O0W
 | | Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 in complex with NADP+ and Bis-Tris | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-2'-5'-DIPHOSPHATE, TIR-NB-LRR type resistance protein RUN1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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8FPW
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8FPX
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6O2C
 | | Crystal structure of 4493 Fab in complex with circumsporozoite protein NANP3 and anti-kappa VHH domain | | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | | Deposit date: | 2019-02-22 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.017 Å) | | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
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6WFG
 | | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | | Descriptor: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFO
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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8UB9
 | | Diversity-generating retroelement (DGR) ribonucleoprotein reverse transcriptase- Active state (N-empty) 1a | | Descriptor: | Avd, Diversity-generating retroelement (DGR) RNA Sp, Diversity-generating retroelement (DGR) RNA TR, ... | | Authors: | Biswas, T, Handa, S, Ghosh, P. | | Deposit date: | 2023-09-22 | | Release date: | 2024-10-23 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | RNA control of reverse transcription in a diversity-generating retroelement.
Nature, 638, 2025
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8UBA
 | | Diversity-generating retroelement (DGR) ribonucleoprotein reverse transcriptase - Pre-active state 1b | | Descriptor: | Avd, Diversity-generating retroelement (DGR) RNA Sp, Diversity-generating retroelement (DGR) RNA TR, ... | | Authors: | Biswas, T, Handa, S, Ghosh, P. | | Deposit date: | 2023-09-22 | | Release date: | 2024-10-23 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | RNA control of reverse transcription in a diversity-generating retroelement.
Nature, 638, 2025
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7S1D
 | | Crystal structure of E.coli DsbA in complex with compound MIPS-0001877 (compound 39) | | Descriptor: | 1-[3-(thiophen-3-yl)benzyl]piperidin-2-one, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. | | Deposit date: | 2021-09-02 | | Release date: | 2023-02-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
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8UCJ
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8UB8
 | | Diversity-generating retroelement (DGR) ribonucleoprotein reverse transcriptase - Pre-active State 1a | | Descriptor: | Avd, Diversity-generating retroelement (DGR) RNA Sp, Diversity-generating retroelement (DGR) RNA TR, ... | | Authors: | Biswas, T, Handa, S, Ghosh, P. | | Deposit date: | 2023-09-22 | | Release date: | 2024-10-23 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | RNA control of reverse transcription in a diversity-generating retroelement.
Nature, 638, 2025
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7P0O
 | | mitoNEET bound to M1 molecule | | Descriptor: | 2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, 2-benzamido-4-[(2~{S})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, CDGSH iron-sulfur domain-containing protein 1, ... | | Authors: | Livnah, O, Eisenberg-Domovich, Y, Marjault, H.B, Nechushtai, R. | | Deposit date: | 2021-06-30 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters.
Commun Biol, 5, 2022
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6NFI
 | | BTK in complex with inhibitor N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide | | Descriptor: | N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide, SULFATE ION, Tyrosine-protein kinase BTK | | Authors: | Damm-Ganamet, K.L, Mirzadegan, T. | | Deposit date: | 2018-12-20 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.
J.Chem.Inf.Model., 59, 2019
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8UB7
 | | Diversity-generating retroelement (DGR) ribonucleoprotein reverse transcriptase - Active state (N-occupied) | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Avd, Diversity-generating retroelement (DGR) RNA Sp, ... | | Authors: | Biswas, T, Handa, S, Ghosh, P. | | Deposit date: | 2023-09-22 | | Release date: | 2024-10-23 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | RNA control of reverse transcription in a diversity-generating retroelement.
Nature, 638, 2025
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8UBD
 | | Diversity-generating retroelement (DGR) ribonucleoprotein reverse transcriptase - Pre-active State 2 | | Descriptor: | Avd, Diversity-generating retroelement (DGR) RNA Sp, Diversity-generating retroelement (DGR) RNA TR, ... | | Authors: | Biswas, T, Handa, S, Ghosh, P. | | Deposit date: | 2023-09-22 | | Release date: | 2024-10-23 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | RNA control of reverse transcription in a diversity-generating retroelement.
Nature, 638, 2025
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8R4Q
 | | Salt inducible kinase 3 in complex with inhibitor | | Descriptor: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2023-11-14 | | Release date: | 2024-03-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.838 Å) | | Cite: | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
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8PNX
 | | Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens in PMP form | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase, ... | | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O. | | Deposit date: | 2023-07-03 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural determinants of dual substrate recognition in the transaminase from Blastococcus saxobsidens specific to D-amino acids and R-amines
To Be Published
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8UBE
 | | Diversity-generating retroelement (DGR) ribonucleoprotein reverse transcriptase - Resting State 1a | | Descriptor: | Avd, Diversity-generating retroelement (DGR) RNA Sp, Diversity-generating retroelement (DGR) RNA TR, ... | | Authors: | Biswas, T, Handa, S, Ghosh, P. | | Deposit date: | 2023-09-22 | | Release date: | 2024-10-23 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | RNA control of reverse transcription in a diversity-generating retroelement.
Nature, 638, 2025
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6HMM
 | | POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Poly(ADP-ribose) glycohydrolase, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G. | | Deposit date: | 2018-09-12 | | Release date: | 2018-11-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
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6WIA
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8UFW
 | | CA9 mimic with SLC compound | | Descriptor: | 4-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ... | | Authors: | Peat, T.S. | | Deposit date: | 2023-10-04 | | Release date: | 2024-12-18 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (1.215 Å) | | Cite: | An ureido-substituted benzenesulfonamide carbonic anhydrase inhibitor exerts a potent antitumor effect in vitro and in vivo.
Exp Hematol Oncol, 14, 2025
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6WM6
 | | Periplasmic EDTA-binding protein EppA, tetragonal | | Descriptor: | 1,2-ETHANEDIOL, Extracellular solute-binding protein, family 5, ... | | Authors: | Lewis, K.M, Sattler, S.A, Greene, C.L, Xun, L, Kang, C. | | Deposit date: | 2020-04-20 | | Release date: | 2020-11-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The Structural Basis of the Binding of Various Aminopolycarboxylates by the Periplasmic EDTA-Binding Protein EppA from Chelativorans sp. BNC1.
Int J Mol Sci, 21, 2020
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7T29
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8AHZ
 | | Native VirD of Streptomyces virginiae | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Enoyl-CoA hydratase, ... | | Authors: | Collin, S, Gruez, A. | | Deposit date: | 2022-07-25 | | Release date: | 2023-03-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Nat Commun, 14, 2023
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