7PAW
 
 | | MALT1 in complex with compound 1 | | Descriptor: | Mucosa-associated lymphoid tissue lymphoma translocation protein 1, ~{N}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{N}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2021-07-30 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors.
Eur.J.Med.Chem., 227, 2021
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7P5E
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Davies, T.G, Cleasby, A. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.874 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P8Y
 | | Short wilavidin apo form | | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, PENTAETHYLENE GLYCOL, ... | | Authors: | Avraham, O, Livnah, O. | | Deposit date: | 2021-07-23 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
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7P1A
 | | Carbonic Anhydrase VII Sultam Based Inhibitors | | Descriptor: | 4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | | Authors: | D'Ambrosio, K, De Simone, G. | | Deposit date: | 2021-07-01 | | Release date: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain.
Eur.J.Med.Chem., 227, 2021
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1A7L
 | | DOMINANT B-CELL EPITOPE FROM THE PRES2 REGION OF HEPATITIS B VIRUS IN THE FORM OF AN INSERTED PEPTIDE SEGMENT IN MALTODEXTRIN-BINDING PROTEIN | | Descriptor: | MALE-B363, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Saul, F.A, Vulliez-Lenormand, B, Lema, F, Bentley, G.A. | | Deposit date: | 1998-03-16 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a dominant B-cell epitope from the preS2 region of hepatitis B virus in the form of an inserted peptide segment in maltodextrin-binding protein.
J.Mol.Biol., 280, 1998
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7P5I
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | | Authors: | Davies, T.G, Cleasby, A. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P84
 | | Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine) | | Descriptor: | MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ... | | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | | Deposit date: | 2021-07-21 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.054 Å) | | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases.
Chembiochem, 23, 2022
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7P8M
 | | Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with DMNB-SAM (4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine) | | Descriptor: | 4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine, MAGNESIUM ION, S-adenosylmethionine synthase, ... | | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | | Deposit date: | 2021-07-23 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases.
Chembiochem, 23, 2022
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1ABE
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7OUQ
 | | wilavidin biotin complex | | Descriptor: | BIOTIN, GLYCEROL, wilavidin | | Authors: | Avraham, O, Livnah, O. | | Deposit date: | 2021-06-13 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
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7OUR
 | | Wilavidin apo form (P1 form) | | Descriptor: | wilavidin | | Authors: | Avraham, O, Livnah, O. | | Deposit date: | 2021-06-13 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
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7P5K
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P82
 | | Crystal structure of apo form L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii | | Descriptor: | S-adenosylmethionine synthase | | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | | Deposit date: | 2021-07-21 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.042 Å) | | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases.
Chembiochem, 23, 2022
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7P5F
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P83
 | | Crystal structure of Apo form of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii | | Descriptor: | S-adenosylmethionine synthase | | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | | Deposit date: | 2021-07-21 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.218 Å) | | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases.
Chembiochem, 23, 2022
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7P5N
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P47
 | | Structure of the E3 ligase Smc5/Nse2 in complex with Ubc9-SUMO thioester mimetic | | Descriptor: | E3 SUMO-protein ligase MMS21, SUMO-conjugating enzyme UBC9, Structural maintenance of chromosomes protein 5, ... | | Authors: | Lascorz, J, Varejao, N, Reverter, D. | | Deposit date: | 2021-07-09 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.314 Å) | | Cite: | Structural basis for the E3 ligase activity enhancement of yeast Nse2 by SUMO-interacting motifs.
Nat Commun, 12, 2021
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8TGO
 | | Crystal structure of the BG505 triple tandem trimer gp140 HIV-1 Env in complex with PGT124 and 35O22 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv, ... | | Authors: | Xian, Y, Yuan, M, Wilson, I.A. | | Deposit date: | 2023-07-12 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (5.75 Å) | | Cite: | Triple tandem trimer immunogens for HIV-1 and influenza nucleic acid-based vaccines.
Npj Vaccines, 9, 2024
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8AV5
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8TFH
 | | Ricin in complex with Fab JB4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, JB4 monoclonal antibody heavy chain, ... | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2023-07-11 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Structural Basis of Antibody-Mediated Inhibition of Ricin Toxin Attachment to Host Cells.
Biochemistry, 62, 2023
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8TFL
 | | Ricin in complex with Fab SylH3 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, NONAETHYLENE GLYCOL, ... | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2023-07-11 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structural Basis of Antibody-Mediated Inhibition of Ricin Toxin Attachment to Host Cells.
Biochemistry, 62, 2023
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7OUB
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8FC3
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and telithromycin at 2.60A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
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7OSS
 | | PARP15 catalytic domain in complex with OUL194 | | Descriptor: | 8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-06-09 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
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7OSX
 | | PARP15 catalytic domain in complex with OUL205 | | Descriptor: | 8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-06-09 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
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