7PAW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7paw by Molmil](/molmil-images/mine/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
|
|
7P5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p5e by Molmil](/molmil-images/mine/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
|
|
7P8Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p8y by Molmil](/molmil-images/mine/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
|
|
7P1A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p1a by Molmil](/molmil-images/mine/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
|
|
1A7L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a7l by Molmil](/molmil-images/mine/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
|
|
7P5I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p5i by Molmil](/molmil-images/mine/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
|
|
7P84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p84 by Molmil](/molmil-images/mine/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
|
|
7P8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p8m by Molmil](/molmil-images/mine/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
|
|
1ABE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1abe by Molmil](/molmil-images/mine/1abe) | |
7OUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ouq by Molmil](/molmil-images/mine/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
|
|
7OUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7our by Molmil](/molmil-images/mine/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
|
|
7P5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p5k by Molmil](/molmil-images/mine/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
|
|
7P82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p82 by Molmil](/molmil-images/mine/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
|
|
7P5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p5f by Molmil](/molmil-images/mine/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
|
|
7P83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p83 by Molmil](/molmil-images/mine/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
|
|
7P5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p5n by Molmil](/molmil-images/mine/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
|
|
7P47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p47 by Molmil](/molmil-images/mine/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
|
|
8TGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tgo by Molmil](/molmil-images/mine/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
|
|
8AV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8av5 by Molmil](/molmil-images/mine/8av5) | |
8TFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tfh by Molmil](/molmil-images/mine/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
|
|
8TFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tfl by Molmil](/molmil-images/mine/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
|
|
7OUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oub by Molmil](/molmil-images/mine/7oub) | |
8FC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fc3 by Molmil](/molmil-images/mine/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
|
|
7OSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oss by Molmil](/molmil-images/mine/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
|
|
7OSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7osx by Molmil](/molmil-images/mine/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
|
|