8QNG
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8QNH
| Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | Descriptor: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-09-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity. Acs Med.Chem.Lett., 14, 2023
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7DVR
| Crystal structure of heme sensor protein PefR from Streptococcus agalactiae in complex with heme | Descriptor: | COBALT (II) ION, HTH marR-type domain-containing protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nishinaga, M, Nagai, S, Nishitani, Y, Sugimoto, H, Shiro, Y, Sawai, H. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Heme controls the structural rearrangement of its sensor protein mediating the hemolytic bacterial survival. Commun Biol, 4, 2021
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7DVV
| Heme sensor protein PefR from Streptococcus agalactiae bound to operator DNA (28-mer) | Descriptor: | DNA (28-MER), HTH marR-type domain-containing protein | Authors: | Nishinaga, M, Nagai, S, Nishitani, Y, Sugimoto, H, Shiro, Y, Sawai, H. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Heme controls the structural rearrangement of its sensor protein mediating the hemolytic bacterial survival. Commun Biol, 4, 2021
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8QJR
| BRG1 bromodomain in complex with VBC via compound 17 | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | Deposit date: | 2023-09-13 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QJS
| VHL/Elongin B/Elongin C complex with compound 155 | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | Deposit date: | 2023-09-13 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.191 Å) | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QVI
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, DI(HYDROXYETHYL)ETHER | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring serial crystallography for drug discovery To Be Published
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8QEL
| PKR kinase domain- eIF2alpha in complex with compound | Descriptor: | (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide, Eukaryotic translation initiation factor 2 subunit alpha, Interferon-induced, ... | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | Deposit date: | 2023-08-31 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | PKR kinase domain- eIF2alpha in complex with compound To Be Published
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7DB1
| Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in dimedone- and glutathione-bound form | Descriptor: | 5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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7DB0
| Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in dimedone-bound form | Descriptor: | 5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE, DIMETHYL SULFOXIDE, Glutathione S-transferase E14 | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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7DAZ
| Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP015- and GSH-bound form | Descriptor: | 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine, GLUTATHIONE, Glutathione S-transferase E14 | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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7DB2
| Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in GS-dimedone-bound form | Descriptor: | 5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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7DAY
| Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP013-, and GSH-bound form | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid, GLUTATHIONE, ... | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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7DAX
| Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP013-bound form | Descriptor: | 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7000097 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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7DB3
| Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP011-bound form | Descriptor: | 4-bromanyl-2-[[2-[(E)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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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: | 2024-05-08 | 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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8P0F
| Crystal structure of the VCB complex with compound 1. | Descriptor: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ... | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2023-05-10 | Release date: | 2023-05-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders Chemrxiv, 2023
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8P4Z
| Crystal structure of the human CDK7 kinase domain in complex with LDC4297 | Descriptor: | 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, Cyclin-dependent kinase 7, GLYCEROL, ... | Authors: | Laursen, M, Caing-Carlsson, R, Houssari, R, Javadi, A, Kimbung, Y.R, Murina, V, Orozco-Rodriguez, J.M, Svensson, A, Welin, M, Logan, D, Svensson, B, Walse, B. | Deposit date: | 2023-05-23 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of the human CDK7 kinase domain in complex with LDC4297 To Be Published
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6MOE
| Monomeric DARPin E2 complex with EpoR | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E2 DARPin, ... | Authors: | Jude, K.M, Mohan, K, Garcia, K.C. | Deposit date: | 2018-10-04 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis. Science, 364, 2019
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6MSR
| Crystal structure of pRO-2.5 | Descriptor: | pRO-2.5 | Authors: | Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D. | Deposit date: | 2018-10-17 | Release date: | 2019-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | De novo design of tunable, pH-driven conformational changes. Science, 364, 2019
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6MOF
| Monomeric DARPin G2 complex with EpoR | Descriptor: | 1,2-ETHANEDIOL, Erythropoietin receptor, G2 DARPin | Authors: | Jude, K.M, Mohan, K, Garcia, K.C. | Deposit date: | 2018-10-04 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.894 Å) | Cite: | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis. Science, 364, 2019
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6NIF
| crystal structure of human REV7-RAN complex | Descriptor: | hREV7, GTP-binding nuclear protein Ran, hREV3 fusion | Authors: | Wang, X, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W. | Deposit date: | 2018-12-27 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch. J.Biol.Chem., 294, 2019
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6O2H
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7Y1Q
| 5.0 angstrom cryo-EM structure of transmembrane regions of mouse Basigin/MCT1 in complex with antibody 6E7F1 | Descriptor: | Isoform 2 of Basigin, Monocarboxylate transporter 1 | Authors: | Zhang, H, Yang, X, Xue, Y, Huang, Y, Mo, X, Zhang, H, Li, N, Gao, N, Li, X, Wang, S, Gao, Y, Liao, J. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (5.03 Å) | Cite: | Allosteric modulation of monocarboxylate transporters 1 and 4 by targeting their chaperon Basigin-2 To Be Published
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6NOW
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