7ZBE
 
 | | Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SwissFEL) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | | Deposit date: | 2022-03-23 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
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7ZBC
 | | Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, S, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | | Deposit date: | 2022-03-23 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
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6Y6L
 | | Structure the ananain protease from Ananas comosus with a thiomethylated catalytic cysteine | | Descriptor: | Ananain, GLYCEROL, SULFATE ION | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-02-26 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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8C53
 | | Trypanosoma brucei IMP dehydrogenase (ori) crystallized in High Five cells reveals native ligands ATP, GDP and phosphate. Diffraction data collection at 100 K in cellulo; CrystFEL processing | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | | Authors: | Lahey-Rudolph, J.M, Schoenherr, R, Boger, J, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Duden, R, Bourenkov, G, Schneider, T, Redecke, L. | | Deposit date: | 2023-01-06 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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8C5K
 | | HEX-1 (in cellulo, in situ) crystallized and diffracted in High Five cells. Growth and SX data collection at 296 K on CrystalDirect plates | | Descriptor: | Woronin body major protein | | Authors: | Lahey-Rudolph, J.M, Schoenherr, R, Boger, J, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Duden, R, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | | Deposit date: | 2023-01-09 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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8C51
 | | Trypanosoma brucei IMP dehydrogenase (cyto) crystallized in High Five cells revealing native ligands ATP, GDP and phosphate. Diffraction data collection at 100 K in cellulo | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | | Authors: | Lahey-Rudolph, J.M, Schoenherr, R, Boger, J, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Duden, R, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | | Deposit date: | 2023-01-06 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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8TU6
 | | CryoEM structure of PI3Kalpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Valverde, R, Shi, H, Holliday, M. | | Deposit date: | 2023-08-15 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8UMP
 | | T33-ml35 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml35-redesigned-CutA-fold, T33-ml35-redesigned-TPR-domain-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-18 | | Release date: | 2023-11-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8UF0
 | | T33-ml23 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml23-redesigned-CutA-fold, T33-ml23-redesigned-tandem-BMC-T-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-03 | | Release date: | 2023-11-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.02 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8TSA
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 2 | | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TXY
 | | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | | Authors: | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | | Deposit date: | 2023-08-24 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8U0Q
 | | Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series | | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A. | | Deposit date: | 2023-08-29 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
Acs Bio Med Chem Au, 3, 2023
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8TWC
 | | Acinetobacter phage AP205 T=3 VLP | | Descriptor: | Coat protein | | Authors: | Meng, R, Xing, Z, Zhang, J. | | Deposit date: | 2023-08-20 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
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8TVA
 | | Outer Mat-T4P complex | | Descriptor: | Fimbrial protein, Maturation protein | | Authors: | Meng, R, Xing, Z, Thongchol, J, Zhang, J. | | Deposit date: | 2023-08-17 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (8.55 Å) | | Cite: | Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
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8TV9
 | | Inner Mat-T4P complex | | Descriptor: | Fimbrial protein, Maturation protein | | Authors: | Meng, R, Xing, Z, Thongchol, J, Zhang, J. | | Deposit date: | 2023-08-17 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (8.15 Å) | | Cite: | Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
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5MG0
 | | Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography | | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ... | | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M. | | Deposit date: | 2016-11-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
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8UN1
 | | T33-ml23 Assembly Intermediate - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml23-redesigned-CutA-fold, T33-ml23-redesigned-tandem-BMC-T-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-18 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8UMR
 | | T33-ml35 Assembly Intermediate - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml35-redesigned-CutA-fold, T33-ml35-redesigned-TPR-domain-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-18 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.42 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8TW2
 | | Acinetobacter phage AP205 T=4 VLP | | Descriptor: | Coat protein | | Authors: | Meng, R, Xing, Z, Zhang, J. | | Deposit date: | 2023-08-19 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
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8UZH
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8UQV
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5MG1
 | | Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M. | | Deposit date: | 2016-11-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
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8A6D
 | | 10 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | | Deposit date: | 2022-06-17 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
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8A6C
 | | 1 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | | Deposit date: | 2022-06-17 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
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6X2A
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