7XOQ
 
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8U4X
 | | Cryo-EM structure of PsBphP in Pr state | | 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, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-11 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U65
 | | Cryo-EM structure of PsBphP in Pfr state, splayed PSM only | | 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, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U64
 | | Cryo-EM structure of PsBphP in Pfr state, medial PSM only | | 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, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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7XOO
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8U63
 | | Cryo-EM structure of PsBphP in Pfr state, Dimer of Dimers PSM only | | 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, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U62
 | | Cryo-EM structure of PsBphP in Pfr state, Dimer of Dimers FL | | 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, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U8Z
 | | Cryo-EM structure of PsBphP in Pr state, extended DHp | | 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, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-18 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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7XOS
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7XOR
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7XON
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8TK3
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites | | Descriptor: | 6-(difluoromethyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3 | | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | | Deposit date: | 2023-07-25 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites
To Be Published
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8TNJ
 | | Cryo-EM structure of HLA-B*73:01 bound to a 9mer peptide and two Fabs | | Descriptor: | 9mer peptide,Beta-2-microglobulin,MHC class I antigen chimera, B.1 Fab heavy chain, B.1 Fab light chain, ... | | Authors: | Ross, P, Adams, E.J, Lodwick, J, Zhao, M, Slezak, T, Kossiakoff, A. | | Deposit date: | 2023-08-02 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of HLA-B*73:01 bound to a 9mer peptide and two Fabs
To Be Published
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8TK2
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3, ... | | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | | Deposit date: | 2023-07-25 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) binding 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid
To Be Published
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8TO3
 | | EGFR(T790M/V948R) in complex with LN5461 | | Descriptor: | 3-hydroxy-N-{(3P)-3-[(4P)-2-(methylsulfanyl)-5-{2-[4-(piperazin-1-yl)anilino]pyridin-4-yl}-1H-imidazol-4-yl]phenyl}-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | | Authors: | Chitnis, S.C, Pham, C.D, Heppner, D.E. | | Deposit date: | 2023-08-02 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | EGFR(T790M/V948R) in complex with LN5461
To Be Published
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8TO4
 | | EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057 | | Descriptor: | (2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | | Authors: | Chitnis, S.P, Deng, M.Q, Pham, C.P, Heppner, D.E. | | Deposit date: | 2023-08-02 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057
To Be Published
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8TK5
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with HEPES | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | | Deposit date: | 2023-07-25 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment Screening Platform and Discovery of Novel Fragment Binders of the VHR Phosphatase, a Drug Target for Sepsis and Septic Shock
To Be Published
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4WUB
 | | N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl condition | | Descriptor: | CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M. | | Deposit date: | 2014-10-31 | | Release date: | 2015-04-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
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8U0I
 | | Crystal structure of PA0012 complexed with cyclic-di-GMP from Pseudomonas aeruginosa | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), GLYCEROL, PilZ domain-containing protein | | Authors: | Hammons, N.A, Schnicker, N.J, Fuentes, E.J. | | Deposit date: | 2023-08-29 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.541 Å) | | Cite: | Crystal structure of PA0012 complexed with cyclic-di-GMP from Pseudomonas aeruginosa
To Be Published
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4WHW
 | | Direct photocapture of bromodomains using tropolone chemical probes | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | | Authors: | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | | Deposit date: | 2014-09-23 | | Release date: | 2015-10-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.345 Å) | | Cite: | Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
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8U9I
 | | Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-2,3/2,6-sialyltransferase/sialidase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stubbs, H.E, Iverson, T.M. | | Deposit date: | 2023-09-19 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP
To Be Published
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8V0T
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8V0X
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4WF5
 | | Crystal structure of E.Coli DsbA soaked with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, ... | | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | | Deposit date: | 2014-09-12 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
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8V6S
 | | Crystal structure of PcThsA in complex with Imidazole Adenine Dinucleotide | | Descriptor: | Thoeris protein ThsA Macro domain-containing protein, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-imidazol-1-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | | Deposit date: | 2023-12-02 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural characterization of macro domain-containing Thoeris antiphage defense systems.
Sci Adv, 10, 2024
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