7H2H
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1575274523 | Descriptor: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2Q
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270760338 | Descriptor: | DIMETHYL SULFOXIDE, N,N-dimethylpiperazine-1-carboxamide, Serine protease NS3, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.526 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2K
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z18769001 | Descriptor: | (2S)-2-(2-cyanophenoxy)propanamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.595 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2N
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z228587394 | Descriptor: | 4-methoxy-2-(piperazin-1-yl)pyrimidine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H1Q
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z119990326 | Descriptor: | 5-(thiophen-2-yl)-4H-1,2,4-triazol-3-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.411 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2B
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1272517105 | Descriptor: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2E
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1428159350 | Descriptor: | (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2M
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z228586974 | Descriptor: | (3-fluorophenyl)(piperazin-1-yl)methanone, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.712 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2P
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z2509342103 | Descriptor: | (8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.452 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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8VJO
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8PO6
| Structure of Escherichia coli HrpA apo form | Descriptor: | ATP-dependent RNA helicase HrpA, PHOSPHATE ION | Authors: | Xin, B.G, Yuan, L.G, Zhang, L.L, Xie, S.M, Liu, N.N, Ai, X, Li, H.H, Rety, S, Xi, X.G. | Deposit date: | 2023-07-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural insights into the N-terminal APHB domain of HrpA: mediating canonical and i-motif recognition. Nucleic Acids Res., 52, 2024
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9BHR
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1 | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-21 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound To be published
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9F4F
| UP1 in complex with Z86417414 | Descriptor: | 2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-27 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F4K
| UP1 in complex with ZINC72259689 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F4O
| UP1 in complex with Z991506900 | Descriptor: | (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F4Q
| UP1 in complex with Z641239276 | Descriptor: | 5-(2-phenylethylamino)pyrimidine-2,4-diol, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F51
| UP1 in complex with Z608065044 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F52
| UP1 in complex with Z734147462 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(methylamino)oxan-4-yl]methanol | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F55
| UP1 in complex with Z235361315 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F5D
| UP1 in complex with Z641230552 | Descriptor: | 5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9BFN
| Cryo-EM co-structure of AcrB with the CU232 efflux pump inhibitor | Descriptor: | (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB | Authors: | Su, C.C. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment. mBio, 14, 2023
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9BFH
| Cryo-EM co-structure of AcrB with the CU032 efflux pump inhibitor | Descriptor: | (2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3,4-dichlorophenoxy)propan-2-ol, Multidrug efflux pump subunit AcrB | Authors: | Su, C.C. | Deposit date: | 2024-04-17 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment. mBio, 14, 2023
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9BFT
| Cryo-EM co-structure of AcrB with CU244 | Descriptor: | (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB | Authors: | Su, C.C. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment. mBio, 14, 2023
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8OVJ
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8QSQ
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