7H26
 
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198317053 | | Descriptor: | (5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid, DIMETHYL SULFOXIDE, SULFATE ION, ... | | 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 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H2J
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1787627869 | | Descriptor: | 5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-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 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H20
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z4605084899 | | Descriptor: | 3-ethenyl-1,2-dimethyl-pyrazole, DIMETHYL SULFOXIDE, SULFATE ION, ... | | 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 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H25
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198158918 | | Descriptor: | 1H-indazole-3-carbonitrile, 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 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.564 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H1K
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57122377 | | 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 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.505 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H22
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1102357527 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-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 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.554 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7NDW
 | | ThyX-FADH2 soaked with 20 mM Formaldehyde | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent thymidylate synthase, ... | | Authors: | Bou-Nader, C, Pecqueur, L, Hamdane, D. | | Deposit date: | 2021-02-02 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An enzymatic activation of formaldehyde for nucleotide methylation.
Nat Commun, 12, 2021
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7NDZ
 | | ThyX reconstituted with N5-carbinolamine flavin | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent thymidylate synthase, ... | | Authors: | Bou-Nader, C, Pecqueur, L, Hamdane, D. | | Deposit date: | 2021-02-02 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An enzymatic activation of formaldehyde for nucleotide methylation.
Nat Commun, 12, 2021
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7K5I
 | | SARS-COV-2 nsp1 in complex with human 40S ribosome | | Descriptor: | 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | Authors: | Wang, L, Shi, M, Wu, H. | | Deposit date: | 2020-09-16 | | Release date: | 2020-10-14 | | Last modified: | 2021-03-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | SARS-CoV-2 Nsp1 suppresses host but not viral translation through a bipartite mechanism.
Biorxiv, 2020
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7K0B
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7K5A
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7NYL
 | | Mutant H493A of SH3 domain of JNK-interacting Protein 1 (JIP1) | | Descriptor: | SH3 domain of JNK-interacting Protein 1 (JIP1), TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | Authors: | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | | Deposit date: | 2021-03-23 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
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7NZB
 | | Mutant V517L of the SH3 domain of JNK-interacting protein 1 (JIP1) | | Descriptor: | PHOSPHATE ION, SH3 domain of JNK-interacting protein 1 (JIP1), TETRAETHYLENE GLYCOL | | Authors: | Perez, L.M, Ielasi, F.S, Jensen, M.R, Palencia, A. | | Deposit date: | 2021-03-23 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.959 Å) | | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
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7NYM
 | | Mutant V517A - SH3 domain of JNK-interacting Protein 1 (JIP1) | | Descriptor: | HEXAETHYLENE GLYCOL, PHOSPHATE ION, SH3 domain of JNK-interacting Protein 1 (JIP1), ... | | Authors: | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | | Deposit date: | 2021-03-23 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.614 Å) | | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
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7NYO
 | | Mutant A541L of SH3 domain of JNK-interacting Protein 1 (JIP1) | | Descriptor: | 1,2-ETHANEDIOL, SH3 domain of JNK-interacting Protein 1 (JIP1), SULFATE ION, ... | | Authors: | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | | Deposit date: | 2021-03-23 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
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7NYK
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7NYN
 | | Mutant Y526A of SH3 domain of JNK-interacting Protein 1 (JIP1) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | | Authors: | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | | Deposit date: | 2021-03-23 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.537 Å) | | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
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7L9P
 | | Structure of human SHLD2-SHLD3-REV7-TRIP13(E253Q) complex | | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pachytene checkpoint protein 2 homolog, ... | | Authors: | Xie, W, Patel, D.J. | | Deposit date: | 2021-01-04 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7OGN
 | | Crystal structure of T2R-TTL -mebendazole complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Oliva, M.A, Bonato, F, Diaz, J.F. | | Deposit date: | 2021-05-07 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function.
Int J Mol Sci, 23, 2022
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7NY2
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7NXN
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7NXO
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7ORF
 | | Crystal structure of JNK3 in complex with FMU-001-367 (compound 1) | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 10, ... | | Authors: | Chaikuad, A, Koch, P, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-06-05 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Controlling the Covalent Reactivity of a Kinase Inhibitor with Light.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7ORE
 | | Crystal structure of JNK3 in complex with light-activated covalent inhibitor MR-II-249 with both non-covalent and covalent binding modes (compound 4) | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide, Mitogen-activated protein kinase 10 | | Authors: | Chaikuad, A, Reynders, M, Trauner, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-06-05 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Controlling the Covalent Reactivity of a Kinase Inhibitor with Light.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7OVJ
 | | Protein kinase MKK7 in complex with difluoro-phenethyltriazole-substituted pyrazolopyrimidine | | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2021-06-15 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
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