7Q5W
 
 | | The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The tandem SH2 domains of SYK
To Be Published
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7Q5U
 | | The tandem SH2 domains of SYK with a bound CD3G diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The tandem SH2 domains of SYK
To Be Published
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7Q63
 | | The tandem SH2 domains of SYK | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-05 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The tandem SH2 domains of SYK
To Be Published
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7VXG
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7T1K
 | | Crystal structure of a superbinder Fes SH2 domain (sFes1) in complex with a high affinity phosphopeptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MALONATE ION, ... | | Authors: | Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2021-12-02 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
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7T1L
 | | Crystal structure of a superbinder Fes SH2 domain (sFesS) in complex with a high affinity phosphopeptide | | Descriptor: | CHLORIDE ION, SODIUM ION, Synthetic phosphotyrosine-containing Ezrin-derived peptide, ... | | Authors: | Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2021-12-02 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
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7T1U
 | | Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide | | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, Synthetic phosphopeptide, ZINC ION | | Authors: | Martyn, G.D, Singer, A.U, Manczyk, N, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2021-12-02 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
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7T8T
 | | CryoEM structure of PLCg1 | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma, CALCIUM ION | | Authors: | Endo-Streeter, S, Sondek, J. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | CryoEM structure of PLCg1
To Be Published
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7WFY
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7TVA
 | | Stat5a Core in complex with AK2292 | | Descriptor: | DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ... | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2022-02-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.835 Å) | | Cite: | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
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7TVB
 | | Stat5A Core in Complex with AK305 | | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2022-02-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.653 Å) | | Cite: | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
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7TZ7
 | | PI3K alpha in complex with an inhibitor | | Descriptor: | (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Knapp, M.S, Tang, J. | | Deposit date: | 2022-02-15 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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7Z3J
 | | Structure of crystallisable rat Phospholipase C gamma 1 in complex with inositol 1,4,5-trisphosphate | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ... | | Authors: | Pinotsis, N, Bunney, T.D, Katan, M. | | Deposit date: | 2022-03-02 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of the membrane interactions of phospholipase C gamma reveals key features of the active enzyme.
Sci Adv, 8, 2022
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7UBT
 | | Stat5a Core in complex with Compound 18 | | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2022-03-15 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.352 Å) | | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia.
J.Med.Chem., 66, 2023
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7UC6
 | | Stat5a Core in complex with Compound 12 | | Descriptor: | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2022-03-16 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia.
J.Med.Chem., 66, 2023
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7UC7
 | | Stat5a Core in complex with Compound 17 | | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2022-03-16 | | Release date: | 2023-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia.
J.Med.Chem., 66, 2023
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7XHQ
 | | Small-molecule Allosteric Regulation Mechanism of SHP2 | | Descriptor: | 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Luo, Y, Zhu, J, Yu, K, Liu, B. | | Deposit date: | 2022-04-09 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one.
J Enzyme Inhib Med Chem, 38, 2023
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7ZLO
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12 | | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLP
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 9 | | Descriptor: | Elongin-B, Elongin-C, PHOSPHATE ION, ... | | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLN
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11 | | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLS
 | | co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 | | Descriptor: | 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ... | | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLR
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 | | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLM
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound MN551 | | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZN7
 | | Cryo-EM structure of RCMV-E E27 bound to human DDB1 (deltaBPB) and rat STAT2 CCD | | Descriptor: | B27a, DNA damage-binding protein 1, Signal transducer and activator of transcription, ... | | Authors: | Lauer, S, Spahn, C.M.T, Schwefel, D. | | Deposit date: | 2022-04-20 | | Release date: | 2022-11-09 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Structural mechanism of CRL4-instructed STAT2 degradation via a novel cytomegaloviral DCAF receptor.
Embo J., 42, 2023
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7ZNN
 | | Cryo-EM structure of RCMV-E E27 bound to human DDB1 (deltaBPB) and full-length rat STAT2 | | Descriptor: | B27a, DNA damage-binding protein 1, Signal transducer and activator of transcription, ... | | Authors: | Lauer, S, Spahn, C.M.T, Schwefel, D. | | Deposit date: | 2022-04-21 | | Release date: | 2022-11-09 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structural mechanism of CRL4-instructed STAT2 degradation via a novel cytomegaloviral DCAF receptor.
Embo J., 42, 2023
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