8AGP
| Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65 | Descriptor: | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AGM
| Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.966 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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7UM3
| Crystal structure of a Fab in complex with a peptide derived from the LAG-3 D1 domain loop insertion | Descriptor: | D1 domain loop peptide from Lymphocyte activation gene 3 protein, Fab heavy chain, Fab light chain | Authors: | Zorn, J.A, Lee, P.S, Rajpal, A, Strop, P. | Deposit date: | 2022-04-06 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3983 Å) | Cite: | Preclinical Characterization of Relatlimab, a Human LAG-3-Blocking Antibody, Alone or in Combination with Nivolumab. Cancer Immunol Res, 10, 2022
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7UMV
| Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydropyrido[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, ACETATE ION, Dual specificity protein phosphatase 10 | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | Deposit date: | 2022-04-07 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
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7UN0
| Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10 | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | Deposit date: | 2022-04-08 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
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7UL6
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7UN4
| Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10 | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | Deposit date: | 2022-04-08 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
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7UMU
| Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dual specificity protein phosphatase 10 | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | Deposit date: | 2022-04-07 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
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8BOR
| Photosensory module from DrBphP without PHY tongue | 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: | Kurttila, M, Takala, H, Ihalainen, J.A. | Deposit date: | 2022-11-15 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The interconnecting hairpin extension "arm": An essential allosteric element of phytochrome activity. Structure, 31, 2023
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8BYA
| Cryo-EM structure of SKP1-SKP2-CKS1-CDK2-CyclinA-p27KIP1 Complex | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ... | Authors: | Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E. | Deposit date: | 2022-12-12 | Release date: | 2023-06-28 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1. Sci Rep, 13, 2023
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7ULW
| CryoEM structure of human LACTB filament | Descriptor: | Serine beta-lactamase-like protein LACTB, mitochondrial | Authors: | Bennett, J.A, Steward, L.R, Aydin, H. | Deposit date: | 2022-04-05 | Release date: | 2022-12-07 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The structure of the human LACTB filament reveals the mechanisms of assembly and membrane binding. Plos Biol., 20, 2022
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7RAH
| Adenylate cyclase toxin RTX domain fragment bound to M1H5 Fab and M2B10 Fab | Descriptor: | Bifunctional adenylate cyclase toxin/hemolysin CyaA,Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, M1H5 Fab Heavy Chain, ... | Authors: | Goldsmith, J.A, McLellan, J.S. | Deposit date: | 2021-07-01 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for antibody binding to adenylate cyclase toxin reveals RTX linkers as neutralization-sensitive epitopes. Plos Pathog., 17, 2021
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8B58
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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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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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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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7U4R
| Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10 | Authors: | Gannam, Z.T.K, Jamali, H, Gentzel, E, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | Deposit date: | 2022-02-28 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
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8BV9
| Acylphosphatase from E. coli | Descriptor: | 1,2-ETHANEDIOL, Acylphosphatase, GLYCEROL, ... | Authors: | Gavira, J.A, Martinez-Rodriguez, S. | Deposit date: | 2023-01-18 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | First 3-D structural evidence of a native-like intertwined dimer in the acylphosphatase family. Biochem.Biophys.Res.Commun., 682, 2023
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8BD0
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8BPI
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8BIK
| Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455 | Descriptor: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | Authors: | Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M. | Deposit date: | 2022-11-02 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis Biorxiv, 2024
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8BZO
| Cryo-EM structure of CDK2-CyclinA in complex with p27 from the SCFSKP2 E3 ligase Complex | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B | Authors: | Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E. | Deposit date: | 2022-12-15 | Release date: | 2023-06-28 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1. Sci Rep, 13, 2023
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8BYL
| Cryo-EM structure of SKP1-SKP2-CKS1 from the SCFSKP2 E3 ligase complex | Descriptor: | Cyclin-dependent kinase inhibitor 1B, Cyclin-dependent kinases regulatory subunit 1, S-phase kinase-associated protein 1, ... | Authors: | Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2022-12-13 | Release date: | 2023-06-28 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1. Sci Rep, 13, 2023
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8CDN
| Crystal structure of human Brachyury in complex with a single T box binding element DNA | Descriptor: | DNA (5'-D(*AP*GP*GP*CP*TP*CP*AP*CP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*GP*TP*GP*AP*GP*CP*CP*T)-3'), T-box transcription factor T | Authors: | Newman, J.A, Gavard, A.E, von Delft, F, Gileadi, O, Bountra, C. | Deposit date: | 2023-01-31 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of human Brachyury in complex with a single T box binding element DNA To Be Published
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7U0Y
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