8PEC
 
 | | OXA-48_Q5-CAZ. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution | | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION | | Authors: | Leiros, H.-K.S, Frohlich, C. | | Deposit date: | 2023-06-13 | | Release date: | 2024-02-14 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Epistasis arises from shifting the rate-limiting step during enzyme evolution of a beta-lactamase.
Nat Catal, 7, 2024
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6VG1
 | | xenopus protocadherin 8.1 EC1-6 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Harrison, O.J, Brasch, B, Shapiro, L.S. | | Deposit date: | 2020-01-07 | | Release date: | 2020-03-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
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6UY8
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7ZT2
 | | Structure of E8 TCR in complex with human MR1 bound to 5-OP-RU | | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, ... | | Authors: | Karuppiah, V, Srikannathasan, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT8
 | | Structure of E8 TCR in complex in human MR1 bound to 3FBA | | Descriptor: | 1,2-ETHANEDIOL, 3-methylbenzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | | Authors: | Karuppiah, V, Srikannathasan, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT4
 | | Structure of E8 TCR in complex with human MR1 bound to 6FP | | Descriptor: | 2-azanyl-6-methyl-3~{H}-pteridin-4-one, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Karuppiah, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT3
 | | Structure of E8 TCR in complex in human MR1 K43A | | Descriptor: | Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, TCR alpha, ... | | Authors: | Karuppiah, V, Srikannathasan, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT9
 | | Structure of E8 TCR in complex in human MR1 bound to 4FBA | | Descriptor: | 1,2-ETHANEDIOL, 4-METHYLBENZOIC ACID, Beta-2-microglobulin, ... | | Authors: | Karuppiah, V, Srikannathasan, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT5
 | | Structure of E8 TCR in complex in human MR1 bound to 3FSA | | Descriptor: | 3-methanoyl-2-oxidanyl-benzoic acid, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Karuppiah, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT7
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8PEB
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6YQ4
 | | Crystal structure of Fusobacterium nucleatum tannase | | Descriptor: | GLYCEROL, MAGNESIUM ION, SPERMIDINE, ... | | Authors: | Mancheno, J.M, Anguita, J, Rodriguez, H. | | Deposit date: | 2020-04-16 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance.
Microb Biotechnol, 15, 2022
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8PEA
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8CK6
 | | Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2023-02-14 | | Release date: | 2024-02-28 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
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6VFW
 | | Crystal structure of human delta protocadherin 10 EC1-EC4 | | Descriptor: | CALCIUM ION, Protocadherin-10, alpha-D-mannopyranose, ... | | Authors: | Harrison, O.J, Brasch, J, Shapiro, L. | | Deposit date: | 2020-01-06 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
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8CO5
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8CKQ
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | | Descriptor: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2023-02-16 | | Release date: | 2024-02-28 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
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8CKT
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide | | Descriptor: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2023-02-16 | | Release date: | 2024-02-28 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
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8CLW
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, Cytokinin dehydrogenase 4, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2023-02-17 | | Release date: | 2024-02-28 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
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8CM2
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide | | Descriptor: | 2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2023-02-17 | | Release date: | 2024-02-28 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
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6YMN
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6V9T
 | | Tudor domain of TDRD3 in complex with a small molecule | | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Tudor domain-containing protein 3, UNKNOWN ATOM OR ION | | Authors: | Li, W, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-12-16 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.154 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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6VFQ
 | | Crystal structure of monomeric human protocadherin 10 EC1-EC4 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Harrison, O.J, Brasch, J, Shapiro, L. | | Deposit date: | 2020-01-06 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
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6VFV
 | | Crystal structure of human protocadherin 8 EC5-EC6 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Harrison, O.J, Brasch, J, Shapiro, L. | | Deposit date: | 2020-01-06 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
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6VFZ
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor. | | Descriptor: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | | Authors: | Padyana, A, Jin, L. | | Deposit date: | 2020-01-07 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
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