6M2Z
 
 | | Crystal structure of a formolase, BFD variant M3 from Pseudomonas putida | | Descriptor: | Benzoylformate decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | | Authors: | Wei, H.L, Liu, W.D, Li, T.Z, Zhu, L.L. | | Deposit date: | 2020-03-02 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Totally atom-economical synthesis of lactic acid from formaldehyde: combined bio-carboligation and chemo-rearrangement without the isolation of intermediate.
Green Chem, 22, 2020
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6M2Y
 | | Crystal structure of a formolase, BFD variant M6 from Pseudomonas putida | | Descriptor: | Benzoylformate decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | | Authors: | Wei, H.L, Liu, W.D, Li, T.Z, Zhu, L.L. | | Deposit date: | 2020-03-02 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Totally atom-economical synthesis of lactic acid from formaldehyde: combined bio-carboligation and chemo-rearrangement without the isolation of intermediate.
Green Chem, 22, 2020
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6AZK
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5T1M
 | | Cetuximab Fab in complex with CQYDLSTRRLKC | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CETUXIMAB FAB HEAVY CHAIN, CETUXIMAB FAB LIGHT CHAIN, ... | | Authors: | Bzymek, K.P, Williams, J.C. | | Deposit date: | 2016-08-19 | | Release date: | 2016-10-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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2E0H
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5YP6
 | | RORgamma (263-509) complexed with SRC2 and Compound 6 | | Descriptor: | N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2 | | Authors: | Gao, M, Cai, W. | | Deposit date: | 2017-11-01 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
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8HZW
 | | The NMR structure of noursinH11W peptide | | Descriptor: | noursinH11W | | Authors: | Yao, H, Li, Y, Zhang, T, Gao, J, Wang, H. | | Deposit date: | 2023-01-09 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Discovery and biosynthesis of tricyclic copper-binding ribosomal peptides containing histidine-to-butyrine crosslinks.
Nat Commun, 14, 2023
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5YP5
 | | Crystal structure of RORgamma complexed with SRC2 and compound 5d | | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide | | Authors: | Gao, M, Cai, W, Chunwa, C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
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8ILQ
 | | Structure of SFTSV Gn-Gc heterodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein | | Authors: | Du, S, Peng, R, Qi, J, Li, C. | | Deposit date: | 2023-03-04 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
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2HWN
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5Z0S
 | | Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor | | Descriptor: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1 | | Authors: | Liu, Q, Xu, Y. | | Deposit date: | 2017-12-20 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors
Molecules, 23, 2018
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7DAC
 | | Human RIPK3 amyloid fibril revealed by solid-state NMR | | Descriptor: | Receptor-interacting serine/threonine-protein kinase 3 | | Authors: | Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X. | | Deposit date: | 2020-10-16 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7VZF
 | | Cryo-EM structure of amyloid fibril formed by full-length human SOD1 | | Descriptor: | Superoxide dismutase [Cu-Zn] | | Authors: | Wang, L.Q, Ma, Y.Y, Yuan, H.Y, Zhao, K, Zhang, M.Y, Wang, Q, Huang, X, Xu, W.C, Chen, J, Li, D, Zhang, D.L, Zou, L.Y, Yin, P, Liu, C, Liang, Y. | | Deposit date: | 2021-11-16 | | Release date: | 2022-06-29 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Cryo-EM structure of an amyloid fibril formed by full-length human SOD1 reveals its conformational conversion.
Nat Commun, 13, 2022
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3VST
 | | The complex structure of XylC with Tris | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Xylosidase | | Authors: | Huang, C.H, Sun, Y, Ko, T.P, Ma, Y, Chen, C.C, Zheng, Y, Chan, H.C, Pang, X, Wiegel, J, Shao, W, Guo, R.T. | | Deposit date: | 2012-05-09 | | Release date: | 2013-02-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Biochem.J., 448, 2012
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5XFF
 | | Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L) | | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | | Authors: | Wu, D, Chen, Y. | | Deposit date: | 2017-04-10 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
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8IAG
 | | Crystal structure of rDcaUPO A161C mutant from Daldinia caldariorum | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, IMIDAZOLE, MAGNESIUM ION, ... | | Authors: | Li, T, Wang, Y. | | Deposit date: | 2023-02-08 | | Release date: | 2024-03-13 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.50000155 Å) | | Cite: | A novel insight of enhancing the hydrogen peroxide tolerance of unspecific peroxygenase from Daldinia caldariorum based on structure
Chin.Chem.Lett., 35, 2024
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5WMD
 | | N-terminal bromodomain of BRD4 in complex with OTX-015 | | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | | Authors: | Zhang, Y. | | Deposit date: | 2017-07-28 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
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5WMG
 | | N-terminal bromodomain of BRD4 in complex with OTX-015 | | Descriptor: | 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4 | | Authors: | Zhang, Y. | | Deposit date: | 2017-07-28 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
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8KH5
 | | Cryo-EM structure of the GPR174-Gs complex bound to endogenous lysoPS | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Nie, Y, Qiu, Z, Zheng, S, Chen, S. | | Deposit date: | 2023-08-21 | | Release date: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
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8KGK
 | | Cryo-EM structure of the GPR61-Gs complex | | Descriptor: | G-protein coupled receptor 61, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Nie, Y, Qiu, Z, Zheng, S. | | Deposit date: | 2023-08-19 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
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8KH4
 | | Cryo-EM structure of the GPR161-Gs complex | | Descriptor: | CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Nie, Y, Qiu, Z, Zheng, S, Chen, S. | | Deposit date: | 2023-08-21 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
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5WMA
 | | N-terminal bromodomain of BRD4 in complex with PLX5981 | | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4 | | Authors: | Zhang, Y. | | Deposit date: | 2017-07-28 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
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7EIL
 | | BRD4-BD1 in complex with LT-909-110 | | Descriptor: | Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide | | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy
Eur.J.Med.Chem., 227, 2022
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5XFJ
 | | Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550M) | | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | | Authors: | Wu, D, Chen, Y. | | Deposit date: | 2017-04-10 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
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3VSU
 | | The complex structure of XylC with xylobiose | | Descriptor: | Xylosidase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Huang, C.H, Sun, Y, Ko, T.P, Ma, Y, Chen, C.C, Zheng, Y, Chan, H.C, Pang, X, Wiegel, J, Shao, W, Guo, R.T. | | Deposit date: | 2012-05-09 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Biochem.J., 448, 2012
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