8P07
 
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Ong, H.W, Yang, X, Bown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
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8P06
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Descriptor: | 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-06-21 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
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7XGL
 | | Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in Apo form | | Descriptor: | CHLORIDE ION, GLYCEROL, Quinolinate Phosphoribosyl Transferase, ... | | Authors: | Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z. | | Deposit date: | 2022-04-05 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
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7XGM
 | | Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in complex with Quinolinic Acid (QA) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, QUINOLINIC ACID, ... | | Authors: | Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z. | | Deposit date: | 2022-04-05 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
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7XGN
 | | Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in complex with Nicotinic Acid (NA) | | Descriptor: | CHLORIDE ION, NICOTINIC ACID, Quinolinate Phosphoribosyl Transferase, ... | | Authors: | Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z. | | Deposit date: | 2022-04-05 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
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7VWK
 | | The product template domain of AviM | | Descriptor: | Polyketide synthase | | Authors: | Feng, Y, Yang, X, Zheng, J. | | Deposit date: | 2021-11-10 | | Release date: | 2022-06-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Streptomyces viridochromogenes product template domain represents an evolutionary intermediate between dehydratase and aldol cyclase of type I polyketide synthases.
Commun Biol, 5, 2022
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7Y37
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7Y6I
 | | Cryo-EM structure of human sodium-chloride cotransporter | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nan, J, Yang, X, Shan, Z, Yuan, Y, Zhang, Y.Q. | | Deposit date: | 2022-06-20 | | Release date: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
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7YW2
 | | Crystal structure of tRNA 2'-phosphotransferase from Mus musculus | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ... | | Authors: | Yang, X.Y, Liu, X.H. | | Deposit date: | 2022-08-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
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7YW3
 | | Crystal structure of tRNA 2'-phosphotransferase from Homo sapiens | | Descriptor: | 1,2-ETHANEDIOL, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, tRNA 2'-phosphotransferase 1 | | Authors: | Yang, X.Y, Liu, X.H. | | Deposit date: | 2022-08-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
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7YW4
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8XYB
 | | hPhK gamma-delta subcomplex in inactive state | | Descriptor: | Calmodulin-1, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ... | | Authors: | Yang, X.K, Xiao, J.Y. | | Deposit date: | 2024-01-19 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
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8XY7
 | | hPhK alpha-gamma subcomplex in active state | | Descriptor: | FARNESYL, Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform, ... | | Authors: | Yang, X.K, Xiao, J.Y. | | Deposit date: | 2024-01-19 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
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8XYA
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5ZOL
 | | Crystal structure of a three sites mutantion of FSAA complexed with HA and product | | Descriptor: | (3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one, 1-hydroxypropan-2-one, CHLORIDE ION, ... | | Authors: | Wu, L, Yang, X.H, Yu, H.W, Zhou, J.H. | | Deposit date: | 2018-04-13 | | Release date: | 2019-06-12 | | Last modified: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (2.172 Å) | | Cite: | The engineering of decameric d-fructose-6-phosphate aldolase A by combinatorial modulation of inter- and intra-subunit interactions.
Chem.Commun.(Camb.), 56, 2020
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5Y6M
 | | Zika virus helicase in complex with ADP-AlF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Helicase domain from Genome polyprotein, ... | | Authors: | Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T. | | Deposit date: | 2017-08-12 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Mechanism of ATP hydrolysis by the Zika virus helicase.
FASEB J., 32, 2018
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5Y6N
 | | Zika virus helicase in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Helicase domain from Genome polyprotein, MANGANESE (II) ION | | Authors: | Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T. | | Deposit date: | 2017-08-12 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Mechanism of ATP hydrolysis by the Zika virus helicase.
FASEB J., 32, 2018
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4YNA
 | | Oxidized YfiR | | Descriptor: | SULFATE ION, YfiR | | Authors: | Xu, M, Jiang, T. | | Deposit date: | 2015-03-09 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of YfiR from Pseudomonas aeruginosa in two redox states
Biochem.Biophys.Res.Commun., 461, 2015
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4YN9
 | | YfiR mutant-C110S | | Descriptor: | SULFATE ION, YfiR | | Authors: | Xu, M, Jiang, T. | | Deposit date: | 2015-03-09 | | Release date: | 2015-04-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structures of YfiR from Pseudomonas aeruginosa in two redox states
Biochem.Biophys.Res.Commun., 461, 2015
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4Y21
 | | Crystal Structure of Munc13-1 MUN domain | | Descriptor: | Protein unc-13 homolog A | | Authors: | Yang, X.Y, Wang, S, Sheng, Y, Zhang, M, Zou, W.J, Wu, L.J, Kang, L.J, Rizo, J, Zhang, R.G, Xu, T, Ma, C. | | Deposit date: | 2015-02-09 | | Release date: | 2015-06-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Syntaxin opening by the MUN domain underlies the function of Munc13 in synaptic-vesicle priming.
Nat.Struct.Mol.Biol., 22, 2015
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7FEE
 | | Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | | Authors: | Wang, X, Zhao, C, Shao, Z. | | Deposit date: | 2021-07-19 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
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5YUD
 | | Flagellin derivative in complex with the NLR protein NAIP5 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1e, Phase 2 flagellin,Flagellin | | Authors: | Yang, X.R, Yang, F, Wang, W.G, Lin, G.Z. | | Deposit date: | 2017-11-21 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.28 Å) | | Cite: | Structural basis for specific flagellin recognition by the NLR protein NAIP5.
Cell Res., 28, 2018
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7FCZ
 | | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | | Descriptor: | N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-07-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7FD0
 | | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | | Descriptor: | N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-07-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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5D2L
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