7WDD
 
 | | Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
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6YT1
 | | Mtb TMK crystal structure in complex with compound 26 | | Descriptor: | 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide, CITRIC ACID, Thymidylate kinase | | Authors: | Merceron, R, De Munck, S, Jian, Y, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.N. | | Deposit date: | 2020-04-23 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Endeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents.
Eur.J.Med.Chem., 206, 2020
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7BV1
 | | Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | | Authors: | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | | Deposit date: | 2020-04-09 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
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7BV2
 | | The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP) | | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | | Deposit date: | 2020-04-09 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
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6PWC
 | | A complex structure of arrestin-2 bound to neurotensin receptor 1 | | Descriptor: | Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ... | | Authors: | Yin, W, Li, Z, Jin, M, Yin, Y.-L, de Waal, P.W, Pal, K, Gao, X, He, Y, Gao, J, Wang, X, Zhang, Y, Zhou, H, Melcher, K, Jiang, Y, Cong, Y, Zhou, X.E, Yu, X, Xu, H.E. | | Deposit date: | 2019-07-22 | | Release date: | 2019-12-04 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | A complex structure of arrestin-2 bound to a G protein-coupled receptor.
Cell Res., 29, 2019
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8EF5
 | | Fentanyl-bound mu-opioid receptor-Gi complex | | 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: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EF6
 | | Morphine-bound mu-opioid receptor-Gi complex | | Descriptor: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFO
 | | PZM21-bound mu-opioid receptor-Gi complex | | 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: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFL
 | | SR17018-bound mu-opioid receptor-Gi complex | | Descriptor: | 5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFB
 | | Oliceridine-bound mu-opioid receptor-Gi complex | | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFQ
 | | DAMGO-bound mu-opioid receptor-Gi complex | | Descriptor: | DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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7LJC
 | | Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein | | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ... | | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
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7LJD
 | | Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein | | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
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7SQ7
 | | Cryo-EM structure of mouse PI(3,5)P2-bound TRPML1 channel at 2.41 Angstrom resolution | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, ... | | Authors: | Gan, N, Han, Y, Jiang, Y. | | Deposit date: | 2021-11-04 | | Release date: | 2022-02-02 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.41 Å) | | Cite: | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SQ8
 | | Cryo-EM structure of mouse apo TRPML1 channel at 2.598 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION | | Authors: | Gan, N, Han, Y, Jiang, Y. | | Deposit date: | 2021-11-04 | | Release date: | 2022-02-02 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.598 Å) | | Cite: | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SQ9
 | | Cryo-EM structure of mouse temsirolimus/PI(3,5)P2-bound TRPML1 channel at 2.11 Angstrom resolution | | Descriptor: | (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate, (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gan, N, Han, Y, Jiang, Y. | | Deposit date: | 2021-11-04 | | Release date: | 2022-02-02 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.11 Å) | | Cite: | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SQ6
 | | Cryo-EM structure of mouse agonist ML-SA1-bound TRPML1 channel at 2.32 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1, ... | | Authors: | Gan, N, Han, Y, Jiang, Y. | | Deposit date: | 2021-11-04 | | Release date: | 2022-02-02 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.32 Å) | | Cite: | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8SGT
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8SGJ
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7JVQ
 | | Cryo-EM structure of apomorphine-bound dopamine receptor 1 in complex with Gs protein | | Descriptor: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | | Deposit date: | 2020-08-22 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
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7JVP
 | | Cryo-EM structure of SKF-83959-bound dopamine receptor 1 in complex with Gs protein | | Descriptor: | (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | | Deposit date: | 2020-08-22 | | Release date: | 2021-02-24 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
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7JV5
 | | Cryo-EM structure of SKF-81297-bound dopamine receptor 1 in complex with Gs protein | | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | | Deposit date: | 2020-08-20 | | Release date: | 2021-02-24 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
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7JVR
 | | Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein | | Descriptor: | Antibody fragment ScFv16, 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: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | | Deposit date: | 2020-08-22 | | Release date: | 2021-02-24 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
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9JDV
 | | Human URAT1 bound with Uric acid | | Descriptor: | Solute carrier family 22 member 12, URIC ACID | | Authors: | Wu, C, Zhang, C, Jin, S, Wang, J.J, Jiang, Y, Yang, D, Xu, H.E. | | Deposit date: | 2024-09-01 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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9JDY
 | | Human URAT1 bound with verinurad | | Descriptor: | Solute carrier family 22 member 12, verinurad | | Authors: | Wu, C, Zhang, C, Jin, S, Wang, J.J, Dai, A, Jiang, Y, Yang, D, Xu, H.E. | | Deposit date: | 2024-09-01 | | Release date: | 2024-10-16 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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