8INY
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Lin, M, Liu, X. | Deposit date: | 2023-03-10 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir To Be Published
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8INQ
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8IWK
| ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | Authors: | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | Deposit date: | 2023-03-30 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state To Be Published
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8IWJ
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8IWN
| ABCG25 EQ mutant in ATP-bound state | Descriptor: | ABC transporter G family member 25, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | Deposit date: | 2023-03-30 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | ABCG25 EQ mutant in ATP-bound state To Be Published
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6KGT
| Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with faropenem | Descriptor: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.308 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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6KGU
| Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with aztreonam | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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6KGV
| Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with amoxicillin | Descriptor: | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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6KGH
| Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis (apo-form) | Descriptor: | COBALT (II) ION, Penicillin-binding protein PbpB, SODIUM ION | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-11 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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6KGS
| Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with meropenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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6KGW
| Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with ampicillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.407 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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6L02
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7XKA
| Structure of human beta2 adrenergic receptor bound to constrained epinephrine | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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7XK9
| Structure of human beta2 adrenergic receptor bound to constrained isoproterenol | Descriptor: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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7YKS
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7YKR
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7WNQ
| Cryo-EM structure of AtSLAC1 S59A mutant | Descriptor: | Guard cell S-type anion channel SLAC1 | Authors: | Sun, L, Liu, X, Li, Y. | Deposit date: | 2022-01-19 | Release date: | 2022-04-13 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the Arabidopsis guard cell anion channel SLAC1 suggests activation mechanism by phosphorylation. Nat Commun, 13, 2022
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7BZH
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7TKU
| Structure of the yeast clamp loader (Replication Factor C RFC) bound to the open sliding clamp (Proliferating Cell Nuclear Antigen PCNA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | Deposit date: | 2022-01-17 | Release date: | 2022-02-16 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader. Elife, 11, 2022
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7VP8
| Crystal structure of ferritin from Ureaplasma urealyticum | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin-like diiron domain-containing protein | Authors: | Wang, W, Liu, X, Wang, Y, Fu, D, Wang, H. | Deposit date: | 2021-10-15 | Release date: | 2022-08-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Distinct structural characteristics define a new subfamily of Mycoplasma ferritin Chin.Chem.Lett., 33, 2022
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7WC8
| Crystal structure of serotonin 2A receptor in complex with lumateperone | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7WC4
| Crystal structure of serotonin 2A receptor in complex with serotonin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7WC6
| Crystal structure of serotonin 2A receptor in complex with LSD | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7WC5
| Crystal structure of serotonin 2A receptor in complex with psilocin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7WC7
| Crystal structure of serotonin 2A receptor in complex with lisuride | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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