8GVK
 
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7E21
 | | Cryo EM structure of a Na+-bound Na+,K+-ATPase in the E1 state with ATP-gamma-S | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q. | | Deposit date: | 2021-02-04 | | Release date: | 2022-06-15 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states.
Nat Commun, 13, 2022
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7E20
 | | Cryo EM structure of a K+-bound Na+,K+-ATPase in the E2 state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q. | | Deposit date: | 2021-02-04 | | Release date: | 2022-06-15 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states.
Nat Commun, 13, 2022
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7E1Z
 | | Cryo EM structure of a Na+-bound Na+,K+-ATPase in the E1 state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q. | | Deposit date: | 2021-02-04 | | Release date: | 2022-06-15 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states.
Nat Commun, 13, 2022
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8HKQ
 | | ion channel | | Descriptor: | POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ... | | Authors: | Jiang, D.H, Zhang, J.T. | | Deposit date: | 2022-11-27 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
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8HKK
 | | ion channel | | Descriptor: | POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ... | | Authors: | Jiang, D.H, Zhang, J.T. | | Deposit date: | 2022-11-27 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
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8HKF
 | | ion channel | | Descriptor: | POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION | | Authors: | Jiang, D.H, Zhang, Z.T. | | Deposit date: | 2022-11-25 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
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8HKM
 | | ion channel | | Descriptor: | POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION, ... | | Authors: | Jiang, D.H, Zhang, J.T. | | Deposit date: | 2022-11-27 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
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8HK6
 | | potassium channel | | Descriptor: | POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION | | Authors: | Jiang, D.H, Zhang, J.T. | | Deposit date: | 2022-11-25 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
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8HIR
 | | potassium channels | | Descriptor: | POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ... | | Authors: | Jiang, D.H, Zhang, J.T. | | Deposit date: | 2022-11-21 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
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7MBO
 | | FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.924 Å) | | Cite: | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
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6W50
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2020-03-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
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5QTT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-10-16 | | Release date: | 2019-12-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
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5QTU
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-10-16 | | Release date: | 2019-12-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
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2Y7L
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2YLH
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5QTX
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-13 | | Release date: | 2020-01-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
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5QTY
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-13 | | Release date: | 2020-01-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
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2Y7O
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2Y7M
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2Y7N
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8JSW
 | | Human VMAT2 complex with serotonin | | Descriptor: | SEROTONIN, Synaptic vesicular amine transporter | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-20 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JTC
 | | Human VMAT2 complex with reserpine | | Descriptor: | Synaptic vesicular amine transporter, reserpine | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JT9
 | | Human VMAT2 complex with ketanserin | | Descriptor: | 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JTA
 | | Human VMAT2 complex with tetrabenazine | | Descriptor: | Synaptic vesicular amine transporter, tetrabenazine | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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