8J01
| Human KCNQ2-CaM in complex with CBD and PIP2 | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | Authors: | Ma, D, Li, X, Guo, J. | Deposit date: | 2023-04-09 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Ligand activation mechanisms of human KCNQ2 channel. Nat Commun, 14, 2023
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8IJK
| human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | Descriptor: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | Authors: | Ma, D, Guo, J. | Deposit date: | 2023-02-27 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 2024
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7CLD
| Crystal structure of T2R-TTL-Cevipabulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, CALCIUM ION, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-07-20 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.611 Å) | Cite: | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect. Sci Adv, 7, 2021
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7DP8
| Crystal structure of T2R-TTL-Cevipabulin-eribulin complex | Descriptor: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-12-18 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.446 Å) | Cite: | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect. Sci Adv, 7, 2021
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6KRG
| Crystal structure of sfGFP Y182TMSiPhe | Descriptor: | CHLORIDE ION, GLYCEROL, Green fluorescent protein, ... | Authors: | Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P. | Deposit date: | 2019-08-21 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe. Nat Commun, 11, 2020
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4JPW
| Crystal structure of broadly and potently neutralizing antibody 12a21 in complex with hiv-1 strain 93th057 gp120 mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY 12A21, ... | Authors: | Acharya, P, Luongo, T, Zhou, T, Kwong, P.D. | Deposit date: | 2013-03-19 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.904 Å) | Cite: | Somatic mutations of the immunoglobulin framework are generally required for broad and potent HIV-1 neutralization. Cell(Cambridge,Mass.), 153, 2013
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3B54
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6O8I
| BTK In Complex With Inhibitor | Descriptor: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | Authors: | Pokross, M, Tebben, A.J, Watterson, S.H. | Deposit date: | 2019-03-11 | Release date: | 2019-04-03 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK). J. Med. Chem., 62, 2019
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7R5O
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3CMI
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7RCB
| Crystal Structure of a PMS2 VUS | Descriptor: | Mismatch repair endonuclease PMS2 | Authors: | D'Arcy, B.M, Prakash, A. | Deposit date: | 2021-07-07 | Release date: | 2022-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PMS2 variant results in loss of ATPase activity without compromising mismatch repair. Mol Genet Genomic Med, 10, 2022
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7RCK
| Crystal Structure of PMS2 with Substrate | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mismatch repair endonuclease PMS2 | Authors: | D'Arcy, B.M, Prakash, A. | Deposit date: | 2021-07-07 | Release date: | 2022-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | PMS2 variant results in loss of ATPase activity without compromising mismatch repair. Mol Genet Genomic Med, 10, 2022
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7RCI
| Crystal Structure of a PMS2 VUS with Substrate | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mismatch repair endonuclease PMS2 | Authors: | D'Arcy, B.M, Prakash, A. | Deposit date: | 2021-07-07 | Release date: | 2022-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | PMS2 variant results in loss of ATPase activity without compromising mismatch repair. Mol Genet Genomic Med, 10, 2022
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6PZB
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6PZI
| Cryo-EM structure of the pancreatic beta-cell SUR1 bound to ATP only | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8 | Authors: | Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W. | Deposit date: | 2019-07-31 | Release date: | 2019-08-14 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM. Elife, 8, 2019
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6PZA
| Cryo-EM structure of the pancreatic beta-cell SUR1 bound to ATP and glibenclamide | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | Authors: | Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W. | Deposit date: | 2019-07-31 | Release date: | 2019-08-14 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM. Elife, 8, 2019
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7RU6
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7RUG
| Human SERINC3-DeltaICL4 | Descriptor: | Serine incorporator 3, SiA | Authors: | Purdy, M.D, Leonhardt, S.A, Yeager, M. | Deposit date: | 2021-08-17 | Release date: | 2022-08-24 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Antiviral HIV-1 SERINC restriction factors disrupt virus membrane asymmetry. Nat Commun, 14, 2023
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6PZ9
| Cryo-EM structure of the pancreatic beta-cell SUR1 bound to ATP and repaglinide | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ATP-sensitive inward rectifier potassium channel 11, ... | Authors: | Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W. | Deposit date: | 2019-07-31 | Release date: | 2019-08-14 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM. Elife, 8, 2019
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4P7I
| Crystal structure of the Merlin FERM/DCAF1 complex | Descriptor: | GLYCEROL, Merlin, Protein VPRBP | Authors: | Wei, Z, Li, Y, Zhang, M. | Deposit date: | 2014-03-27 | Release date: | 2014-04-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of the binding of Merlin FERM domain to the E3 ubiquitin ligase substrate adaptor DCAF1. J.Biol.Chem., 289, 2014
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6CM3
| BG505 SOSIP in complex with sCD4, 17b, 8ANC195 | Descriptor: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, H, Bjorkman, P.J. | Deposit date: | 2018-03-02 | Release date: | 2018-10-17 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Partially Open HIV-1 Envelope Structures Exhibit Conformational Changes Relevant for Coreceptor Binding and Fusion. Cell Host Microbe, 24, 2018
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4X7I
| Crystal Structure of BACE with amino thiazine inhibitor LY2886721 | Descriptor: | Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | Authors: | Timm, D.E. | Deposit date: | 2014-12-09 | Release date: | 2014-12-24 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans. J.Neurosci., 35, 2015
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6EDX
| Crystal Structure of SGK3 PX domain | Descriptor: | GLYCEROL, Serine/threonine-protein kinase Sgk3 | Authors: | Chandra, M, Collins, B.M. | Deposit date: | 2018-08-12 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.009 Å) | Cite: | Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities. Nat Commun, 10, 2019
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6EE0
| Crystal Structure of SNX23 PX domain | Descriptor: | Kinesin-like protein KIF16B | Authors: | Chandra, M, Collins, B.M. | Deposit date: | 2018-08-12 | Release date: | 2018-08-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.518 Å) | Cite: | Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities. Nat Commun, 10, 2019
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6EDU
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