2W6C
| ACHE IN COMPLEX WITH A BIS-(-)-NOR-MEPTAZINOL DERIVATIVE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol, ... | Authors: | Paz, A, Xie, Q, Greenblatt, H.M, Fu, W, Tang, Y, Silman, I, Qiu, Z, Sussman, J.L. | Deposit date: | 2008-12-18 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | The Crystal Structure of a Complex of Acetylcholinesterase with a Bis-(-)-Nor-Meptazinol Derivative Reveals Disruption of the Catalytic Triad. J.Med.Chem., 52, 2009
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8KH4
| Cryo-EM structure of the GPR161-Gs complex | Descriptor: | CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Nie, Y, Qiu, Z, Zheng, S, Chen, S. | Deposit date: | 2023-08-21 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling. Nat Commun, 14, 2023
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8KGK
| Cryo-EM structure of the GPR61-Gs complex | Descriptor: | G-protein coupled receptor 61, 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: | Nie, Y, Qiu, Z, Zheng, S. | Deposit date: | 2023-08-19 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling. Nat Commun, 14, 2023
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8KH5
| Cryo-EM structure of the GPR174-Gs complex bound to endogenous lysoPS | 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: | Nie, Y, Qiu, Z, Zheng, S, Chen, S. | Deposit date: | 2023-08-21 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling. Nat Commun, 14, 2023
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5GMZ
| Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | Descriptor: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2016-07-18 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors J.Med.Chem., 59, 2016
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2V8L
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2V8M
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2VQ4
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8EQ4
| Human PAC in nanodisc at pH 4.0 with PI(4,5)P2 diC8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel, [(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: | Ruan, Z, Lu, W. | Deposit date: | 2022-10-07 | Release date: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Inhibition of the proton-activated chloride channel PAC by PIP 2. Elife, 12, 2023
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7JNC
| cryo-EM structure of human proton-activated chloride channel PAC at pH 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel | Authors: | Lu, W, Ruan, R, Du, J. | Deposit date: | 2020-08-04 | Release date: | 2020-11-11 | Last modified: | 2020-12-23 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Structures and pH-sensing mechanism of the proton-activated chloride channel. Nature, 588, 2020
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7JNA
| Cryo-EM structure of human proton-activated chloride channel PAC at pH 8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel | Authors: | Lu, W, Ruan, R, Du, J. | Deposit date: | 2020-08-04 | Release date: | 2020-11-11 | Last modified: | 2020-12-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures and pH-sensing mechanism of the proton-activated chloride channel. Nature, 588, 2020
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8FBL
| Human PAC in nanodisc at pH 4.0 with PI(4,5)P2 diC8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel, [(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: | Ruan, Z, Lu, W. | Deposit date: | 2022-11-29 | Release date: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Inhibition of the proton-activated chloride channel PAC by PIP 2. Elife, 12, 2023
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6DJB
| Structure of human Volume Regulated Anion Channel composed of SWELL1 (LRRC8A) | Descriptor: | Volume-regulated anion channel subunit LRRC8A | Authors: | Kefauver, J.M, Saotome, K, Pallesen, J, Cottrell, C.A, Ward, A.B, Patapoutian, A. | Deposit date: | 2018-05-24 | Release date: | 2018-08-15 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure of the human volume regulated anion channel. Elife, 7, 2018
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3M8P
| HIV-1 RT with NNRTI TMC-125 | Descriptor: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Harris, S.F, Villasenor, A. | Deposit date: | 2010-03-18 | Release date: | 2010-05-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
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3M8Q
| HIV-1 RT with AMINOPYRIMIDINE NNRTI | Descriptor: | 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Harris, S.F, Villasenor, A. | Deposit date: | 2010-03-18 | Release date: | 2010-05-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
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3NBP
| HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2 | Descriptor: | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Harris, S.F, Villasenor, A.G. | Deposit date: | 2010-06-03 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
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6LB8
| Crystal structure of the Ca2+-free T4L-MICU1-MICU2 complex | Descriptor: | Calcium uptake protein 2, mitochondrial, Endolysin,Calcium uptake protein 1 | Authors: | Wu, W, Shen, Q, Zheng, J, Jia, Z. | Deposit date: | 2019-11-13 | Release date: | 2020-07-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.283 Å) | Cite: | The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter. Embo J., 39, 2020
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6LB7
| Crystal structure of the Ca2+-free and Ca2+-bound MICU1-MICU2 complex | Descriptor: | CALCIUM ION, Calcium uptake protein 1, mitochondrial, ... | Authors: | Wu, W, Shen, Q, Zheng, J, Jia, Z. | Deposit date: | 2019-11-13 | Release date: | 2020-07-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter. Embo J., 39, 2020
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8I0C
| Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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6IIH
| crystal structure of mitochondrial calcium uptake 2(MICU2) | Descriptor: | CALCIUM ION, Endolysin,Calcium uptake protein 2, mitochondrial | Authors: | Shen, Q, Wu, W, Zheng, J, Jia, Z. | Deposit date: | 2018-10-06 | Release date: | 2019-08-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.958 Å) | Cite: | The crystal structure of MICU2 provides insight into Ca2+binding and MICU1-MICU2 heterodimer formation. Embo Rep., 20, 2019
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3VTP
| HIV fusion inhibitor MT-C34 | Descriptor: | Transmembrane protein gp41 | Authors: | Yao, X, Waltersperger, S, Wang, M, Cui, S. | Deposit date: | 2012-06-02 | Release date: | 2012-08-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The M-T hook structure is critical for design of HIV-1 fusion inhibitors. J.Biol.Chem., 287, 2012
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3VGX
| Structure of gp41 T21/Cp621-652 | Descriptor: | ACETIC ACID, Envelope glycoprotein gp160, GLYCEROL | Authors: | Yao, X, Waltersperger, S, Wang, M, Cui, S. | Deposit date: | 2011-08-22 | Release date: | 2012-04-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of critical residues for viral entry and inhibition through structural Insight of HIV-1 fusion inhibitor CP621-652. J.Biol.Chem., 287, 2012
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3VH7
| Structure of HIV-1 gp41 NHR/fusion inhibitor complex P21 | Descriptor: | CP32M, Envelope glycoprotein gp160, MAGNESIUM ION | Authors: | Yao, X, Waltersperger, S, Wang, M.T, Cui, S. | Deposit date: | 2011-08-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.019 Å) | Cite: | Structural basis of potent and broad HIV-1 fusion inhibitor CP32M J.Biol.Chem., 287, 2012
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3VGY
| Structure of HIV-1 gp41 NHR/fusion inhibitor complex P321 | Descriptor: | CP32M, Envelope glycoprotein gp160, SULFATE ION | Authors: | Yao, X, Waltersperger, S, Wang, M.T, Cui, S. | Deposit date: | 2011-08-22 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.034 Å) | Cite: | Structural basis of potent and broad HIV-1 fusion inhibitor CP32M J.Biol.Chem., 287, 2012
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3VU5
| Short peptide HIV entry Inhibitor SC22EK | Descriptor: | AMMONIUM ION, SC22, SULFATE ION, ... | Authors: | Yao, X, Chong, H.H, Waltersperger, S, Wang, M.T, He, Y.X, Cui, S. | Deposit date: | 2012-06-19 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.087 Å) | Cite: | Short-peptide fusion inhibitors with high potency against wild-type and enfuvirtide-resistant HIV-1 Faseb J., 27, 2013
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