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2W6C
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ACHE IN COMPLEX WITH A BIS-(-)-NOR-MEPTAZINOL DERIVATIVE
分子名称: 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, ...
著者Paz, A, Xie, Q, Greenblatt, H.M, Fu, W, Tang, Y, Silman, I, Qiu, Z, Sussman, J.L.
登録日2008-12-18
公開日2009-04-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献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
8KH5
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BU of 8kh5 by Molmil
Cryo-EM structure of the GPR174-Gs complex bound to endogenous lysoPS
分子名称: 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, ...
著者Nie, Y, Qiu, Z, Zheng, S, Chen, S.
登録日2023-08-21
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
8KGK
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BU of 8kgk by Molmil
Cryo-EM structure of the GPR61-Gs complex
分子名称: 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, ...
著者Nie, Y, Qiu, Z, Zheng, S.
登録日2023-08-19
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
8KH4
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Cryo-EM structure of the GPR161-Gs complex
分子名称: CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Nie, Y, Qiu, Z, Zheng, S, Chen, S.
登録日2023-08-21
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
5GMZ
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BU of 5gmz by Molmil
Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine
分子名称: (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, ...
著者Xu, Z.H, Zhou, Z.
登録日2016-07-18
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
6LOX
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BU of 6lox by Molmil
Crystal Structure of human glutaminase with macrocyclic inhibitor
分子名称: (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione, Glutaminase kidney isoform, mitochondrial
著者Bian, J, Li, Z, Xu, X, Wang, J, Li, L.
登録日2020-01-07
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-Enabled Discovery of Novel Macrocyclic Inhibitors Targeting Glutaminase 1 Allosteric Binding Site.
J.Med.Chem., 64, 2021
6DJB
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Structure of human Volume Regulated Anion Channel composed of SWELL1 (LRRC8A)
分子名称: Volume-regulated anion channel subunit LRRC8A
著者Kefauver, J.M, Saotome, K, Pallesen, J, Cottrell, C.A, Ward, A.B, Patapoutian, A.
登録日2018-05-24
公開日2018-08-15
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structure of the human volume regulated anion channel.
Elife, 7, 2018
8EQ4
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Human PAC in nanodisc at pH 4.0 with PI(4,5)P2 diC8
分子名称: 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
著者Ruan, Z, Lu, W.
登録日2022-10-07
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Inhibition of the proton-activated chloride channel PAC by PIP 2.
Elife, 12, 2023
8FBL
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Human PAC in nanodisc at pH 4.0 with PI(4,5)P2 diC8
分子名称: 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
著者Ruan, Z, Lu, W.
登録日2022-11-29
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Inhibition of the proton-activated chloride channel PAC by PIP 2.
Elife, 12, 2023
6LB8
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BU of 6lb8 by Molmil
Crystal structure of the Ca2+-free T4L-MICU1-MICU2 complex
分子名称: Calcium uptake protein 2, mitochondrial, Endolysin,Calcium uptake protein 1
著者Wu, W, Shen, Q, Zheng, J, Jia, Z.
登録日2019-11-13
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.283 Å)
主引用文献The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter.
Embo J., 39, 2020
6LB7
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BU of 6lb7 by Molmil
Crystal structure of the Ca2+-free and Ca2+-bound MICU1-MICU2 complex
分子名称: CALCIUM ION, Calcium uptake protein 1, mitochondrial, ...
著者Wu, W, Shen, Q, Zheng, J, Jia, Z.
登録日2019-11-13
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter.
Embo J., 39, 2020
7JNA
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BU of 7jna by Molmil
Cryo-EM structure of human proton-activated chloride channel PAC at pH 8
分子名称: 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
著者Lu, W, Ruan, R, Du, J.
登録日2020-08-04
公開日2020-11-11
最終更新日2020-12-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures and pH-sensing mechanism of the proton-activated chloride channel.
Nature, 588, 2020
7JNC
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cryo-EM structure of human proton-activated chloride channel PAC at pH 4
分子名称: 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
著者Lu, W, Ruan, R, Du, J.
登録日2020-08-04
公開日2020-11-11
最終更新日2020-12-23
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Structures and pH-sensing mechanism of the proton-activated chloride channel.
Nature, 588, 2020
2V8L
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BU of 2v8l by Molmil
Carbohydrate-binding of the starch binding domain of Rhizopus oryzae glucoamylase in complex with beta-cyclodextrin and maltoheptaose
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLUCOAMYLASE A, ZINC ION
著者Tung, J.-Y, Liu, Y.-Y, Sun, Y.-J.
登録日2007-08-09
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of the Starch-Binding Domain from Rhizopus Oryzae Glucoamylase Reveal a Polysaccharide-Binding Path.
Biochem.J., 416, 2008
2V8M
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BU of 2v8m by Molmil
Carbohydrate-binding of the starch binding domain of Rhizopus oryzae glucoamylase in complex with beta-cyclodextrin and maltoheptaose
分子名称: GLUCOAMYLASE A, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Tung, J.-Y, Liu, Y.-Y, Sun, Y.-J.
登録日2007-08-09
公開日2008-08-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of the Starch-Binding Domain from Rhizopus Oryzae Glucoamylase Reveal a Polysaccharide-Binding Path.
Biochem.J., 416, 2008
2VQ4
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BU of 2vq4 by Molmil
Carbohydrate-binding of the starch binding domain of Rhizopus oryzae glucoamylase in complex with beta-cyclodextrin and maltoheptaose
分子名称: GLUCOAMYLASE A
著者Tung, J.-Y, Liu, Y.-Y, Sun, Y.-J.
登録日2008-03-11
公開日2009-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structures of the Starch-Binding Domain from Rhizopus Oryzae Glucoamylase Reveal a Polysaccharide-Binding Path.
Biochem.J., 416, 2008
3M8P
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BU of 3m8p by Molmil
HIV-1 RT with NNRTI TMC-125
分子名称: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse transcriptase/ribonuclease H, p51 RT
著者Harris, S.F, Villasenor, A.
登録日2010-03-18
公開日2010-05-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献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
3M8Q
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BU of 3m8q by Molmil
HIV-1 RT with AMINOPYRIMIDINE NNRTI
分子名称: 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Harris, S.F, Villasenor, A.
登録日2010-03-18
公開日2010-05-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
3NBP
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BU of 3nbp by Molmil
HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2
分子名称: 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Harris, S.F, Villasenor, A.G.
登録日2010-06-03
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献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
6IIH
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BU of 6iih by Molmil
crystal structure of mitochondrial calcium uptake 2(MICU2)
分子名称: CALCIUM ION, Endolysin,Calcium uptake protein 2, mitochondrial
著者Shen, Q, Wu, W, Zheng, J, Jia, Z.
登録日2018-10-06
公開日2019-08-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.958 Å)
主引用文献The crystal structure of MICU2 provides insight into Ca2+binding and MICU1-MICU2 heterodimer formation.
Embo Rep., 20, 2019
3VU6
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BU of 3vu6 by Molmil
Short peptide HIV entry inhibitor MT-SC22EK with a M-T hook
分子名称: MTSC22, SULFATE ION, Transmembrane protein gp41
著者Yao, X, Chong, H.H, Waltersperger, S, Wang, M.T, He, Y.X, Cui, S.
登録日2012-06-19
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.324 Å)
主引用文献Short-peptide fusion inhibitors with high potency against wild-type and enfuvirtide-resistant HIV-1
Faseb J., 27, 2013
3VGX
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Structure of gp41 T21/Cp621-652
分子名称: ACETIC ACID, Envelope glycoprotein gp160, GLYCEROL
著者Yao, X, Waltersperger, S, Wang, M, Cui, S.
登録日2011-08-22
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of critical residues for viral entry and inhibition through structural Insight of HIV-1 fusion inhibitor CP621-652.
J.Biol.Chem., 287, 2012
3VH7
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Structure of HIV-1 gp41 NHR/fusion inhibitor complex P21
分子名称: CP32M, Envelope glycoprotein gp160, MAGNESIUM ION
著者Yao, X, Waltersperger, S, Wang, M.T, Cui, S.
登録日2011-08-23
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.019 Å)
主引用文献Structural basis of potent and broad HIV-1 fusion inhibitor CP32M
J.Biol.Chem., 287, 2012
3VTP
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HIV fusion inhibitor MT-C34
分子名称: Transmembrane protein gp41
著者Yao, X, Waltersperger, S, Wang, M, Cui, S.
登録日2012-06-02
公開日2012-08-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The M-T hook structure is critical for design of HIV-1 fusion inhibitors.
J.Biol.Chem., 287, 2012
3VGY
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Structure of HIV-1 gp41 NHR/fusion inhibitor complex P321
分子名称: CP32M, Envelope glycoprotein gp160, SULFATE ION
著者Yao, X, Waltersperger, S, Wang, M.T, Cui, S.
登録日2011-08-22
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.034 Å)
主引用文献Structural basis of potent and broad HIV-1 fusion inhibitor CP32M
J.Biol.Chem., 287, 2012

 

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