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6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
分子名称: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2018-12-05
公開日2019-12-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
6C0B
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BU of 6c0b by Molmil
Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ...
著者Chen, P, Lam, K, Jin, R.
登録日2017-12-28
公開日2018-05-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
6BQG
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BU of 6bqg by Molmil
Crystal structure of 5-HT2C in complex with ergotamine
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine
著者Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z.
登録日2017-11-27
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6BZ4
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BU of 6bz4 by Molmil
Human IgG1 lacking complement-dependent cytotoxicity: hu3S193 Fc mutant K322A
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Farrugia, W, Burvenich, I.G.J, Scott, A.M, Ramsland, P.A.
登録日2017-12-22
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Global conformational changes in IgG-Fc upon mutation of the FcRn-binding site are not associated with altered antibody-dependent effector functions.
Biochem. J., 475, 2018
8HDK
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BU of 8hdk by Molmil
Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine and glutamate (minor class in symmetry)
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, Glutamate receptor ionotropic, ...
著者Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S.
登録日2022-11-04
公開日2023-03-29
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
6BQH
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BU of 6bqh by Molmil
Crystal structure of 5-HT2C in complex with ritanserin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ...
著者Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z.
登録日2017-11-27
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6L1T
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BU of 6l1t by Molmil
Cryo-EM structure of phosphorylated Tyr39 a-synuclein amyloid fibril
分子名称: Alpha-synuclein
著者Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y.
登録日2019-09-30
公開日2020-08-12
最終更新日2020-09-02
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
8HLW
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BU of 8hlw by Molmil
Crystal structure of SIRT3 in complex with H4K16la peptide
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, Histone H4 residues 20-27, NAD-dependent protein deacetylase sirtuin-3, ...
著者Zhuming, F, Hao, Q.
登録日2022-12-01
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of SIRT3 as an eraser of H4K16la.
Iscience, 26, 2023
8HLY
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BU of 8hly by Molmil
Crystal structure of SIRT3 in complex with H3K23la peptide
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Zhuming, F, Hao, Q.
登録日2022-12-01
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of SIRT3 as an eraser of H4K16la.
Iscience, 26, 2023
6L1U
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BU of 6l1u by Molmil
Cryo-EM structure of phosphorylated Tyr39 alpha-synuclein amyloid fibril
分子名称: Alpha-synuclein
著者Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y.
登録日2019-09-30
公開日2020-08-12
最終更新日2020-09-02
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
7WL8
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BU of 7wl8 by Molmil
Mouse Pendrin in chloride and iodide buffer in inward state
分子名称: Pendrin
著者Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G.
登録日2022-01-12
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
8J1V
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BU of 8j1v by Molmil
Cryo-EM structure of SARS-CoV2 Omicron BA.5 spike in complex with 8-9D Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-9D heavy chain, 8-9D light chain, ...
著者Xiang, Y, Li, R.
登録日2023-04-13
公開日2023-11-29
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
8J1T
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BU of 8j1t by Molmil
Local refined cryo-EM structure of Omicron BA.5 RBD in complex with 8-9D Fab
分子名称: 8-9D heavy chain, 8-9D light chain, Spike protein
著者Xiang, Y, Li, R.
登録日2023-04-13
公開日2023-11-29
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
8IWS
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BU of 8iws by Molmil
hSPCA1 in the CaE2P state
分子名称: BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, Calcium-transporting ATPase type 2C member 1, ...
著者Liu, Z.M, Wu, M.Q, Wu, C.
登録日2023-03-31
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
8IWP
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BU of 8iwp by Molmil
hSPCA1 in the CaE1 state
分子名称: CALCIUM ION, Calcium-transporting ATPase type 2C member 1
著者Liu, Z.M, Wu, M.Q, Wu, C.
登録日2023-03-30
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
8IWT
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BU of 8iwt by Molmil
hSPCA1 in the early E2P state
分子名称: BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase type 2C member 1, MAGNESIUM ION
著者Liu, Z.M, Wu, M.Q, Wu, C.
登録日2023-03-31
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
8IWR
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BU of 8iwr by Molmil
hSPCA1 in the CaE1-ATP state
分子名称: CALCIUM ION, Calcium-transporting ATPase type 2C member 1, MAGNESIUM ION, ...
著者Liu, Z.M, Wu, M.Q, Wu, C.
登録日2023-03-31
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
8IWU
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BU of 8iwu by Molmil
hSPCA1 in the E2~P state
分子名称: Calcium-transporting ATPase type 2C member 1, MAGNESIUM ION, TETRAFLUOROALUMINATE ION
著者Liu, Z.M, Wu, M.Q, Wu, C.
登録日2023-03-31
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
8IWW
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BU of 8iww by Molmil
hSPCA1 in the CaE1P-ADP state
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calcium-transporting ATPase type 2C member 1, ...
著者Liu, Z.M, Wu, M.Q, Wu, C.
登録日2023-03-31
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
6DFX
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BU of 6dfx by Molmil
human diabetogenic TCR T1D3 in complex with DQ8-p8E9E peptide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6DFQ
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BU of 6dfq by Molmil
mouse diabetogenic TCR I.29
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, TCR alpha chain, ...
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6DFV
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BU of 6dfv by Molmil
Mouse diabetogenic TCR 8F10
分子名称: 1,2-ETHANEDIOL, TCR alpha chain, TCR beta chain
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
7WL9
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BU of 7wl9 by Molmil
Mouse Pendrin in chloride and bicarbonate in asymmetric state
分子名称: CHLORIDE ION, Pendrin
著者Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G.
登録日2022-01-12
公開日2023-04-12
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
7WK1
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BU of 7wk1 by Molmil
Mouse Pendrin bound chloride in inward state
分子名称: CHLORIDE ION, Pendrin
著者Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G.
登録日2022-01-08
公開日2023-04-12
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
7WL7
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BU of 7wl7 by Molmil
Mouse Pendrin in chloride and bicarbonate buffer in inward state
分子名称: Pendrin
著者Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G.
登録日2022-01-12
公開日2023-04-12
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023

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