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6BCJ
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BU of 6bcj by Molmil
cryo-EM structure of TRPM4 in apo state with short coiled coil at 3.1 angstrom resolution
分子名称: SODIUM ION, Transient receptor potential cation channel subfamily M member 4
著者Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y.
登録日2017-10-20
公開日2017-12-13
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
6MKM
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BU of 6mkm by Molmil
Crystallographic solvent mapping analysis of DMSO/Tris bound to APE1
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ...
著者Georgiadis, M.M, He, H, Chen, Q.
登録日2018-09-25
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.673 Å)
主引用文献Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
6BCQ
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BU of 6bcq by Molmil
cryo-EM structure of TRPM4 in ATP bound state with long coiled coil at 3.3 angstrom resolution
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily M member 4
著者Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y.
登録日2017-10-20
公開日2017-12-13
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
6MK3
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BU of 6mk3 by Molmil
Crystallographic solvent mapping analysis of DMSO bound to APE1
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase
著者Georgiadis, M.M, He, H, Chen, Q.
登録日2018-09-24
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.478 Å)
主引用文献Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
6MKO
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BU of 6mko by Molmil
Crystallographic solvent mapping analysis of glycerol bound to APE1
分子名称: DNA-(apurinic or apyrimidinic site) lyase, GLYCEROL
著者Georgiadis, M.M, He, H, Chen, Q.
登録日2018-09-25
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
6BCO
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BU of 6bco by Molmil
cryo-EM structure of TRPM4 in ATP bound state with short coiled coil at 2.9 angstrom resolution
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily M member 4
著者Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y.
登録日2017-10-20
公開日2017-12-13
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
6MKK
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BU of 6mkk by Molmil
Crystallographic solvent mapping analysis of DMSO/Mg bound to APE1
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase, ...
著者Georgiadis, M.M, He, H, Chen, Q.
登録日2018-09-25
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.442 Å)
主引用文献Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
3RQW
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BU of 3rqw by Molmil
Crystal structure of acetylcholine bound to a prokaryotic pentameric ligand-gated ion channel, ELIC
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYLCHOLINE, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, ...
著者Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P.
登録日2011-04-28
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.913 Å)
主引用文献Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine.
Nat Commun, 3, 2012
3RQU
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Crystal structure of a prokaryotic pentameric ligand-gated ion channel, ELIC
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, GLYCEROL
著者Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P.
登録日2011-04-28
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.089 Å)
主引用文献Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine.
Nat Commun, 3, 2012
6BT5
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BU of 6bt5 by Molmil
Human mGlu8 Receptor complexed with L-AP4
分子名称: (2S)-2-amino-4-phosphonobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 8
著者Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J.
登録日2017-12-05
公開日2018-02-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
6NQ0
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BU of 6nq0 by Molmil
Cryo-EM structure of human TPC2 channel in the ligand-bound open state
分子名称: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Two pore calcium channel protein 2
著者She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y.
登録日2019-01-18
公開日2019-03-27
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
6C9A
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BU of 6c9a by Molmil
Cryo-EM structure of mouse TPC1 channel in the PtdIns(3,5)P2-bound state
分子名称: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 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She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y.
登録日2018-01-25
公開日2018-04-04
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel.
Nature, 556, 2018
6BSZ
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BU of 6bsz by Molmil
Human mGlu8 Receptor complexed with glutamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 8, ...
著者Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J.
登録日2017-12-04
公開日2018-02-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
6NQ2
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BU of 6nq2 by Molmil
Cryo-EM structure of human TPC2 channel in the ligand-bound closed state
分子名称: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Two pore calcium channel protein 2
著者She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y.
登録日2019-01-18
公開日2019-03-27
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
6NQ1
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BU of 6nq1 by Molmil
Cryo-EM structure of human TPC2 channel in the apo state
分子名称: Two pore calcium channel protein 2
著者She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y.
登録日2019-01-18
公開日2019-03-27
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
6C96
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BU of 6c96 by Molmil
Cryo-EM structure of mouse TPC1 channel in the apo state
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, SODIUM ION, ...
著者She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y.
登録日2018-01-25
公開日2018-04-04
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel.
Nature, 556, 2018
5H7O
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BU of 5h7o by Molmil
Crystal structure of DJ-101 in complex with tubulin protein
分子名称: 2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Arnst, K, Wang, Y, Hwang, D.-J, Xue, Y, Costello, T, Hamilton, D, Chen, Q, Yang, J, Park, F, Dalton, J.T, Miller, D.D, Li, W.
登録日2016-11-20
公開日2017-12-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Potent, Metabolically Stable Tubulin Inhibitor Targets the Colchicine Binding Site and Overcomes Taxane Resistance.
Cancer Res., 78, 2018
5H74
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BU of 5h74 by Molmil
Crystal structure of T2R-TTL-14b complex
分子名称: (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[hexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Yu, Y, Chen, Q, Yang, J.
登録日2016-11-17
公開日2017-11-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Activity Relationship Studies of Tubulysin Analogues: Anticancer N-Alkyltubulysins with Subpicomolar Activity and the Crystal Structure Binding to Tubulin
To Be Published
4OB6
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BU of 4ob6 by Molmil
Complex structure of esterase rPPE S159A/W187H and substrate (S)-Ac-CPA
分子名称: (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid, Alpha/beta hydrolase fold-3 domain protein
著者Dou, S, Kong, X.D, Ma, B.D, Chen, Q, Zhou, J.H, Xu, J.H.
登録日2014-01-07
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of Pseudomonas putida esterase reveal the functional role of residues 187 and 287 in substrate binding and chiral recognition
Biochem.Biophys.Res.Commun., 446, 2014
4O98
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BU of 4o98 by Molmil
Crystal structure of Pseudomonas oleovorans PoOPH mutant H250I/I263W
分子名称: ZINC ION, organophosphorus hydrolase
著者Luo, X.J, Kong, X.D, Zhao, J, Chen, Q, Zhou, J.H, Xu, J.H.
登録日2014-01-02
公開日2014-12-03
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Switching a newly discovered lactonase into an efficient and thermostable phosphotriesterase by simple double mutations His250Ile/Ile263Trp
Biotechnol.Bioeng., 111, 2014
6K9V
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BU of 6k9v by Molmil
Crystal structure of tubulin in complex with inhibitor D64
分子名称: (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yu, Y, Chen, Q.
登録日2019-06-18
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.543 Å)
主引用文献Structural insights into the design of indole derivatives as tubulin polymerization inhibitors.
Febs Lett., 594, 2020
4QXW
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BU of 4qxw by Molmil
Crystal structure of the human CEACAM1 membrane distal amino terminal (N)-domain
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID, octyl beta-D-glucopyranoside
著者Huang, Y.H, Gandhi, A.K, Russell, A, Kondo, Y, Chen, Q, Petsko, G.A, Blumberg, R.S.
登録日2014-07-22
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献CEACAM1 regulates TIM-3-mediated tolerance and exhaustion.
Nature, 517, 2015
4QHE
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BU of 4qhe by Molmil
Crystal structure of Mg2+ bound human APE1
分子名称: 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION
著者He, H, Chen, Q, Georgiadis, M.M.
登録日2014-05-28
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution crystal structures reveal plasticity in the metal binding site of apurinic/apyrimidinic endonuclease I.
Biochemistry, 53, 2014
4QHD
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BU of 4qhd by Molmil
Crystal structure of apo human APE1
分子名称: 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) lyase
著者He, H, Chen, Q, Georgiadis, M.M.
登録日2014-05-28
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-resolution crystal structures reveal plasticity in the metal binding site of apurinic/apyrimidinic endonuclease I.
Biochemistry, 53, 2014
7CE8
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BU of 7ce8 by Molmil
Crystal structure of T2R-TTL-Compound11 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-22
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.725 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022

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