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7D9Q
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BU of 7d9q by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7
分子名称: (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9P
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BU of 7d9p by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12
分子名称: (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9O
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BU of 7d9o by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2
分子名称: (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
6L77
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BU of 6l77 by Molmil
Crystal structure of MS5 from Brassica napus
分子名称: MS5a
著者Wang, X, Guan, Z.Y, Yin, P.
登録日2019-10-31
公開日2020-06-03
最終更新日2020-12-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the meiosis-related protein MS5 reveals non-canonical papain enhancement by cystatin-like folds.
Febs Lett., 594, 2020
4WWP
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BU of 4wwp by Molmil
Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine
分子名称: GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ...
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4WWN
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BU of 4wwn by Molmil
Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor
分子名称: N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
7D3Y
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BU of 7d3y by Molmil
Crystal structure of the osPHR2-osSPX2 complex
分子名称: INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 2,Isoform 1 of Core histone macro-H2A.1
著者Zhang, Q.X, Guan, Z.Y, Zuo, J.Q, Zhang, Z.F, Liu, Z.
登録日2020-09-21
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
7D3T
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BU of 7d3t by Molmil
Crystal structure of OSPHR2 in complex with DNA
分子名称: DNA (5'-D(P*CP*TP*CP*GP*GP*AP*TP*AP*TP*CP*CP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*GP*CP*TP*TP*GP*AP*GP*GP*AP*TP*AP*TP*CP*CP*GP*A)-3'), Protein PHOSPHATE STARVATION RESPONSE 2
著者Guan, Z.Y, Zhang, Z.F, Liu, Z.
登録日2020-09-20
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
7CPV
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BU of 7cpv by Molmil
Cryo-EM structure of 80S ribosome from mouse testis
分子名称: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
著者Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
登録日2020-08-08
公開日2022-02-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
7CPU
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BU of 7cpu by Molmil
Cryo-EM structure of 80S ribosome from mouse kidney
分子名称: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
著者Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
登録日2020-08-08
公開日2022-02-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
7D5K
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BU of 7d5k by Molmil
CryoEM structure of cotton cellulose synthase isoform 7
分子名称: Cellulose synthase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Guan, Z.Y, Xue, Y, Yin, P, Zhang, X.L.
登録日2020-09-26
公開日2021-07-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into homotrimeric assembly of cellulose synthase CesA7 from Gossypium hirsutum.
Plant Biotechnol J, 19, 2021
7DEG
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BU of 7deg by Molmil
Cryo-EM structure of a heme-copper terminal oxidase dimer provides insights into its catalytic mechanism
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione, ...
著者Fei, S, Hartmut, M, Yun, Z, Guoliang, Z, Shuangbo, Z.
登録日2020-11-04
公開日2021-08-04
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The Unusual Homodimer of a Heme-Copper Terminal Oxidase Allows Itself to Utilize Two Electron Donors.
Angew.Chem.Int.Ed.Engl., 60, 2021
8TBH
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BU of 8tbh by Molmil
Tricomplex of RMC-7977, KRAS G12R, and CypA
分子名称: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者Bar Ziv, T, Zhang, D, Tomlinson, A.C.A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
7DQ7
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BU of 7dq7 by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 5F5
分子名称: 5F5 VH, 5F5 VL, Capsid protein VP4, ...
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q.
登録日2020-12-22
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DQ4
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BU of 7dq4 by Molmil
Cryo-EM structure of CAR triggered Coxsackievirus B1 A-particle
分子名称: VP2, VP3, Virion protein 1
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q.
登録日2020-12-22
公開日2021-05-05
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DPF
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BU of 7dpf by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion
分子名称: Capsid protein VP4, PALMITIC ACID, VP2, ...
著者Zheng, Q, Li, S.
登録日2020-12-18
公開日2021-05-05
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DPZ
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BU of 7dpz by Molmil
Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR
分子名称: Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ...
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q.
登録日2020-12-22
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DPG
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BU of 7dpg by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle
分子名称: VP2, VP3, Virion protein 1
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q, Xia, N.
登録日2020-12-18
公開日2021-05-05
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DQ1
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BU of 7dq1 by Molmil
Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR at physiological temperature
分子名称: Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ...
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q.
登録日2020-12-22
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
8GQE
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BU of 8gqe by Molmil
Crystal structure of the W285A mutant of UVR8 in complex with RUP2
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2
著者Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P.
登録日2022-08-30
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献RUP2 facilitates UVR8 redimerization via two interfaces.
Plant Commun., 4, 2023
4Z0C
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BU of 4z0c by Molmil
Crystal structure of TLR13-ssRNA13 complex
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, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ...
著者Song, W, Han, Z, Chai, J.
登録日2015-03-26
公開日2015-10-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13
Nat.Struct.Mol.Biol., 22, 2015
6LCM
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BU of 6lcm by Molmil
Crystal structure of chloroplast resolvase ZmMOC1 with the magic triangle I3C
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, ZmMoc1
著者Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P.
登録日2019-11-19
公開日2020-04-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1.
Nat Commun, 11, 2020
6LIS
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BU of 6lis by Molmil
ASFV dUTPase in complex with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R
著者Liang, R, Peng, G.Q.
登録日2019-12-12
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LJ3
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BU of 6lj3 by Molmil
full length ASFV dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, E165R, MAGNESIUM ION
著者Liang, R, Peng, G.Q.
登録日2019-12-13
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LJO
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African swine fever virus dUTPase
分子名称: E165R
著者Liang, R, Peng, G.Q.
登録日2019-12-17
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020

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