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1R0X
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BU of 1r0x by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP
分子名称: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
著者Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
登録日2003-09-23
公開日2003-12-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0Y
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BU of 1r0y by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ADP
分子名称: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator
著者Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
登録日2003-09-23
公開日2003-12-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0W
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BU of 1r0w by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) apo
分子名称: ACETIC ACID, Cystic fibrosis transmembrane conductance regulator
著者Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
登録日2003-09-23
公開日2003-12-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
8I4V
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BU of 8i4v by Molmil
Cryo-EM structure of 5-subunit Smc5/6 arm region
分子名称: DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ...
著者Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Zhenguo, C, Wang, L.
登録日2023-01-21
公開日2024-06-26
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (5.97 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
8I13
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BU of 8i13 by Molmil
Cryo-EM structure of 6-subunit Smc5/6
分子名称: MMS21 isoform 1, NSE3 isoform 1, Non-structural maintenance of chromosomes element 1 homolog, ...
著者Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Duo, J, Zhenguo, C, Wang, L.
登録日2023-01-12
公開日2024-06-26
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
8I4X
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BU of 8i4x by Molmil
Cryo-EM structure of 5-subunit Smc5/6
分子名称: E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 5, Nse6, ...
著者Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Tong, C, Duo, J, Zhenguo, C, Wang, L.
登録日2023-01-21
公開日2024-06-26
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
8I4W
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BU of 8i4w by Molmil
Cryo-EM structure of 5-subunit Smc5/6 head region
分子名称: DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 5, ...
著者Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Cheng, T, Duo, J, Zhenguo, C, Wang, L.
登録日2023-01-21
公開日2024-06-26
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (6.01 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
8I21
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BU of 8i21 by Molmil
Cryo-EM structure of 6-subunit Smc5/6 arm region
分子名称: E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6
著者Jun, Z, Qian, L, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
登録日2023-01-13
公開日2024-06-26
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (6.02 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
1Q3H
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BU of 1q3h by Molmil
mouse CFTR NBD1 with AMP.PNP
分子名称: ACETIC ACID, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ...
著者Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
登録日2003-07-29
公開日2003-12-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0Z
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BU of 1r0z by Molmil
Phosphorylated Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP
分子名称: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
著者Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
登録日2003-09-23
公開日2003-12-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R10
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BU of 1r10 by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP, I4122 space group
分子名称: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
著者Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
登録日2003-09-23
公開日2003-12-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
5XJY
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BU of 5xjy by Molmil
Cryo-EM structure of human ABCA1
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, ATP-binding cassette sub-family A member 1, ...
著者Qian, H.W, Yan, N, Gong, X.
登録日2017-05-04
公開日2017-06-07
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure of the Human Lipid Exporter ABCA1.
Cell, 169, 2017
2WGO
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BU of 2wgo by Molmil
Structure of ranaspumin-2, a surfactant protein from the foam nests of a tropical frog
分子名称: RANASPUMIN-2
著者Mackenzie, C.D, Smith, B.O, Kennedy, M.W, Cooper, A.
登録日2009-04-21
公開日2009-06-23
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Ranaspumin-2: Structure and Function of a Surfactant Protein from the Foam Nests of a Tropical Frog.
Biophys.J., 96, 2009
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
5JNX
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BU of 5jnx by Molmil
The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus
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, Envelope glycoprotein, ...
著者Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N.
登録日2016-05-01
公開日2016-06-15
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (6.56 Å)
主引用文献Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection
Cell, 165, 2016
5BPE
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BU of 5bpe by Molmil
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
分子名称: (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro
著者Luqing, S, Yin, Z.
登録日2015-05-28
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
7YQH
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BU of 7yqh by Molmil
Cryo-EM structure of 8-subunit Smc5/6
分子名称: DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, ...
著者Qian, L, Jun, Z, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
登録日2022-08-07
公開日2024-01-31
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
1SQT
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BU of 1sqt by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhang, X, Mantei, R, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L.
登録日2004-03-19
公開日2004-04-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
5HU4
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BU of 5hu4 by Molmil
Cystal structure of listeria monocytogenes sortase A
分子名称: Cysteine protease
著者Li, H.
登録日2016-01-27
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of sortase A by chalcone prevents Listeria monocytogenes infection.
Biochem. Pharmacol., 106, 2016
7ROQ
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BU of 7roq by Molmil
Alternative Structure of Human ABCA1
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 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Aller, S.G.
登録日2021-08-01
公開日2022-01-19
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Refined ABCA1 with Domain-swapped Regulatory Domains
Plos One, 2022
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
分子名称: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
著者Piper, D.E, Walker, N, Wang, Z.
登録日2014-06-20
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
4OAS
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BU of 4oas by Molmil
co-crystal structure of MDM2 (17-111) in complex with compound 25
分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
著者Huang, X.
登録日2014-01-06
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development.
J.Med.Chem., 57, 2014
6P2J
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BU of 6p2j by Molmil
Dimeric structure of ACAT1
分子名称: S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1
著者Yan, N, Qian, H.W.
登録日2019-05-21
公開日2020-05-20
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for catalysis and substrate specificity of human ACAT1.
Nature, 581, 2020
6P2P
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Tetrameric structure of ACAT1
分子名称: S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1
著者Yan, N, Qian, H.W.
登録日2019-05-21
公開日2020-05-20
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for catalysis and substrate specificity of human ACAT1.
Nature, 581, 2020

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件を2025-07-09に公開中

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