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5OOV
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BU of 5oov by Molmil
Designed Ankyrin Repeat Protein (DARPin) ETVD-1 in complex with Lysozyme
分子名称: DARPin ETVD-1, Lysozyme C
著者Houlihan, G, Fischer, G, Hogan, B.J, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M.
登録日2017-08-08
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.365 Å)
主引用文献Designed Ankyrin Repeat Protein (DARPin) ETVD-1 in complex with Lysozyme
To be published
6K0R
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BU of 6k0r by Molmil
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E.
登録日2019-05-07
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
分子名称: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Wang, C, Zhang, P, Dong, J.
登録日2016-03-07
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5UPW
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BU of 5upw by Molmil
CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations
分子名称: Gag polyprotein
著者Perilla, J.R.
登録日2017-02-04
公開日2017-03-01
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations.
J Phys Chem B, 121, 2017
5UP4
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BU of 5up4 by Molmil
Structure of the HIV-1 Capsid Protein and spacer peptide 1 by Cryo-EM
分子名称: HIV-1 Capsid Protein and spacer peptide 1
著者Perilla, J.R, Schirra, R, Zhang, P, Schulten, K.
登録日2017-02-01
公開日2017-12-06
最終更新日2017-12-13
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Quenching protein dynamics interferes with HIV capsid maturation.
Nat Commun, 8, 2017
6JGZ
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BU of 6jgz by Molmil
Structure of RyR2 (F/P/Ca2+ dataset)
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ZINC ION
著者Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N.
登録日2019-02-16
公開日2019-12-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JG3
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BU of 6jg3 by Molmil
Cryo-EM structure of RyR2 (Ca2+ alone dataset)
分子名称: Ryanodine receptor 2, ZINC ION
著者Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N.
登録日2019-02-13
公開日2019-12-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JI0
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BU of 6ji0 by Molmil
Structure of RyR2 (F/A/C/Ca2+ dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-19
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JIY
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BU of 6jiy by Molmil
Structure of RyR2 (F/A/C/H-Ca2+/Ca2+CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-24
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JRS
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BU of 6jrs by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+/Ca2+-CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-04-05
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JV2
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BU of 6jv2 by Molmil
Structure of RyR2 (P/L-Ca2+/Ca2+-CaM dataset)
分子名称: CALCIUM ION, Calmodulin-1, RyR2, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-04-15
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
1SD0
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BU of 1sd0 by Molmil
Structure of arginine kinase C271A mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ...
著者Gattis, J.L, Ruben, E, Fenley, M.O, Ellington, W.R, Chapman, M.S.
登録日2004-02-12
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The active site cysteine of arginine kinase: structural and functional analysis of partially active mutants
Biochemistry, 43, 2004
5LK5
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BU of 5lk5 by Molmil
Crystal structure of the globular domain of human calreticulin mutant D71K
分子名称: CALCIUM ION, CHLORIDE ION, Calreticulin,Calreticulin
著者Gaboriaud, C, Cioci, G.
登録日2016-07-21
公開日2016-08-31
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of parasite calreticulins provide insights into their flexibility and dual carbohydrate/peptide-binding properties.
IUCrJ, 3, 2016
6A69
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BU of 6a69 by Molmil
Cryo-EM structure of a P-type ATPase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroplastin, Plasma membrane calcium-transporting ATPase 1
著者Gong, D.S, Chi, X.M, Ren, K, Huang, G.X.Y, Zhou, G.W, Yan, N, Lei, J.L, Zhou, Q.
登録日2018-06-27
公開日2018-09-19
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.11 Å)
主引用文献Structure of the human plasma membrane Ca2+-ATPase 1 in complex with its obligatory subunit neuroplastin.
Nat Commun, 9, 2018
6JHN
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BU of 6jhn by Molmil
Structure of RyR2 (F/C/Ca2+ dataset)
分子名称: CAFFEINE, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
著者Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N.
登録日2019-02-18
公開日2019-12-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JH6
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BU of 6jh6 by Molmil
Structure of RyR2 (F/A/Ca2+ dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ...
著者Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N.
登録日2019-02-17
公開日2019-12-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JIU
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BU of 6jiu by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/Ca2+CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-23
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JI8
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BU of 6ji8 by Molmil
Structure of RyR2 (F/apoCaM dataset)
分子名称: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-20
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JRR
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BU of 6jrr by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+ dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-04-05
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JII
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BU of 6jii by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/apo-CaM-M dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-21
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
7SN0
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BU of 7sn0 by Molmil
Crystal structure of spike protein receptor binding domain of escape mutant SARS-CoV-2 from immunocompromised patient (d146*) in complex with human receptor ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pan, J, Abraham, J, Clark, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN3
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BU of 7sn3 by Molmil
Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pan, J, Abraham, J, Shankar, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN1
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BU of 7sn1 by Molmil
Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
分子名称: neutralizing antibody C1C-A3 Fab heavy chain, neutralizing antibody C1C-A3 Fab light chain
著者Pan, J, Abraham, J, Clark, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN2
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BU of 7sn2 by Molmil
Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pan, J, Abraham, J, Yang, P, Shankar, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
8F1G
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BU of 8f1g by Molmil
Crystal structure of human WDR5 in complex with compound WM662
分子名称: (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ...
著者Liu, H.
登録日2022-11-05
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023

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