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8TNO
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BU of 8tno by Molmil
UNC_239 from Chroma generative model
分子名称: UNC_239
著者Ng-Thow-Hing, C, Van Vlack, E.R, Lord, D.M.
登録日2023-08-02
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Illuminating protein space with a programmable generative model.
Nature, 623, 2023
8TNM
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BU of 8tnm by Molmil
UNC_079 from Chroma generative model
分子名称: UNC_079
著者Ng-Thow-Hing, C, Van Vlack, E.R, Lord, D.M.
登録日2023-08-02
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Illuminating protein space with a programmable generative model.
Nature, 623, 2023
6KAF
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BU of 6kaf by Molmil
C2S2M2N2-type PSII-LHCII
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Chang, S.H, Shen, L.L, Huang, Z.H, Wang, W.D, Han, G.Y, Shen, J.R, Zhang, X.
登録日2019-06-22
公開日2019-10-23
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Structure of a C2S2M2N2-type PSII-LHCII supercomplex from the green algaChlamydomonas reinhardtii.
Proc.Natl.Acad.Sci.USA, 116, 2019
8DZ8
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BU of 8dz8 by Molmil
Neoleukin 4, a de novo designed IL-4 mimetic
分子名称: neoleukin-4
著者Jude, K.M, Spangler, J.B, Garcia, K.C.
登録日2022-08-06
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds.
Nat.Chem.Biol., 19, 2023
8HRU
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BU of 8hru by Molmil
Cryo-EM structure of ACE2
分子名称: Angiotensin-converting enzyme 2
著者Xu, J, Liu, N, Wang, H.W.
登録日2022-12-16
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structure of ACE2
To Be Published
8HRI
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BU of 8hri by Molmil
SARS-CoV-2 Delta variant spike protein
分子名称: Spike glycoprotein
著者Xu, J, Cheng, H, Liu, N, Wang, H.W.
登録日2022-12-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure
To Be Published
8HRM
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BU of 8hrm by Molmil
Cryo-EM structure of streptavidin
分子名称: Streptavidin
著者Xu, J, Liu, N, Wang, H.W.
登録日2022-12-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure
To Be Published
8HRK
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BU of 8hrk by Molmil
SARS-CoV-2 Delta S-RBD-ACE2 complex
分子名称: Processed angiotensin-converting enzyme 2, Spike protein S1
著者Xu, J, Meng, F, Liu, N, Wang, H.W.
登録日2022-12-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure
To Be Published
8HRL
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BU of 8hrl by Molmil
SARS-CoV-2 Delta S-RBD-ACE2
分子名称: Processed angiotensin-converting enzyme 2, Spike protein S1
著者Xu, J, Meng, F, Liu, N, Wang, H.W.
登録日2022-12-15
公開日2023-12-20
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure
To Be Published
8HRJ
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BU of 8hrj by Molmil
SARS-CoV-2 Delta variant spike protein
分子名称: Spike glycoprotein
著者Xu, J, Cheng, H, Liu, N, Wang, H.W.
登録日2022-12-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure
To Be Published
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
著者Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-04
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
8HRN
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BU of 8hrn by Molmil
Cryo-EM structure of ACE2
分子名称: Angiotensin-converting enzyme 2
著者Xu, J, Liu, N, Wang, H.W.
登録日2022-12-15
公開日2023-12-20
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure
To Be Published
6W7L
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BU of 6w7l by Molmil
Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p
分子名称: 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S.
登録日2020-03-19
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
6W7K
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BU of 6w7k by Molmil
Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p
分子名称: 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S.
登録日2020-03-19
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
5X6O
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BU of 5x6o by Molmil
Intact ATR/Mec1-ATRIP/Ddc2 complex
分子名称: DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1
著者Wang, X, Ran, T, Cai, G.
登録日2017-02-22
公開日2017-12-20
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献3.9 angstrom structure of the yeast Mec1-Ddc2 complex, a homolog of human ATR-ATRIP.
Science, 358, 2017
3I17
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BU of 3i17 by Molmil
Crystal structure of the apo R132K:L121E mutant of cellular retinoic acid-binding protein II at 1.68 angstrom resolution
分子名称: Cellular retinoic acid-binding protein 2
著者Jia, X, Watson, C.T, Geiger, J.H.
登録日2009-06-25
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Elucidating the exact role of engineered CRABPII residues for the formation of a retinal protonated Schiff base.
Proteins, 77, 2009
3HAY
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BU of 3hay by Molmil
Crystal structure of a substrate-bound full H/ACA RNP from Pyrococcus furiosus
分子名称: 5'-R(*AP*UP*AP*AP*UP*UP*(FHU)P*GP*AP*CP*UP*CP*AP*A)-3', 50S ribosomal protein L7Ae, H/ACA RNA, ...
著者Ye, K.
登録日2009-05-03
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (4.99 Å)
主引用文献Structural mechanism of substrate RNA recruitment in H/ACA RNA-guided pseudouridine synthase.
Mol.Cell, 34, 2009
3K3B
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BU of 3k3b by Molmil
Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline
分子名称: 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Bussiere, D.E, Bellamacina, C, Le, V.
登録日2009-10-02
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5.
Bioorg.Med.Chem.Lett., 20, 2010
3HAX
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BU of 3hax by Molmil
Crystal structure of a substrate-bound Gar1-minus H/ACA RNP from Pyrococcus furiosus
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*UP*AP*AP*UP*UP*(FHU)P*GP*AP*CP*UP*CP*AP*A)-3', 50S ribosomal protein L7Ae, ...
著者Ye, K.
登録日2009-05-03
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural mechanism of substrate RNA recruitment in H/ACA RNA-guided pseudouridine synthase.
Mol.Cell, 34, 2009
4LOH
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BU of 4loh by Molmil
Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(3',5')p]
分子名称: Stimulator of interferon genes protein, cGAMP
著者Gao, P, Patel, D.J.
登録日2013-07-12
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
4LOJ
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BU of 4loj by Molmil
Crystal structure of mSting in complex with c[G(2',5')pA(3',5')p]
分子名称: Stimulator of interferon genes protein, cGAMP
著者Gao, P, Patel, D.J.
登録日2013-07-12
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
4QS7
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BU of 4qs7 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) structure in glucose-bound form
分子名称: Hexokinase-1, beta-D-glucopyranose
著者Feng, J, Zhao, S, Liu, L.
登録日2014-07-03
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
4LOI
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BU of 4loi by Molmil
Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(2',5')p]
分子名称: 2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one, PHOSPHATE ION, Stimulator of interferon genes protein
著者Gao, P, Patel, D.J.
登録日2013-07-12
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
4LOK
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BU of 4lok by Molmil
Crystal structure of mSting in complex with c[G(3',5')pA(3',5')p]
分子名称: 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein
著者Gao, P, Patel, D.J.
登録日2013-07-12
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013

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