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6G9N
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BU of 6g9n by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-11
公開日2018-05-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6GAW
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BU of 6gaw by Molmil
Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the complete 55S ribosome.
分子名称: 12S ribosomal RNA, mitochondrial, 16S ribosomal RNA, ...
著者Kummer, E, Leibundgut, M, Boehringer, D, Ban, N.
登録日2018-04-13
公開日2018-08-22
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
5VYT
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BU of 5vyt by Molmil
Crystal structure of the WbkC N-formyltransferase (F142A variant) from Brucella melitensis
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Gdp-mannose 4,6-dehydratase / gdp-4-amino-4,6-dideoxy-d-mannose formyltransferase, ...
著者Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M.
登録日2017-05-26
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
8CSR
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BU of 8csr by Molmil
Human mitochondrial small subunit assembly intermediate (State C)
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Harper, N.J, Burnside, C, Klinge, S.
登録日2022-05-13
公開日2022-12-14
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Principles of mitoribosomal small subunit assembly in eukaryotes.
Nature, 614, 2023
8CSS
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BU of 8css by Molmil
Human mitochondrial small subunit assembly intermediate (State D)
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Harper, N.J, Burnside, C, Klinge, S.
登録日2022-05-13
公開日2022-12-14
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (2.36 Å)
主引用文献Principles of mitoribosomal small subunit assembly in eukaryotes.
Nature, 614, 2023
5W13
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BU of 5w13 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor SM23
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase
著者Smolen, K.A, Powers, R.A, Wallar, B.J.
登録日2017-06-01
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
8CSQ
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BU of 8csq by Molmil
Human mitochondrial small subunit assembly intermediate (State B)
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Harper, N.J, Burnside, C, Klinge, S.
登録日2022-05-13
公開日2022-12-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Principles of mitoribosomal small subunit assembly in eukaryotes.
Nature, 614, 2023
5LZA
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BU of 5lza by Molmil
Structure of the 70S ribosome with SECIS-mRNA and P-site tRNA (Initial complex, IC)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
登録日2016-09-29
公開日2016-11-23
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
8CSP
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BU of 8csp by Molmil
Human mitochondrial small subunit assembly intermediate (State A)
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Harper, N.J, Burnside, C, Klinge, S.
登録日2022-05-13
公開日2022-12-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Principles of mitoribosomal small subunit assembly in eukaryotes.
Nature, 614, 2023
5W12
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BU of 5w12 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor EC04
分子名称: 3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase
著者Smolen, K.A, Powers, R.A, Wallar, B.J.
登録日2017-06-01
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
8CSU
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BU of 8csu by Molmil
Human mitochondrial small subunit assembly intermediate (State C*)
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Harper, N.J, Burnside, C, Klinge, S.
登録日2022-05-13
公開日2022-12-14
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Principles of mitoribosomal small subunit assembly in eukaryotes.
Nature, 614, 2023
5VQP
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BU of 5vqp by Molmil
Crystal structure of human pro-TGF-beta1
分子名称: Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A.
登録日2017-05-09
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
6G8X
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BU of 6g8x by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 4-chloranyl-1~{H}-indazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
8CST
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BU of 8cst by Molmil
Human mitochondrial small subunit assembly intermediate (State E)
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Harper, N.J, Burnside, C, Klinge, S.
登録日2022-05-13
公開日2022-12-14
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Principles of mitoribosomal small subunit assembly in eukaryotes.
Nature, 614, 2023
5LQZ
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BU of 5lqz by Molmil
Structure of F-ATPase from Pichia angusta, state1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase OSCP subunit, ...
著者Vinothkumar, K.R, Montgomery, M.G, Liu, S, Walker, J.E.
登録日2016-08-17
公開日2016-11-16
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Structure of the mitochondrial ATP synthase fromPichia angustadetermined by electron cryo-microscopy.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6GED
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BU of 6ged by Molmil
Adhesin domain of PrgB from Enterococcus faecalis bound to DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(P*CP*GP*GP*GP*CP*CP*GP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*CP*GP*GP*CP*CP*CP*G)-3'), ...
著者Schmitt, A, Berntsson, R.P.A.
登録日2018-04-26
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction.
Mol. Microbiol., 109, 2018
6FN5
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BU of 6fn5 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-02-02
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献None
To be published
6KN8
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BU of 6kn8 by Molmil
Structure of human cardiac thin filament in the calcium bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Fujii, T, Yamada, Y, Namba, K.
登録日2019-08-03
公開日2020-01-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Cardiac muscle thin filament structures reveal calcium regulatory mechanism.
Nat Commun, 11, 2020
6G0I
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BU of 6g0i by Molmil
Active Fe-PP1
分子名称: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Salvi, F, Barabas, O, Koehn, M.
登録日2018-03-18
公開日2018-11-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of stably incorporated iron on protein phosphatase-1 structure and activity.
FEBS Lett., 592, 2018
5LZF
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BU of 5lzf by Molmil
Structure of the 70S ribosome with fMetSec-tRNASec in the hybrid pre-translocation state (H)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
登録日2016-09-29
公開日2016-11-23
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
5LX5
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BU of 5lx5 by Molmil
CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP.
分子名称: DIPHOSPHATE, Nicotinamide phosphoribosyltransferase, [(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
著者Bertrand, T, Marquette, J.P.
登録日2016-09-20
公開日2017-10-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP
To Be Published
5TZW
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BU of 5tzw by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3,4-difluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
分子名称: MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone, ...
著者Xu, R, Aertgeerts, K.
登録日2016-11-22
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
5U78
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BU of 5u78 by Molmil
Crystal structure of ORP8 PH domain in P1211 space group
分子名称: Oxysterol-binding protein-related protein 8
著者Ghai, R, Yang, H.
登録日2016-12-12
公開日2017-10-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献ORP5 and ORP8 bind phosphatidylinositol-4, 5-biphosphate (PtdIns(4,5)P 2) and regulate its level at the plasma membrane.
Nat Commun, 8, 2017
5U8T
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BU of 5u8t by Molmil
Structure of Eukaryotic CMG Helicase at a Replication Fork and Implications
分子名称: Cell division control protein 45, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA replication complex GINS protein PSF1, ...
著者Li, B, Georgescu, R, Yuan, Z, Santos, R, Sun, J, Zhang, D, Yurieva, O, Li, H, O'Donnell, M.E.
登録日2016-12-15
公開日2017-02-08
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structure of eukaryotic CMG helicase at a replication fork and implications to replisome architecture and origin initiation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6H1K
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BU of 6h1k by Molmil
The major G-quadruplex form of HIV-1 LTR
分子名称: DNA (28-MER)
著者Phan, A.T, Heddi, B, Butovskaya, E, Bakalar, B, Richter, S.N.
登録日2018-07-11
公開日2018-10-17
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Major G-Quadruplex Form of HIV-1 LTR Reveals a (3 + 1) Folding Topology Containing a Stem-Loop.
J. Am. Chem. Soc., 140, 2018

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