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4YS7
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BU of 4ys7 by Molmil
Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A
分子名称: 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ...
著者Burdi, D.F, Herman, L, Wang, T.
登録日2015-03-16
公開日2015-04-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
5XNE
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BU of 5xne by Molmil
X-ray Crystal Structure of alpha-acetolactate decarboxylase from Bacillus subtilis strain 168
分子名称: Alpha-acetolactate decarboxylase, ZINC ION
著者Ji, F, Li, M, Feng, Y.
登録日2017-05-22
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structural and enzymatic characterization of acetolactate decarboxylase from Bacillus subtilis
Appl. Microbiol. Biotechnol., 102, 2018
7DO1
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BU of 7do1 by Molmil
Solution structure of a heteromolecular telomeric (3+1) G-quadruplex containing right loop progression
分子名称: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*G)-3')
著者Fu, W.Q, Jing, H.T, Zhang, N.
登録日2020-12-11
公開日2021-09-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two coexisting pseudo-mirror heteromolecular telomeric G-quadruplexes in opposite loop progressions differentially recognized by a low equivalent of Thioflavin T.
Nucleic Acids Res., 49, 2021
2OI0
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BU of 2oi0 by Molmil
Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide
分子名称: (3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL, TNF- a Converting Enzyme (TACE), ZINC ION
著者Wei, Y, Rao, G.B, Bandarage, U.K.
登録日2007-01-10
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides
Bioorg.Med.Chem.Lett., 17, 2007
5WDY
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BU of 5wdy by Molmil
Crystal structure of WNK1 in complex with 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine (compound 6)
分子名称: 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X, Kohls, D.
登録日2017-07-06
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.458 Å)
主引用文献Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
7DDN
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BU of 7ddn by Molmil
SARS-Cov2 S protein at open state
分子名称: Spike glycoprotein
著者Cong, Y, Liu, C.X.
登録日2020-10-29
公開日2020-11-25
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DD2
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BU of 7dd2 by Molmil
S-3C1-F2 structure, two RBDs are up and one RBD is down, the two up RBD bind with a 3C1 fab.
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-27
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK4
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BU of 7dk4 by Molmil
S-2H2-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DDD
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BU of 7ddd by Molmil
SARS-Cov2 S protein at close state
分子名称: Spike glycoprotein
著者Cong, Y, Liu, C.X.
登録日2020-10-28
公開日2020-11-25
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK7
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BU of 7dk7 by Molmil
S-2H2-F3b structure, three RBDs are up and each RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain fragment of 2H2 Fab, The light chain fragment of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (9.7 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK6
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BU of 7dk6 by Molmil
S-2H2-F2 structure, two RBDs are up and one RBD is down, each up RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DCX
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BU of 7dcx by Molmil
S-3C1-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 3C1 fab.
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab that binds with the up RBD, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-27
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DCC
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BU of 7dcc by Molmil
S-3C1-F3b structure, all the three RBDs are in the up conformation and each of them associates with a 3C1 Fab
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-24
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DD8
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BU of 7dd8 by Molmil
S-3C1-F1 structure, one RBD is up and two RBDs are down, the up RBD binds with a 3C1 fab
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 chain
著者Cong, Y, Liu, C.X.
登録日2020-10-28
公開日2020-12-02
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK5
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BU of 7dk5 by Molmil
S-2H2-F1 structure, one RBD is up and two RBDs are down, only up RBD binds with a 2H2 Fab
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (13.5 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
5ZDS
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BU of 5zds by Molmil
Crystal structure of the second PDZ domain of Frmpd2
分子名称: FERM and PDZ domain-containing 2
著者Lu, X, Wang, X.F.
登録日2018-02-24
公開日2019-02-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The second PDZ domain of scaffold protein Frmpd2 binds to GluN2A of NMDA receptors.
Biochem.Biophys.Res.Commun., 516, 2019
2ZUK
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BU of 2zuk by Molmil
The crystal structure of alpha-amino-epsilon-caprolactam racemase from Achromobacter obae complexed with epsilon caprolactam (different binding mode)
分子名称: Alpha-amino-epsilon-caprolactam racemase, PYRIDOXAL-5'-PHOSPHATE, azepan-2-one
著者Okazaki, S, Suzuki, A, Komeda, H, Asano, Y, Yamane, T.
登録日2008-10-18
公開日2009-02-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The novel structure of a pyridoxal 5'-phosphate-dependent fold-type I racemase, alpha-amino-epsilon-caprolactam racemase from Achromobacter obae
Biochemistry, 48, 2009
6MBJ
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BU of 6mbj by Molmil
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, P21 Crystal Form
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2018-08-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
6J1O
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BU of 6j1o by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI from Aspergillus flavus
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-28
公開日2019-05-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J46
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BU of 6j46 by Molmil
LepI-SAH complex structure
分子名称: O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE
著者Qiu, S, Wei, C.
登録日2019-01-08
公開日2019-05-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
5JJ3
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BU of 5jj3 by Molmil
Refined Structure of the Mature Virion Conformation of P22 Portal Protein
分子名称: Portal protein
著者Lokareddy, R.K, Sankhala, R.S, Cingolani, G.
登録日2016-04-22
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (7 Å)
主引用文献Portal protein functions akin to a DNA-sensor that couples genome-packaging to icosahedral capsid maturation.
Nat Commun, 8, 2017
6MBK
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BU of 6mbk by Molmil
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, First P212121 Crystal Form
分子名称: 1,2-ETHANEDIOL, Actin peptide, GLYCEROL, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2018-08-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
6MBL
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BU of 6mbl by Molmil
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, Second P212121 Crystal Form
分子名称: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2018-08-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
5N6W
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BU of 5n6w by Molmil
Retinoschisin R141H Mutant
分子名称: Retinoschisin
著者Ramsay, E.P, Collins, R.F, Owens, T.W, Siebert, C.A, Jones, R.P.O, Roseman, A, Wang, T, Baldock, C.
登録日2017-02-16
公開日2017-04-12
最終更新日2017-08-30
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural analysis of X-linked retinoschisis mutations reveals distinct classes which differentially effect retinoschisin function
Human Molecular Genetics, 25, 2016
6ISU
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BU of 6isu by Molmil
Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3
著者Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D.
登録日2018-11-19
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019

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