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3UUO
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BU of 3uuo by Molmil
The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia
Descriptor: 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R.
Deposit date:2011-11-28
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
7CBD
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BU of 7cbd by Molmil
Catalytic domain of Cellulomonas fimi Cel6B
Descriptor: Exoglucanase A
Authors:Nakamura, A, Ishiwata, D, Visootsat, A, Uchiyama, T, Mizutani, K, Kaneko, S, Murata, T, Igarashi, K, Iino, R.
Deposit date:2020-06-12
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Domain architecture divergence leads to functional divergence in binding and catalytic domains of bacterial and fungal cellobiohydrolases.
J.Biol.Chem., 295, 2020
6K54
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BU of 6k54 by Molmil
Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with trisaccharide
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T.
Deposit date:2019-05-28
Release date:2020-06-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Novel hyperthermophilic cellobiohydrolase II isolated from hot spring microbial community
To Be Published
6K53
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BU of 6k53 by Molmil
A variant of metagenome-derived GH6 cellobiohydrolase, HmCel6A (P88S/L230F/F414S)
Descriptor: CITRATE ANION, GH6 cellobiohydrolase, HMCEL6A, ...
Authors:Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T.
Deposit date:2019-05-28
Release date:2020-06-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A hyperthermophilic GH6 cellobiohydrolase (HmCel6A) from a hot spring metagenomic data
To Be Published
6K52
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BU of 6k52 by Molmil
Hyperthermophilic GH6 cellobiohydrolase (HmCel6A) from the microbial flora of a Japanese hot spring
Descriptor: ACETATE ION, CALCIUM ION, GH6 cellobiohydrolase, ...
Authors:Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T.
Deposit date:2019-05-28
Release date:2020-06-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68000138 Å)
Cite:A hyperthermophilic cellobiohydrolase mined from a hot spring metagenomic data
To Be Published
6K55
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BU of 6k55 by Molmil
Inactivated mutant (D140A) of Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with hexasaccharide
Descriptor: Glucanase, MAGNESIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T.
Deposit date:2019-05-28
Release date:2020-06-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.883 Å)
Cite:A hyperthermophilic cellobiohydrolase mined from a hot spring metagenomic data
To Be Published
3UI7
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BU of 3ui7 by Molmil
Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia
Descriptor: 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Yang, S, Smotryski, J, Mcelroy, W, Ho, G, Tulshian, D, Greenlee, W.J, Hodgson, R, Xiao, L, Hruza, A.
Deposit date:2011-11-04
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
3WFR
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BU of 3wfr by Molmil
tRNA processing enzyme complex 2
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Yamashita, S, Takeshita, D, Tomita, K.
Deposit date:2013-07-23
Release date:2014-01-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Translocation and rotation of tRNA during template-independent RNA polymerization by tRNA nucleotidyltransferase
Structure, 22, 2014
3WFS
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BU of 3wfs by Molmil
tRNA processing enzyme complex 3
Descriptor: Poly A polymerase, RNA (74-MER), SULFATE ION
Authors:Yamashita, S, Takeshita, D, Tomita, K.
Deposit date:2013-07-23
Release date:2014-01-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.311 Å)
Cite:Translocation and rotation of tRNA during template-independent RNA polymerization by tRNA nucleotidyltransferase
Structure, 22, 2014
3WFO
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BU of 3wfo by Molmil
tRNA processing enzyme (apo form 1)
Descriptor: Poly A polymerase, SULFATE ION
Authors:Yamashita, S, Takeshita, D, Tomita, K.
Deposit date:2013-07-23
Release date:2014-01-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Translocation and rotation of tRNA during template-independent RNA polymerization by tRNA nucleotidyltransferase
Structure, 22, 2014
3WFP
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BU of 3wfp by Molmil
tRNA processing enzyme (apo form 2)
Descriptor: Poly A polymerase, SULFATE ION
Authors:Yamashita, S, Takeshita, D, Tomita, K.
Deposit date:2013-07-23
Release date:2014-01-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.005 Å)
Cite:Translocation and rotation of tRNA during template-independent RNA polymerization by tRNA nucleotidyltransferase
Structure, 22, 2014
3WFQ
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BU of 3wfq by Molmil
tRNA processing enzyme complex 1
Descriptor: Poly A polymerase, RNA (73-MER)
Authors:Yamashita, S, Takeshita, D, Tomita, K.
Deposit date:2013-07-23
Release date:2014-01-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.619 Å)
Cite:Translocation and rotation of tRNA during template-independent RNA polymerization by tRNA nucleotidyltransferase
Structure, 22, 2014
1Q2J
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BU of 1q2j by Molmil
Structural basis for tetrodotoxin-resistant sodium channel binding by mu-conotoxin SmIIIA
Descriptor: Mu-conotoxin SmIIIA
Authors:Keizer, D.W, West, P.J, Lee, E.F, Olivera, B.M, Bulaj, G, Yoshikami, D, Norton, R.S.
Deposit date:2003-07-24
Release date:2004-02-24
Last modified:2020-06-24
Method:SOLUTION NMR
Cite:Structural basis for tetrodotoxin-resistant sodium channel binding by mu-conotoxin SmIIIA.
J.Biol.Chem., 278, 2003
5HZH
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BU of 5hzh by Molmil
Crystal structure of photoinhibitable Rac1 containing C450A mutant LOV2 domain
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
3JRW
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BU of 3jrw by Molmil
Phosphorylated BC domain of ACC2
Descriptor: Acetyl-CoA carboxylase 2
Authors:Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S.
Deposit date:2009-09-09
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK
Biochem.Biophys.Res.Commun., 391, 2010
3JRX
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BU of 3jrx by Molmil
Crystal structure of the BC domain of ACC2 in complex with soraphen A
Descriptor: Acetyl-CoA carboxylase 2, SORAPHEN A
Authors:Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S.
Deposit date:2009-09-09
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK.
Biochem.Biophys.Res.Commun., 391, 2010
6HYL
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BU of 6hyl by Molmil
Structure of PCM1 LIR motif bound to GABARAP
Descriptor: Pericentriolar material 1 protein,Gamma-aminobutyric acid receptor-associated protein
Authors:Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D.
Deposit date:2018-10-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins.
Nat Commun, 10, 2019
2KN1
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BU of 2kn1 by Molmil
Solution NMR Structure of BCMA
Descriptor: Tumor necrosis factor receptor superfamily member 17
Authors:Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S.
Deposit date:2009-08-11
Release date:2011-02-23
Last modified:2013-05-01
Method:SOLUTION NMR
Cite:Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions.
Febs J., 280, 2013
6HYM
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BU of 6hym by Molmil
Structure of PCM1 LIR motif bound to GABARAP
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Pericentriolar material 1 protein,Gamma-aminobutyric acid receptor-associated protein
Authors:Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D.
Deposit date:2018-10-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins.
Nat Commun, 10, 2019
2KN0
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BU of 2kn0 by Molmil
Solution NMR Structure of xenopus Fn14
Descriptor: Fn14
Authors:Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S.
Deposit date:2009-08-11
Release date:2011-06-29
Last modified:2013-05-01
Method:SOLUTION NMR
Cite:Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions.
Febs J., 280, 2013
2KMZ
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BU of 2kmz by Molmil
NMR Structure of hFn14
Descriptor: Tumor necrosis factor receptor superfamily member 12A
Authors:Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S.
Deposit date:2009-08-10
Release date:2011-06-29
Last modified:2013-05-01
Method:SOLUTION NMR
Cite:Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions.
Febs J., 280, 2013
6HYN
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BU of 6hyn by Molmil
Structure of ATG13 LIR motif bound to GABARAP
Descriptor: Autophagy-related protein 13,Gamma-aminobutyric acid receptor-associated protein
Authors:Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D.
Deposit date:2018-10-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins.
Nat Commun, 10, 2019
2HJW
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BU of 2hjw by Molmil
Crystal Structure of the BC domain of ACC2
Descriptor: Acetyl-CoA carboxylase 2
Authors:Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S.
Deposit date:2006-07-02
Release date:2007-07-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the biotin carboxylase domain of human acetyl-CoA carboxylase 2.
Proteins, 70, 2008
6HYO
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BU of 6hyo by Molmil
Structure of ULK1 LIR motif bound to GABARAP
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D.
Deposit date:2018-10-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins.
Nat Commun, 10, 2019
7E5P
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BU of 7e5p by Molmil
Aptamer enhancing peroxidase activity of myoglobin
Descriptor: DNA (5'-D(*GP*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3')
Authors:Tsukakoshi, K, Matsugami, A, Khunathai, K, Kanazashi, M, Yamagishi, Y, Nakama, K, Oshikawa, D, Hayashi, F, Kuno, H, Ikebukuro, K.
Deposit date:2021-02-19
Release date:2021-06-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:G-quadruplex-forming aptamer enhances the peroxidase activity of myoglobin against luminol.
Nucleic Acids Res., 49, 2021

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