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7DB9
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BU of 7db9 by Molmil
IC1 in complex with tubulin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE, CALCIUM ION, ...
Authors:Wu, C.Y, Wang, Y.X.
Deposit date:2020-10-19
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.845 Å)
Cite:IC1 in complex with tubulin
To Be Published
7D9L
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BU of 7d9l by Molmil
Crystal structure of E. coli Grx2: Enzyme inhibited state in complex with Zinc and glutathione sulfinic acid
Descriptor: CHLORIDE ION, Glutaredoxin, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, ...
Authors:Sreekumar, S.N, Arockiasamy, A.
Deposit date:2020-10-13
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structure of E. coli Grx2: Enzyme inhibited state in complex with Zinc and glutathione sulfinic acid
To Be Published
7DA8
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BU of 7da8 by Molmil
X-ray structure of a GB1:T2Q/D46K mutant
Descriptor: Immunoglobulin G-binding protein G
Authors:Manjula, R, Ramaswamy, S, Gosavi, S.
Deposit date:2020-10-15
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structure of a GB1:T2Q/D46K mutant
To Be Published
7DBA
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BU of 7dba by Molmil
RYX in complex with tubulin
Descriptor: 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wu, C.Y, Wang, Y.X.
Deposit date:2020-10-19
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:RYX in complex with tubulin
To Be Published
7DOR
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BU of 7dor by Molmil
E. coli GyrB ATPase domain in complex with 4-nitropheno
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, P-NITROPHENOL, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-16
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPR
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BU of 7dpr by Molmil
E. coli GyrB ATPase domain in complex with methyl 3,4-dihydroxybenzoate
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-21
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
4GSC
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BU of 4gsc by Molmil
Structure analysis of insulin degrading enzyme with compound bdm41559 ((s)-2-[2-(carboxymethyl-phenethyl-amino)-acetylamino]-3-(1h-imidazol-4-yl)-propionic acid methyl ester)
Descriptor: Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate
Authors:Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
Deposit date:2012-08-27
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
4PVI
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BU of 4pvi by Molmil
Crystal structure of GH62 hydrolase in complex with xylotriose
Descriptor: GH62 hydrolase, PHOSPHATE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Nocek, B, Kaur, A.P, Xu, X, Cui, H, Savchenko, A.
Deposit date:2014-03-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of GH62 hydrolase in complex with xylotriose
TO BE PUBLISHED
7DE3
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BU of 7de3 by Molmil
Human adenylate kinase 1 (hAK1) mutant-R128W
Descriptor: Adenylate kinase isoenzyme 1
Authors:Lin, W.
Deposit date:2020-11-01
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Structure of human adenylate kinase 1 mutant-R128W.
To Be Published
7DG4
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BU of 7dg4 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 6
Descriptor: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-10
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7SJ4
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BU of 7sj4 by Molmil
Human Trio residues 1284-1959 in complex with Rac1
Descriptor: Ras-related C3 botulinum toxin substrate 1, Triple functional domain protein
Authors:Chen, C.-L, Ravala, S.K, Bandekar, S.J, Cash, J, Tesmer, J.J.G.
Deposit date:2021-10-15
Release date:2022-07-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural/functional studies of Trio provide insights into its configuration and show that conserved linker elements enhance its activity for Rac1.
J.Biol.Chem., 298, 2022
4GZO
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BU of 4gzo by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with hepes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2012-09-06
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
J.Virol., 86, 2012
4GZX
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BU of 4gzx by Molmil
N2 neuraminidase D151G mutant of A/Tanzania/205/2010 H3N2 in complex with human sialic acid receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2012-09-06
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
J.Virol., 86, 2012
4GZS
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BU of 4gzs by Molmil
N2 neuraminidase D151G mutant of a/Tanzania/205/2010 H3N2 in complex with hepes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2012-09-06
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
J.Virol., 86, 2012
7DFJ
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BU of 7dfj by Molmil
Crystal structure of glucose isomerase by serial millisecond crystallography
Descriptor: MAGNESIUM ION, Xylose isomerase
Authors:Nam, K.H.
Deposit date:2020-11-08
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of glucose isomerase by serial millisecond crystallography
To Be Published
7DH3
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BU of 7dh3 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 5
Descriptor: 2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-12
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The co-crystal structure of DYRK2 with a small molecule inhibitor 5
To Be Published
7DH9
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BU of 7dh9 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 7
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-13
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DFK
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BU of 7dfk by Molmil
Crystal structure of xylitol-bound glucose isomerase by serial millisecond crystallography
Descriptor: MAGNESIUM ION, Xylitol, Xylose isomerase
Authors:Nam, K.H.
Deposit date:2020-11-08
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of xylitol-bound glucose isomerase by serial millisecond crystallography
To Be Published
7DHC
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BU of 7dhc by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 10
Descriptor: 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-13
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DG5
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BU of 7dg5 by Molmil
Crystal structure of mouse Smc1-Smc3 hinge domain containing a D574Y mutation
Descriptor: Structural maintenance of chromosomes protein 1A, Structural maintenance of chromosomes protein 3
Authors:Seo, H, Noh, H, Oh, B.-H.
Deposit date:2020-11-11
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Folding of cohesin's coiled coil is important for Scc2/4-induced association with chromosomes.
Elife, 10, 2021
7DHH
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BU of 7dhh by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 19
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-14
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHO
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BU of 7dho by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 14
Descriptor: 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHN
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BU of 7dhn by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 20
Descriptor: 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHK
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BU of 7dhk by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 13
Descriptor: 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
Descriptor: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-17
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.679 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022

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數據於2024-07-17公開中

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