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5HQA
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BU of 5hqa by Molmil
A Glycoside Hydrolase Family 97 enzyme in complex with Acarbose from Pseudoalteromonas sp. strain K8
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, CALCIUM ION, ...
著者Li, J, He, C, Xiao, Y.
登録日2016-01-21
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
J. Struct. Biol., 196, 2016
5HQ4
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BU of 5hq4 by Molmil
A Glycoside Hydrolase Family 97 enzyme from Pseudoalteromonas sp. strain K8
分子名称: Alpha-glucosidase, CALCIUM ION, CHLORIDE ION, ...
著者Li, J, He, C, Xiao, Y.
登録日2016-01-21
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.926 Å)
主引用文献Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
J. Struct. Biol., 196, 2016
2YNB
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BU of 2ynb by Molmil
Crystal structure of the main protease of coronavirus HKU4 in complex with a Michael acceptor SG85
分子名称: 3C-LIKE PROTEINASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide, NICKEL (II) ION
著者Ma, Q, Xiao, Y, Hilgenfeld, R.
登録日2012-10-13
公開日2013-10-23
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Inhibitor for the Main Protease of Coronavirus Hku4
To be Published
5KLV
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BU of 5klv by Molmil
Structure of bos taurus cytochrome bc1 with fenamidone inhibited
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, (5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4H-imidazol-4-one, 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ...
著者Xia, D, Esser, L, Zhou, F, Zhou, Y, Xiao, Y, Tang, W.K, Yu, C.A, Qin, Z.
登録日2016-06-25
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.652 Å)
主引用文献Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III.
J.Biol.Chem., 291, 2016
4YJE
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BU of 4yje by Molmil
Crystal structure of APC-ARM in complexed with Amer1-A1
分子名称: APC membrane recruitment protein 1, Adenomatous polyposis coli protein
著者Zhang, Z, Xiao, Y, Wu, G.
登録日2015-03-03
公開日2016-03-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners
Cell Discov, 1, 2015
4YJL
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BU of 4yjl by Molmil
Crystal structure of APC-ARM in complexed with Amer1-A2
分子名称: 1,2-ETHANEDIOL, APC membrane recruitment protein 1, Adenomatous polyposis coli protein
著者Zhang, Z, Xiao, Y, Wu, G.
登録日2015-03-03
公開日2016-03-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners
Cell Discov, 1, 2015
4YK6
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BU of 4yk6 by Molmil
Crystal structure of APC-ARM in complexed with Amer1-A4
分子名称: APC membrane recruitment protein 1, Adenomatous polyposis coli protein
著者Zhang, Z, Xiao, Y, Wu, G.
登録日2015-03-04
公開日2016-03-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners
Cell Discov, 1, 2015
4ZM6
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BU of 4zm6 by Molmil
A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain GH3 beta-N-acetylglucosaminidase
分子名称: ACETYL COENZYME *A, N-acetyl-beta-D glucosaminidase, SULFATE ION
著者Qin, Z, Xiao, Y, Yang, X, Jiang, Z, Yang, S, Mesters, J.R.
登録日2015-05-02
公開日2015-12-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain glycoside hydrolase family 3 beta-N-acetylglucosaminidase
Sci Rep, 5, 2015
5HQC
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BU of 5hqc by Molmil
A Glycoside Hydrolase Family 97 enzyme R171K variant from Pseudoalteromonas sp. strain K8
分子名称: CALCIUM ION, CHLORIDE ION, FORMIC ACID, ...
著者Li, J, He, C, Xiao, Y.
登録日2016-01-21
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
J. Struct. Biol., 196, 2016
1U9S
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BU of 1u9s by Molmil
Crystal structure of the specificity domain of Ribonuclease P of the A-type
分子名称: BARIUM ION, RIBONUCLEASE P
著者Krasilnikov, A.S, Xiao, Y, Pan, T, Mondragon, A.
登録日2004-08-10
公開日2004-10-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Basis for structural diversity in homologous RNAs.
Science, 306, 2004
5H9E
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BU of 5h9e by Molmil
Crystal structure of E. coli Cascade bound to a PAM-containing dsDNA target (32-nt spacer) at 3.20 angstrom resolution.
分子名称: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
著者Hayes, R.P, Xiao, Y, Ding, F, van Erp, P.B.G, Rajashankar, K, Bailey, S, Wiedenheft, B, Ke, A.
登録日2015-12-28
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structural basis for promiscuous PAM recognition in type I-E Cascade from E. coli.
Nature, 530, 2016
5H9F
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BU of 5h9f by Molmil
Crystal structure of E. coli Cascade bound to a PAM-containing dsDNA target at 2.45 angstrom resolution.
分子名称: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
著者Hayes, R.P, Xiao, Y, Ding, F, van Erp, P.B.G, Rajashankar, K, Bailey, S, Wiedenheft, B, Ke, A.
登録日2015-12-28
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for promiscuous PAM recognition in type I-E Cascade from E. coli.
Nature, 530, 2016
3VCA
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BU of 3vca by Molmil
Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman and UV-visible Spectroscopic Analysis of a Rieske-type Demethylase
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
著者Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N.
登録日2012-01-03
公開日2012-02-08
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
J.Am.Chem.Soc., 134, 2012
3VCP
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BU of 3vcp by Molmil
The 2.2 Angstrom structure of Stc2 with proline bound in the active site
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, PROLINE, ...
著者Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N.
登録日2012-01-04
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
J.Am.Chem.Soc., 134, 2012
4F7K
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BU of 4f7k by Molmil
Crystal structure of Lac15 from a marine microbial metagenome
分子名称: GLYCEROL, Laccase
著者Ge, H, Xiao, Y.
登録日2012-05-16
公開日2013-05-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Lac15 from a marine microbial metagenome
To be Published
3O5Z
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BU of 3o5z by Molmil
Crystal structure of the SH3 domain from p85beta subunit of phosphoinositide 3-kinase (PI3K)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit beta
著者Chen, S, Xiao, Y, Ponnusamy, R, Tan, J, Lei, J, Hilgenfeld, R.
登録日2010-07-28
公開日2011-08-10
最終更新日2014-09-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献X-ray structure of the SH3 domain of the phosphoinositide 3-kinase p85 beta subunit
Acta Crystallogr.,Sect.F, 67, 2011
4JNM
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BU of 4jnm by Molmil
Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties
分子名称: 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ...
著者Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S.
登録日2013-03-15
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties.
Bioorg.Med.Chem.Lett., 23, 2013
2YNA
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BU of 2yna by Molmil
Crystal structure of the main protease of coronavirus HKU4
分子名称: 3C-LIKE PROTEINASE, GLYCEROL, IMIDAZOLE, ...
著者Ma, Q, Xiao, Y, Hilgenfeld, R.
登録日2012-10-13
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibitor for the Main Protease of Coronavirus Hku4
To be Published
3SJM
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BU of 3sjm by Molmil
Crystal Structure Analysis of TRF2-Dbd-DNA complex
分子名称: DNA (5'-D(*CP*TP*CP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*GP*A)-3'), Telomeric repeat-binding factor 2
著者Nair, S.K, Sliverman, S.K, Chen, J.H, Xiao, Y.
登録日2011-06-21
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure Analysis of TRF2-Dbd-DNA complex
To be Published
8WGX
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BU of 8wgx by Molmil
Cryo-EM structure of inward-open state human norepinephrine transporter NET bound with norepinephrine in nanodisc.
分子名称: L-NOREPINEPHRINE, Sodium-dependent noradrenaline transporter
著者Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
登録日2023-09-22
公開日2024-07-31
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
8Z1L
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BU of 8z1l by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant atomoxetine in an outward-open state at resolution of 3.4 angstrom.
分子名称: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, Sodium-dependent noradrenaline transporter
著者Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
登録日2024-04-11
公開日2024-07-31
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
8WGR
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BU of 8wgr by Molmil
Cryo-EM structure of inward-open state human norepinephrine transporter NET bound with antidepressant desipramine in KCl condition.
分子名称: 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, POTASSIUM ION, ...
著者Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
登録日2023-09-22
公開日2024-07-31
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
4LVA
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BU of 4lva by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVG
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BU of 4lvg by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4M6Q
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BU of 4m6q by Molmil
Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-08-10
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013

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