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8H4H
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BU of 8h4h by Molmil
The apo structure of Aspergillomarasmine A synthetase
分子名称: Rhodanese domain-containing protein
著者Lu, M, Zhang, J, Wang, Z, Han, L.
登録日2022-10-10
公開日2023-10-18
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Investigation of AMA Synthase from Pyrenophora teres f. teres 0-1 for the Synthesis of Aspergillomarasmine A Analogues and Non-Canonical Amino Acids
Adv.Synth.Catal., 366, 2024
9G2A
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BU of 9g2a by Molmil
Staphylococcus aureus MazF in complex with nanobody 4
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoribonuclease MazF, ...
著者Prolic-Kalinsek, M, Zorzini, V, Haesaerts, S, Loris, R.
登録日2024-07-10
公開日2024-07-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.046594 Å)
主引用文献Staphylococcus aureus MazF in complex with nanobody 4.
To Be Published
8OPN
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BU of 8opn by Molmil
Human Coronavirus HKU1 spike glycoprotein in complex with an alpha2,8-linked 9-O-acetylated disialoside (1-up state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-8)-N-acetyl-alpha-neuraminic acid, ...
著者Pronker, M.F, Creutznacher, R, Hurdiss, D.L.
登録日2023-04-07
公開日2023-08-02
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Sialoglycan binding triggers spike opening in a human coronavirus.
Nature, 624, 2023
4XYQ
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BU of 4xyq by Molmil
Structure of AgrA LytTR domain in complex with promoters
分子名称: 1,2-ETHANEDIOL, Accessory gene regulator A, DNA (5'-D(*AP*AP*TP*AP*CP*TP*TP*AP*AP*CP*TP*GP*TP*TP*AP*A)-3'), ...
著者Gopal, B, Rajasree, K.
登録日2015-02-03
公開日2016-04-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational features of theStaphylococcus aureusAgrA-promoter interactions rationalize quorum-sensing triggered gene expression.
Biochem Biophys Rep, 6, 2016
9C4Y
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BU of 9c4y by Molmil
Menin mutant - T349M
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Menin, ...
著者Clegg, B.D, Cierpicki, T, Grembecka, J.
登録日2024-06-05
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献Menin mutant T349M
To Be Published
5IUG
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BU of 5iug by Molmil
Crystal Structure of Anaplastic Lymphoma Kinase (ALK) in complex with 5a
分子名称: ALK tyrosine kinase receptor, N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
著者Tu, C.H, Wu, S.Y.
登録日2016-03-18
公開日2016-05-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK).
J.Med.Chem., 59, 2016
5WP9
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BU of 5wp9 by Molmil
Structural Basis of Mitochondrial Receptor Binding and Constriction by Dynamin-Related Protein 1
分子名称: Dynamin-1-like protein, MAGNESIUM ION, Mitochondrial dynamics protein MID49, ...
著者Kalia, R, Wang, R.Y.R, Yusuf, A, Thomas, P.V, Agard, D.A, Shaw, J.M, Frost, A.
登録日2017-08-03
公開日2018-06-20
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.22 Å)
主引用文献Structural basis of mitochondrial receptor binding and constriction by DRP1.
Nature, 558, 2018
7TB0
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BU of 7tb0 by Molmil
E. faecium MurAA in complex with fosfomycin and UNAG
分子名称: CHLORIDE ION, POTASSIUM ION, SODIUM ION, ...
著者Zhou, Y, Shamoo, Y.
登録日2021-12-21
公開日2022-12-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Enolpyruvate transferase MurAA A149E , identified during adaptation of Enterococcus faecium to daptomycin, increases stability of MurAA-MurG interaction.
J.Biol.Chem., 299, 2023
9G2G
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BU of 9g2g by Molmil
Staphylococcus aureus MazF in complex with nanobody 5
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoribonuclease MazF, Nanobody 5
著者Prolic-Kalinsek, M, Zorzini, V, Haesaerts, S, Loris, R.
登録日2024-07-10
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.80048239 Å)
主引用文献Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF
To Be Published
5LPB
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BU of 5lpb by Molmil
Crystal structure of the BRI1 kinase domain (865-1160) in complex with ADP from Arabidopsis thaliana
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein BRASSINOSTEROID INSENSITIVE 1
著者Bojar, D, Martinez, J, Hothorn, M.
登録日2016-08-12
公開日2016-08-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structures of the phosphorylated BRI1 kinase domain and implications for brassinosteroid signal initiation.
Plant J., 78, 2014
9C4U
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BU of 9c4u by Molmil
Menin mutant T349M in complex with MLL peptide
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Clegg, B.D, Cierpicki, T, Grembecka, J.
登録日2024-06-05
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.569 Å)
主引用文献Menin mutant T349M in complex with MLL peptide
To Be Published
9C4Z
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BU of 9c4z by Molmil
Menin mutant - G331D
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Menin, ...
著者Clegg, B.D, Cierpicki, T, Grembecka, J.
登録日2024-06-05
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Menin mutant - G331D
To Be Published
9C4V
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BU of 9c4v by Molmil
Menin mutant G331D in complex with MLL peptide
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Histone-lysine N-methyltransferase 2A, ...
著者Clegg, B.D, Cierpicki, T, Grembecka, J.
登録日2024-06-05
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Menin mutant G331D in complex with MLL peptide
To Be Published
9C4W
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BU of 9c4w by Molmil
Menin mutant - G331R
分子名称: 1,2-ETHANEDIOL, Menin, SULFATE ION, ...
著者Clegg, B.D, Cierpicki, T, Grembecka, J.
登録日2024-06-05
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献Menin mutant - G331R
To Be Published
6XEE
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BU of 6xee by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 4 apo form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, DI(HYDROXYETHYL)ETHER, ...
著者Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
登録日2020-06-12
公開日2021-12-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
3LEF
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BU of 3lef by Molmil
Crystal structure of HIV epitope-scaffold 4E10_S0_1Z6NA_001
分子名称: 1,2-ETHANEDIOL, Uncharacterized protein 4E10_S0_1Z6NA_001 (T18)
著者Holmes, M.A.
登録日2010-01-14
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
5LQU
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BU of 5lqu by Molmil
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ...
著者Ehler, A, Lerner, C, Ellermann, M, Rudolph, M.G.
登録日2016-08-17
公開日2016-10-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
To be published
5CK1
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BU of 5ck1 by Molmil
selenomethionine BT4246
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, SusD homolog
著者Koropatkin, N.M.
登録日2015-07-15
公開日2016-10-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.835 Å)
主引用文献Mechanistic insight into mucin degradation by the human gut microbiota reveals targeting of the glycoprotein core
to be published
6XED
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BU of 6xed by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to tungstate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
著者Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
登録日2020-06-12
公開日2021-12-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
7TCV
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BU of 7tcv by Molmil
VDAC K12E mutant
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1
著者Khan, F, Abramson, J.
登録日2021-12-28
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Dynamical control of the mitochondrial beta-barrel channel VDAC by electrostatic and mechanical coupling
To Be Published
9JND
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BU of 9jnd by Molmil
Crystal Structure of SME-1 E166A mutant
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
著者Dhankhar, K, Hazra, S.
登録日2024-09-23
公開日2025-10-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of SME-1 E166A mutant
To Be Published
8TS4
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BU of 8ts4 by Molmil
Crystal structure of T. Brucei hypoxanthine guanine phosphoribosyltransferase in complex with [2S,4S]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
分子名称: (3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Guddat, L.W, Guddat, L.W.
登録日2023-08-10
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
9FVO
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BU of 9fvo by Molmil
The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ...
著者Falke, S, Senst, J.M, Guenther, S, Meents, A.
登録日2024-06-27
公開日2024-07-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
8QXZ
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BU of 8qxz by Molmil
Xylanase from Bacillus circulans mutant E78Q/Y69A
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endo-1,4-beta-xylanase, ...
著者Chikunova, A, Saberi, M, Ubbink, M.
登録日2023-10-25
公開日2024-08-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 291, 2024
4Y2C
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M300V 3D polymerase mutant of EMCV
分子名称: GLYCEROL, Genome polyprotein
著者Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L.
登録日2015-02-09
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015

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件を2025-12-03に公開中

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