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4UCM
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CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT
分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, methyl-3-methyl-5-phenyl-2H-pyrazol-4-methyl amine
著者Robinson, D.A, Wyatt, P.G.
登録日2014-12-04
公開日2015-05-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase
Acta Crystallogr.,Sect.F, 71, 2015
8E7S
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III2IV2 respiratory supercomplex from Saccharomyces cerevisiae with 4 bound UQ6
分子名称: (5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, ...
著者Hryc, C.F, Mileykovskaya, E, Baker, M, Dowhan, W.
登録日2022-08-24
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into cardiolipin replacement by phosphatidylglycerol in a cardiolipin-lacking yeast respiratory supercomplex.
Nat Commun, 14, 2023
8DVC
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Receptor ShHTL5 from Striga hermonthica in complex with strigolactone agonist GR24
分子名称: (3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Arellano-Saab, A, Skarina, T, Yim, V, Savchenko, A, Stogios, P.J, McCourt, P.
登録日2022-07-28
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.638 Å)
主引用文献Structural analysis of a hormone-bound Striga strigolactone receptor.
Nat.Plants, 9, 2023
6KRO
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Tankyrase-2 in complex with RK-582
分子名称: 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one, GLYCEROL, PHOSPHATE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
登録日2019-08-22
公開日2020-04-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer.
J.Med.Chem., 63, 2020
6DTC
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Dihydrofolate Reductase (DHFR) of Aspergillus flavus in complex with a small molecule inhibitor
分子名称: (3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Bensen, D.C, Fortier, J.M, Akers-Rodriguez, S, Tari, L.W.
登録日2018-06-15
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prospecting for broad-spectrum inhibitors of fungal dihydrofolate reductase using a structure guided approach.
To be published
4GF9
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BU of 4gf9 by Molmil
Structural insights into the dual strategy of recognition of peptidoglycan recognition protein, PGRP-S: ternary complex of PGRP-S with LPS and fatty acid
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, Peptidoglycan recognition protein 1, ...
著者Sharma, P, Dube, D, Sinha, M, Yadav, S, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-08-03
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the dual strategy of recognition by peptidoglycan recognition protein, PGRP-S: structure of the ternary complex of PGRP-S with lipopolysaccharide and stearic acid.
Plos One, 8, 2013
8EII
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BU of 8eii by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form II)
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
7SHF
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BU of 7shf by Molmil
Cryo-EM structure of GPR158 coupled to the RGS7-Gbeta5 complex
分子名称: (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ...
著者Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A.
登録日2021-10-08
公開日2021-12-01
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex.
Science, 375, 2022
6L1Z
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Crystal structure of CK2a1 with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein Kinase 2 subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.90820944 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
8E6O
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Crystal structure of human GCN5 histone acetyltransferase domain
分子名称: Histone acetyltransferase KAT2A, S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate
著者Lu, X.T, Tao, Y.J.
登録日2022-08-23
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of human GCN5 histone acetyltransferase domain
To Be Published
4C5Q
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BU of 4c5q by Molmil
measles virus phosphoprotein tetramerization domain
分子名称: PHOSPHOPROTEIN
著者Blocquel, D, Habchi, J, Durand, E, Sevajol, M, Ferron, F, Papageorgiou, N, Longhi, S.
登録日2013-09-14
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Coiled-Coil Deformations in Crystal Structures: The Measles Virus Phosphoprotein Multimerization Domain as an Illustrative Example.
Acta Crystallogr.,Sect.D, 70, 2014
4UCP
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BU of 4ucp by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT
分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine, TETRADECANOYL-COA
著者Robinson, D.A, Wyatt, P.G.
登録日2014-12-04
公開日2015-05-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase
Acta Crystallogr.,Sect.F, 71, 2015
6L20
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BU of 6l20 by Molmil
Crystal structure of CK2a2 with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, CHLORIDE ION, Casein kinase II subunit alpha'
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.08735132 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
4UCN
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BU of 4ucn by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT
分子名称: 2-PIPERAZIN-1-YL-ANILINE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Wyatt, P.G.
登録日2014-12-04
公開日2015-05-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase
Acta Crystallogr.,Sect.F, 71, 2015
6L21
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BU of 6l21 by Molmil
Crystal structure of CK2a1 H160A with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05451775 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
5YJ2
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BU of 5yj2 by Molmil
Crystal structure of Bacillus sp. TB-90 urate oxidase without dehydration
分子名称: 2-METHOXYETHANOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
著者Hibi, T, Itoh, T, Nishiya, Y.
登録日2017-10-07
公開日2018-10-10
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal structure of Bacillus sp. TB-90 urate oxidase without dehydration
To Be Published
7PDC
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BU of 7pdc by Molmil
The structure of the human tetrameric LL-37 peptide in a channel conformation
分子名称: CHLORIDE ION, Cathelicidin antimicrobial peptide
著者Zeth, K, Sancho-Vaello, E.
登録日2021-08-05
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The structure of the antimicrobial human cathelicidin LL-37 shows oligomerization and channel formation in the presence of membrane mimics.
Sci Rep, 10, 2020
8CFL
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BU of 8cfl by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment E07
分子名称: 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine, ADENINE, Adenosylhomocysteinase, ...
著者Malecki, P.H, Gawel, M, Stepniewska, M, Brzezinski, K.
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry E07
To be published
8BZH
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BU of 8bzh by Molmil
FC-NAc stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZE
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FC-J stabilizer for ERa and 14-3-3
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol, 14-3-3 protein sigma, ERalpha peptide, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a new potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZT
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BU of 8bzt by Molmil
FC-NAg stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-15
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
6S8G
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BU of 6s8g by Molmil
Cryo-EM structure of LptB2FGC in complex with AMP-PNP
分子名称: Inner membrane protein yjgQ, LPS export ABC transporter permease LptF, Lipopolysaccharide ABC transporter, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
1O90
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BU of 1o90 by Molmil
Methionine Adenosyltransferase complexed with a L-methionine analogue
分子名称: (2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
著者Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J.
登録日2002-12-10
公開日2003-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003
1O92
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BU of 1o92 by Molmil
Methionine Adenosyltransferase complexed with ADP and a L-methionine analogue
分子名称: ADENOSINE-5'-DIPHOSPHATE, L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID, MAGNESIUM ION, ...
著者Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J.
登録日2002-12-10
公開日2003-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003
1O9T
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BU of 1o9t by Molmil
Methionine adenosyltransferase complexed with both substrates ATP and methionine
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, METHIONINE, ...
著者Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J.
登録日2002-12-18
公開日2003-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003

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