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8WKL
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BU of 8wkl by Molmil
Rauvolfia serpentina strictosidine synthase (RsSTR) in complex with a non-reactive tryptamine substitute crystallized in P1211 space group
分子名称: 2-(2-methyl-1H-indol-3-yl)ethanamine, DI(HYDROXYETHYL)ETHER, Strictosidine synthase
著者Nitin, K, Rajakumara, E.
登録日2023-09-28
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Proxy-approach in understanding the bisubstrate activity of strictosidine synthases.
Int.J.Biol.Macromol., 262, 2024
7YXA
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BU of 7yxa by Molmil
XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ...
著者Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
登録日2022-02-15
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors.
Nat Commun, 13, 2022
6EID
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BU of 6eid by Molmil
Crystal structure of wild-type Channelrhodopsin 2
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Archaeal-type opsin 2, PHOSPHATE ION, ...
著者Borshchevskiy, V, Kovalev, K, Volkov, O, Polovinkin, V, Marin, E, Balandin, T, Astashkin, R, Bamann, C, Bueldt, G, Willlbold, D, Popov, A, Bamberg, E, Gordeliy, V.
登録日2017-09-19
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural insights into ion conduction by channelrhodopsin 2.
Science, 358, 2017
6EIG
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BU of 6eig by Molmil
Crystal structure of N24Q/C128T mutant of Channelrhodopsin 2
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Archaeal-type opsin 2, EICOSANE, ...
著者Kovalev, K, Borshchevskiy, V, Volkov, O, Polovinkin, V, Marin, E, Balandin, T, Astashkin, R, Bamann, C, Bueldt, G, Willlbold, D, Popov, A, Bamberg, E, Gordeliy, V.
登録日2017-09-19
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insights into ion conduction by channelrhodopsin 2.
Science, 358, 2017
8AMO
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BU of 8amo by Molmil
Crystal structure of M. tuberculosis CYP143
分子名称: CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2022-08-03
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
8AMP
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BU of 8amp by Molmil
Crystal structure of M.tuberculosis ferredoxin Fdx
分子名称: FE (III) ION, FE3-S4 CLUSTER, Possible ferredoxin
著者Bukhdruker, S, Kavaleuski, A, Marin, E, Kapranov, I, Mishin, A, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2022-08-03
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
8AMQ
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BU of 8amq by Molmil
Crystal structure of the complex CYP143-FdxE from M. tuberculosis
分子名称: FE3-S4 CLUSTER, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bukhdruker, S, Varaksa, T, Smolskaya, S, Marin, E, Kapranov, I, Kovalev, K, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2022-08-03
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
8ANQ
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BU of 8anq by Molmil
Crystal structure of the microbial rhodopsin from Sphingomonas paucimobilis (SpaR)
分子名称: Bacteriorhodopsin, EICOSANE
著者Kovalev, K, Okhrimenko, I, Marin, E, Gordeliy, V.
登録日2022-08-05
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mirror proteorhodopsins.
Commun Chem, 6, 2023
6FLL
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BU of 6fll by Molmil
SPECTROSCOPIC AND STRUCTURAL STUDY OF QW, A EGFP MUTANT SHOWING PHOTOSWITCHING PROPERTIES
分子名称: Green fluorescent protein
著者Garau, G, Margheritis, E.
登録日2018-01-26
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Role of Gln222 in Photoswitching of Aequorea Fluorescent Proteins: A Twisting and H-Bonding Affair?
Acs Chem.Biol., 13, 2018
6GQ1
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BU of 6gq1 by Molmil
Cryo-EM reconstruction of yeast 80S ribosome in complex with mRNA, tRNA and eEF2 (GMPPCP/sordarin)
分子名称: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
著者Pellegrino, S, Demeshkina, N, Mancera-Martinez, E, Melnikov, S, Simonetti, A, Myasnikov, A, Yusupov, M, Yusupova, G, Hashem, Y.
登録日2018-06-07
公開日2018-07-11
最終更新日2018-08-08
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural Insights into the Role of Diphthamide on Elongation Factor 2 in mRNA Reading-Frame Maintenance.
J. Mol. Biol., 430, 2018
7R5K
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BU of 7r5k by Molmil
Human nuclear pore complex (constricted)
分子名称: Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ...
著者Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M.
登録日2022-02-10
公開日2022-06-22
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献AI-based structure prediction empowers integrative structural analysis of human nuclear pores.
Science, 376, 2022
7R5J
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BU of 7r5j by Molmil
Human nuclear pore complex (dilated)
分子名称: Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ...
著者Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M.
登録日2022-02-10
公開日2022-09-21
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (50 Å)
主引用文献AI-based structure prediction empowers integrative structural analysis of human nuclear pores
Science, 376, 2022
7ZB9
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BU of 7zb9 by Molmil
Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole in the absence of glycerol (NoCryo)
分子名称: CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, MAGNESIUM ION, ...
著者Bukhdruker, S, Varaksa, T, Marin, E, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2022-03-23
公開日2023-01-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural insights into the effects of glycerol on ligand binding to cytochrome P450.
Acta Crystallogr D Struct Biol, 79, 2023
5AC9
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BU of 5ac9 by Molmil
Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design
分子名称: VP1, VP2, VP3, ...
著者Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, PerezMartin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
登録日2015-08-14
公開日2015-09-23
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
1CRC
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BU of 1crc by Molmil
CYTOCHROME C AT LOW IONIC STRENGTH
分子名称: CYTOCHROME C, HEME C
著者Sanishvili, R, Volz, K.W, Westbrook, E.M, Margoliash, E.
登録日1995-03-22
公開日1996-03-08
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The low ionic strength crystal structure of horse cytochrome c at 2.1 A resolution and comparison with its high ionic strength counterpart.
Structure, 3, 1995
5ACA
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BU of 5aca by Molmil
Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design
分子名称: VP1, VP2, VP3, ...
著者Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
登録日2015-08-14
公開日2015-09-23
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
5D8A
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BU of 5d8a by Molmil
Crystal structure of recombinant foot-and-mouth-disease virus A22-H2093F empty capsid
分子名称: VP1, VP2, VP3, ...
著者Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
登録日2015-08-16
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based energetics of protein interfaces guides foot-and-mouth disease virus vaccine design.
Nat.Struct.Mol.Biol., 22, 2015
5DDJ
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BU of 5ddj by Molmil
Crystal structure of recombinant foot-and-mouth-disease virus O1M-S2093Y empty capsid
分子名称: Foot and mouth disease virus, VP1, VP2, ...
著者Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
登録日2015-08-25
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure-based energetics of protein interfaces guides foot-and-mouth disease virus vaccine design.
Nat.Struct.Mol.Biol., 22, 2015
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
分子名称: BB1
著者Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D.
登録日2018-04-10
公開日2018-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
4R80
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BU of 4r80 by Molmil
Crystal Structure of a De Novo Designed Beta Sheet Protein, Cystatin Fold, Northeast Structural Genomics Consortium (NESG) Target OR486
分子名称: OR486
著者Guan, R, Marcos, E, O'Connell, P, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2014-08-29
公開日2014-09-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Crystal Structure of an engineered protein with denovo beta sheet design, Northeast Structural Genomics Consortium (NESG) Target OR486
To be Published
1PE4
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BU of 1pe4 by Molmil
SOLUTION STRUCTURE OF TOXIN CN12 FROM CENTRUROIDES NOXIUS ALFA SCORPION TOXIN ACTING ON SODIUM CHANNELS. NMR STRUCTURE
分子名称: Neurotoxin Cn11
著者Del Rio-Portilla, F, Hernandez-Marin, E, Pimienta, G, Coronas, F.V, Zamudio, F.Z, Rodrguez de la Vega, R.C, Wanke, E, Possani, L.D.
登録日2003-05-21
公開日2004-05-25
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献NMR solution structure of Cn12, a novel peptide from the Mexican scorpion Centruroides noxius with a typical beta-toxin sequence but with alpha-like physiological activity.
Eur.J.Biochem., 271, 2004
4HJJ
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BU of 4hjj by Molmil
Structure Reveals Function of the Dual Variable Domain Immunoglobulin (DVD-Ig) Molecule
分子名称: Anti-IL12 Anti-IL18 DFab Heavy Chain, Anti-IL12 Anti-IL18 DFab Light Chain, CHLORIDE ION, ...
著者Jakob, C.G, Edalji, R, Judge, R.A, DiGiammarino, E, Li, Y, Gu, J, Ghayur, T.
登録日2012-10-12
公開日2013-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure reveals function of the dual variable domain immunoglobulin (DVD-Ig[TM]) molecule
MAbs, 5, 2013
3BZ3
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BU of 3bz3 by Molmil
Crystal Structure Analysis of Focal Adhesion Kinase with a Methanesulfonamide Diaminopyrimidine Inhibitor
分子名称: Focal adhesion kinase 1, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
著者Vajdos, F, Marr, E.
登録日2008-01-17
公開日2008-04-01
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antitumor activity and pharmacology of a selective focal adhesion kinase inhibitor, PF-562,271.
Cancer Res., 68, 2008
1NI8
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BU of 1ni8 by Molmil
H-NS dimerization motif
分子名称: DNA-binding protein H-NS
著者Bloch, V, Yang, Y, Margeat, E, Chavanieu, A, Aug, M.T, Robert, B, Arold, S, Rimsky, S, Kochoyan, M.
登録日2002-12-22
公開日2003-02-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The H-NS dimerisation domain defines a new fold contributing to DNA recognition
Nat.Struct.Biol., 10, 2003
1U2Q
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BU of 1u2q by Molmil
Crystal structure of Mycobacterium tuberculosis Low Molecular Weight Protein Tyrosine Phosphatase (MPtpA) at 2.5A resolution with glycerol in the active site
分子名称: CHLORIDE ION, GLYCEROL, low molecular weight protein-tyrosine-phosphatase
著者Madhurantakam, C, Rajakumara, E, Mazumdar, P.A, Saha, B, Mitra, D, Wiker, H.G, Sankaranarayanan, R, Das, A.K.
登録日2004-07-20
公開日2005-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of Low-Molecular-Weight Protein Tyrosine Phosphatase from Mycobacterium tuberculosis at 1.9-A Resolution
J.Bacteriol., 187, 2005

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