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4PZ2
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BU of 4pz2 by Molmil
Structure of Zm ALDH2-6 (RF2F) in complex with NAD
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2014-03-28
公開日2015-03-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7.
Biochem.J., 468, 2015
4PXL
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BU of 4pxl by Molmil
Structure of Zm ALDH2-3 (RF2C) in complex with NAD
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cytosolic aldehyde dehydrogenase RF2C, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2014-03-24
公開日2015-03-18
最終更新日2015-05-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7.
Biochem.J., 468, 2015
4RVX
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BU of 4rvx by Molmil
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL079
分子名称: (4S)-4-amino-N-[(2S,3S)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide, HIV-1 Protease
著者Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H.
登録日2014-11-28
公開日2016-05-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.955 Å)
主引用文献Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1.
To be Published
4TLK
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BU of 4tlk by Molmil
Crystal Structure of Human Transthyretin Ser85Pro/Glu92Pro Mutant
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SODIUM ION, ...
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-05-30
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4S0I
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BU of 4s0i by Molmil
Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123A mutant
分子名称: Threonine--tRNA ligase
著者Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G.
登録日2014-12-31
公開日2015-03-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
4TKH
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BU of 4tkh by Molmil
The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
登録日2014-05-26
公開日2015-01-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
4TKJ
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BU of 4tkj by Molmil
The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with palmitic acid
分子名称: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Fatty acid-binding protein, heart, ...
著者Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
登録日2014-05-26
公開日2015-01-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.87 Å)
主引用文献Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
4TM6
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BU of 4tm6 by Molmil
Crystal Structure of EutL from Clostridium Perfringens at 298K
分子名称: Ethanolamine utilization protein EutL, SODIUM ION
著者Thompson, M.C, Cascio, D, Yeates, T.O.
登録日2014-05-31
公開日2015-03-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9002 Å)
主引用文献An allosteric model for control of pore opening by substrate binding in the EutL microcompartment shell protein.
Protein Sci., 24, 2015
4RTD
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BU of 4rtd by Molmil
Escherichia coli alpha-2-macroglobulin activated by porcine elastase
分子名称: Uncharacterized lipoprotein YfhM
著者Fyfe, C.D, Grinter, R, Roszak, A.W, Josts, I, Cogdell, R.J, Walker, D.
登録日2014-11-14
公開日2015-07-15
最終更新日2015-07-29
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Structure of protease-cleaved Escherichia coli alpha-2-macroglobulin reveals a putative mechanism of conformational activation for protease entrapment.
Acta Crystallogr.,Sect.D, 71, 2015
4RWH
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BU of 4rwh by Molmil
Crystal structure of T cell costimulatory ligand B7-1 (CD80)
分子名称: T-lymphocyte activation antigen CD80
著者Fedorov, A.A, Fedorov, E.V, Samanta, D, Hillerich, B, Seidel, R.D, Almo, S.C.
登録日2014-12-04
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Crystal structure of T cell costimulatory ligand B7-1 (CD80)
To be Published
4TLU
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BU of 4tlu by Molmil
Crystal Structure of Human Transthyretin Ala108Trp Mutant
分子名称: CHLORIDE ION, Transthyretin
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-05-30
公開日2015-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Human Transthyretin Ala108Trp Mutant
to be published
4TNG
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BU of 4tng by Molmil
Crystal Structure of Human Transthyretin Thr119Met Mutant
分子名称: Transthyretin
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-06-04
公開日2015-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Human Transthyretin Thr119Met Mutant
to be published
4TL5
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BU of 4tl5 by Molmil
Crystal Structure of Human Transthyretin Ser85Pro Mutant
分子名称: CHLORIDE ION, SODIUM ION, Transthyretin
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-05-28
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4RL2
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BU of 4rl2 by Molmil
Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
分子名称: (1R)-2-({(R)-carboxy[(2R,5S)-4-carboxy-5-methyl-5,6-dihydro-2H-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium, Beta-lactamase NDM-1, ZINC ION
著者Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W.
登録日2014-10-15
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
4RM5
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BU of 4rm5 by Molmil
Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
分子名称: Beta-lactamase NDM-1, ZINC ION
著者Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W.
登録日2014-10-19
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
4TQL
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BU of 4tql by Molmil
Computationally designed three helix bundle
分子名称: Three helix bundle
著者Nannenga, B.L, Oberdorfer, G, DiMaio, F, Baker, D, Gonen, T.
登録日2014-06-11
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献High thermodynamic stability of parametrically designed helical bundles.
Science, 346, 2014
4RVJ
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BU of 4rvj by Molmil
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with amprenavir
分子名称: HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H.
登録日2014-11-26
公開日2016-05-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1
To be Published
4TS8
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BU of 4ts8 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with XZ08
分子名称: 1,2-ETHANEDIOL, 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, CREB-binding protein
著者Dong, J, Gartenmann, L, Spiliotopoulos, D, Caflisch, A.
登録日2014-06-18
公開日2015-07-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with XZ08
To Be Published
4RNY
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BU of 4rny by Molmil
Structure of Helicobacter pylori Csd3 from the orthorhombic crystal
分子名称: Conserved hypothetical secreted protein, GLYCEROL, SULFATE ION, ...
著者An, D.R, Kim, H.S, Kim, J, Im, H.N, Yoon, H.J, Yoon, J.Y, Jang, J.Y, Hesek, D, Lee, M, Mobashery, S, Kim, S.-J, Lee, B.I, Suh, S.W.
登録日2014-10-27
公開日2015-03-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Csd3 from Helicobacter pylori, a cell shape-determining metallopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
4TM9
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BU of 4tm9 by Molmil
Crystal Structure of Human Transthyretin Thr119Trp Mutant
分子名称: Transthyretin
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-05-31
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4TQA
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BU of 4tqa by Molmil
Crystal Structure of a GDP-bound G13D Oncogenic Mutant of Human GTPase KRas
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D.
登録日2014-06-10
公開日2015-06-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
4U00
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BU of 4u00 by Molmil
Crystal structure of TTHA1159 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Amino acid ABC transporter, ATP-binding protein, ...
著者Karthiga Devi, S, Chichili, V.P.R, Velmurugan, D, Sivaraman, J.
登録日2014-07-11
公開日2015-05-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the hydrolysis of ATP by a nucleotide binding subunit of an amino acid ABC transporter from Thermus thermophilus
J.Struct.Biol., 190, 2015
6DQH
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BU of 6dqh by Molmil
Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif
分子名称: Beta-lactamase, PHOSPHATE ION, ZINC ION
著者Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G.
登録日2018-06-11
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.104 Å)
主引用文献Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
6DRY
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BU of 6dry by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
著者McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
4D3E
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BU of 4d3e by Molmil
Tetramer of IpaD, modified from 2J0O, fitted into negative stain electron microscopy reconstruction of the wild type tip complex from the type III secretion system of Shigella flexneri
分子名称: INVASIN IPAD
著者Cheung, M, Shen, D.-K, Makino, F, Kato, T, Roehrich, D, Martinez-Argudo, I, Walker, M.L, Murillo, I, Liu, X, Pain, M, Brown, J, Frazer, G, Mantell, J, Mina, P, Todd, T, Sessions, R.B, Namba, K, Blocker, A.J.
登録日2014-10-21
公開日2014-12-10
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (24 Å)
主引用文献Three-Dimensional Electron Microscopy Reconstruction and Cysteine-Mediated Crosslinking Provide a Model of the T3Ss Needle Tip Complex.
Mol.Microbiol., 95, 2015

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