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6Q4X
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BU of 6q4x by Molmil
Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana
分子名称: SODIUM ION, Uncharacterized protein
著者Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
登録日2018-12-06
公開日2019-09-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
1OKV
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BU of 1okv by Molmil
Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, H-ARG-ARG-LEU-ILE-PHE-NH2
著者Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P.
登録日2003-07-30
公開日2003-12-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
6Q64
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BU of 6q64 by Molmil
BT1044SeMet E190Q
分子名称: Endoglycosidase
著者Basle, A, Paterson, N, Crouch, L, Bolam, D.
登録日2018-12-10
公開日2019-05-08
最終更新日2019-09-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Complex N-glycan breakdown by gut Bacteroides involves an extensive enzymatic apparatus encoded by multiple co-regulated genetic loci.
Nat Microbiol, 4, 2019
6GA6
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BU of 6ga6 by Molmil
Bacteriorhodopsin, 10 ps state, real-space refined against 10% extrapolated map
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6Q34
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BU of 6q34 by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 196 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-12-03
公開日2019-07-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
6GAG
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BU of 6gag by Molmil
BACTERIORHODOPSIN, 630 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6Q3M
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BU of 6q3m by Molmil
Structure of CHD4 PHD2 - tandem chromodomains
分子名称: 1,2-ETHANEDIOL, Chromodomain-helicase-DNA-binding protein 4, DI(HYDROXYETHYL)ETHER, ...
著者Alt, A, Mancini, E.J.
登録日2018-12-04
公開日2019-12-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structure of histone readers
To Be Published
6Q7C
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BU of 6q7c by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11
分子名称: 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.049 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6QAG
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BU of 6qag by Molmil
ERK2 mini-fragment binding
分子名称: 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-19
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QAZ
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BU of 6qaz by Molmil
Crystal structure of gp41-1 intein
分子名称: CITRATE ANION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Mikula, K.M, Beyer, H.M, Li, M, Wlodawer, A, Iwai, H.
登録日2018-12-20
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献The crystal structure of the naturally split gp41-1 intein guides the engineering of orthogonal split inteins from cis-splicing inteins.
Febs J., 287, 2020
1CZ5
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BU of 1cz5 by Molmil
NMR STRUCTURE OF VAT-N: THE N-TERMINAL DOMAIN OF VAT (VCP-LIKE ATPASE OF THERMOPLASMA)
分子名称: VCP-LIKE ATPASE
著者Coles, M, Diercks, T, Liermann, J, Groeger, A, Rockel, B, Baumeister, W, Koretke, K, Lupas, A, Peters, J, Kessler, H.
登録日1999-09-01
公開日1999-10-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of VAT-N reveals a 'missing link' in the evolution of complex enzymes from a simple betaalphabetabeta element.
Curr.Biol., 9, 1999
6VKL
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BU of 6vkl by Molmil
Negative stain reconstruction of the yeast exocyst octameric complex.
分子名称: Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ...
著者Frost, A, Munson, M.
登録日2020-01-21
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献Exocyst structural changes associated with activation of tethering downstream of Rho/Cdc42 GTPases.
J. Cell Biol., 219, 2020
6ORI
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BU of 6ori by Molmil
Enterococcal surface protein, partial N-terminal region
分子名称: CALCIUM ION, EF0056
著者Spiegelman, L, Zhang, L, Tezcan, A, Ghosh, P.
登録日2019-04-30
公開日2020-05-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Enterococcal surface protein, partial N-terminal region (CASP target)
To Be Published
6OL9
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BU of 6ol9 by Molmil
Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
著者Vuckovic, Z, Christopoulos, A, Thal, D.M.
登録日2019-04-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Crystal structure of the M5muscarinic acetylcholine receptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
8AVB
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BU of 8avb by Molmil
Cryo-EM structure for mouse leptin in complex with the mouse LEP-R ectodomain (1:2 mLEP:mLEPR model).
分子名称: Leptin, Leptin receptor
著者Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
登録日2022-08-26
公開日2023-04-05
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
2WNZ
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BU of 2wnz by Molmil
Structure of the E192N mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate in space group P21 crystal form I
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 2-ETHOXYETHANOL, LACTIC ACID, ...
著者Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A.
登録日2009-07-21
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution.
J.Mol.Biol., 404, 2010
2WHB
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BU of 2whb by Molmil
Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
分子名称: ARG-ARG-L3O-PFF, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2
著者Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M.
登録日2009-05-03
公開日2009-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Truncation and optimisation of peptide inhibitors of cyclin-dependent kinase 2-cyclin a through structure-guided design.
Chemmedchem, 4, 2009
5I1I
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BU of 5i1i by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV4-1
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
6OXQ
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BU of 6oxq by Molmil
HIV-1 Protease NL4-3 WT in Complex with UMass8
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXV
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BU of 6oxv by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-85
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OY3
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BU of 6oy3 by Molmil
nhTMEM16 L302A +Ca2+ in nanodiscs
分子名称: CALCIUM ION, nhTMEM16
著者Falzone, M, Lee, B.C, Accardi, A.
登録日2019-05-14
公開日2019-11-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Dynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca 2+ -bound nhTMEM16.
Nat Commun, 10, 2019
6HFP
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BU of 6hfp by Molmil
Human dihydroorotase mutant F1563T co-crystallized with carbamoyl aspartate at pH 7.0
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
著者Ramon-Maiques, S, Grande Garcia, A.
登録日2018-08-21
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1982286 Å)
主引用文献Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
6OSS
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BU of 6oss by Molmil
Crystal Structure of the Acyl-Carrier-Protein UDP-N-Acetylglucosamine O-Acyltransferase LpxA from Proteus mirabilis
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHITE ION, SULFATE ION
著者Kim, Y, Stogios, P, Skarina, T, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-02
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of the Acyl-Carrier-Protein UDP-N-Acetylglucosamine O-Acyltransferase LpxA from Proteus mirabilis
To Be Published
5I1L
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BU of 5i1l by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV5-51/IGKV4-1
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN, GLYCEROL
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
6FX1
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BU of 6fx1 by Molmil
Crystal structure of Pholiota squarrosa lectin in complex with an octasaccharide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, ...
著者Cabanettes, A, Varrot, A.
登録日2018-03-08
公開日2018-07-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin.
Angew. Chem. Int. Ed. Engl., 57, 2018

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