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4Q5I
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BU of 4q5i by Molmil
Crystal structure of a T151A mutant of the E. coli FeoB G-domain
分子名称: Ferrous iron transport protein B, SULFATE ION
著者Jormakka, M, Guilfoyle, A.P, Deshpande, C.N, Maher, M.
登録日2014-04-17
公開日2015-04-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Exploring the correlation between the sequence composition of the nucleotide binding G5 loop of the FeoB GTPase domain (NFeoB) and intrinsic rate of GDP release.
Biosci.Rep., 34, 2014
2JF7
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BU of 2jf7 by Molmil
Structure of Strictosidine Glucosidase
分子名称: STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
著者Barleben, L, Panjikar, S, Ruppert, M, Koepke, J, Stockigt, J.
登録日2007-01-26
公開日2008-02-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Molecular Architecture of Strictosidine Glucosidase - the Gateway to the Biosynthesis of the Monoterpenoid Indole Alkaloid Family
Plant Cell, 19, 2007
2JK0
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BU of 2jk0 by Molmil
Structural and functional insights into Erwinia carotovora L- asparaginase
分子名称: ASPARTIC ACID, L-ASPARAGINASE
著者Papageorgiou, A.C, Posypanova, G.A, Andersson, C.S, Sokolov, N.N, Krasotkina, J.
登録日2008-05-23
公開日2008-08-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Insights Into Erwinia Carotovora L-Asparaginase.
FEBS J., 275, 2008
3QWR
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BU of 3qwr by Molmil
Crystal structure of IL-23 in complex with an adnectin
分子名称: ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
著者Wei, A, Sheriff, S.
登録日2011-02-28
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
2J6G
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BU of 2j6g by Molmil
FaeG from F4ac ETEC strain 5_95, produced in tobacco plant chloroplast
分子名称: ACETATE ION, FAEG
著者Van Molle, I, Joensuu, J.J, Buts, L, Panjikar, S, Kotiaho, M, Bouckaert, J, Wyns, L, Niklander-Teeri, V, De Greve, H.
登録日2006-09-28
公開日2007-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Chloroplasts Assemble the Major Subunit Faeg of Escherichia Coli F4 (K88) Fimbriae Into Strand-Swapped Dimers
J.Mol.Biol., 368, 2007
1F9E
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BU of 1f9e by Molmil
CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO
分子名称: (PHQ)DEVD, CASPASE-8 ALPHA CHAIN, CASPASE-8 BETA CHAIN
著者Blanchard, H, Donepudi, M, Tschopp, M, Kodandapani, L, Wu, J.C, Grutter, M.G.
登録日2000-07-10
公開日2001-07-10
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Caspase-8 specificity probed at subsite S(4): crystal structure of the caspase-8-Z-DEVD-cho complex.
J.Mol.Biol., 302, 2000
6AX5
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BU of 6ax5 by Molmil
RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1.
分子名称: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
著者Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V.
登録日2017-09-06
公開日2017-10-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献INI1/SMARCB1 Rpt1 domain mimics TAR RNA in binding to integrase to facilitate HIV-1 replication.
Nat Commun, 12, 2021
4J3L
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Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
分子名称: 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ...
著者Jansson, A.E, Larsson, E.A, Nordlund, P.L.
登録日2013-02-05
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
5YRV
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BU of 5yrv by Molmil
Diol dehydratase, AdoCbl/1,2-propanediol, anaerobically-prepared crystal
分子名称: 5'-DEOXYADENOSINE, CALCIUM ION, CHLORIDE ION, ...
著者Shibata, N.
登録日2017-11-10
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Direct Participation of a Peripheral Side Chain of a Corrin Ring in Coenzyme B12Catalysis.
Angew. Chem. Int. Ed. Engl., 57, 2018
4ISF
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BU of 4isf by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide
分子名称: (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Hosfield, D, Skene, R.J.
登録日2013-01-16
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
4IUU
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BU of 4iuu by Molmil
Crystal structure of SHH1 SAWADEE domain in complex with H3K9me1 peptide
分子名称: CYMAL-4, Histone H3.2, H3(1-15)K9me3, ...
著者Du, J, Patel, D.J.
登録日2013-01-21
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Polymerase IV occupancy at RNA-directed DNA methylation sites requires SHH1.
Nature, 498, 2013
6N33
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BU of 6n33 by Molmil
Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622
分子名称: 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
著者Zhang, Y.
登録日2018-11-14
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model.
Nat Commun, 10, 2019
6CQG
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BU of 6cqg by Molmil
YycF Effector Domain Structure without DNA bound
分子名称: DNA-binding response regulator, ZINC ION
著者Riboldi-Tunnicliffe, A, Gabrielsen, M, Williamson, R.M, Panjikar, S.
登録日2018-03-15
公開日2019-06-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献YycF Effector Domain Structure without DNA bound
To Be Published
4ISE
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BU of 4ise by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide
分子名称: (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Hosfield, D, Skene, R.J.
登録日2013-01-16
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
6TEA
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BU of 6tea by Molmil
Tail of native GTA particle computed with helical refinement, C6 symmetry
分子名称: Phage major tail protein, TP901-1 family
著者Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
登録日2019-11-11
公開日2020-07-22
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
4IUT
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BU of 4iut by Molmil
crystal structure of SHH1 SAWADEE domain in complex with H3K9me2 peptide
分子名称: CYMAL-4, Histone H3.2, H3(1-15)K9me3, ...
著者Du, J, Patel, D.J.
登録日2013-01-21
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Polymerase IV occupancy at RNA-directed DNA methylation sites requires SHH1.
Nature, 498, 2013
6TK4
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BU of 6tk4 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ns+16ns structure of KR2 with extrapolated, light and dark datasets
分子名称: EICOSANE, RETINAL, Sodium pumping rhodopsin
著者Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J.
登録日2019-11-28
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
4ISG
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BU of 4isg by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
分子名称: (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Hosfield, D, Skene, R.J.
登録日2013-01-16
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.645 Å)
主引用文献Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
6CEE
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BU of 6cee by Molmil
Crystal structure of fragment 3-(1-Methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)propionic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2018-02-11
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6TK6
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BU of 6tk6 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in neutral conditions with attached light datasets at 800fs, 2ps, 100ps, 1ns, 16ns, 1us, 30us, 150us, 1ms and 20ms
分子名称: EICOSANE, RETINAL, Sodium pumping rhodopsin
著者Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J.
登録日2019-11-28
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
6TO8
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BU of 6to8 by Molmil
Neck of empty GTA particle computed with C12 symmetry
分子名称: Adaptor protein Rcc01688, Portal protein Rcc01684
著者Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
登録日2019-12-11
公開日2020-07-22
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
4J1Z
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BU of 4j1z by Molmil
Tankyrase 2 in complex with 4-chloro-1,2-dihydrophatalzin-one
分子名称: 4-chlorophthalazin-1(2H)-one, SULFATE ION, Tankyrase-2, ...
著者Jansson, A.E.
登録日2013-02-03
公開日2013-07-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
6TB9
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BU of 6tb9 by Molmil
Capsid of native GTA particle computed with C5 symmetry
分子名称: Head spike base Rcc01079, Head spike fiber Rcc01080, Major capsid protein Rcc01687
著者Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
登録日2019-11-01
公開日2020-07-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
4IUQ
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BU of 4iuq by Molmil
crystal structure of SHH1 SAWADEE domain
分子名称: CYMAL-4, SAWADEE HOMEODOMAIN HOMOLOG 1, ZINC ION
著者Du, J, Patel, D.J.
登録日2013-01-21
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.809 Å)
主引用文献Polymerase IV occupancy at RNA-directed DNA methylation sites requires SHH1.
Nature, 498, 2013
2JKG
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BU of 2jkg by Molmil
Plasmodium falciparum profilin
分子名称: MAGNESIUM ION, OCTAPROLINE PEPTIDE, PROFILIN
著者Kursula, I, Kursula, P, Ganter, M, Panjikar, S, Matuschewski, K, Schueler, H.
登録日2008-08-28
公開日2008-09-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Basis for Parasite-Specific Functions of the Divergent Profilin of Plasmodium Falciparum.
Structure, 16, 2008

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