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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
Descriptor: Ferrous iron transport protein B, SULFATE ION
Authors:Jormakka, M, Guilfoyle, A.P, Deshpande, C.N, Maher, M.
Deposit date:2014-04-17
Release date:2015-04-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
Authors:Barleben, L, Panjikar, S, Ruppert, M, Koepke, J, Stockigt, J.
Deposit date:2007-01-26
Release date:2008-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite: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
Descriptor: ASPARTIC ACID, L-ASPARAGINASE
Authors:Papageorgiou, A.C, Posypanova, G.A, Andersson, C.S, Sokolov, N.N, Krasotkina, J.
Deposit date:2008-05-23
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
Authors:Wei, A, Sheriff, S.
Deposit date:2011-02-28
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite: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
Descriptor: ACETATE ION, FAEG
Authors:Van Molle, I, Joensuu, J.J, Buts, L, Panjikar, S, Kotiaho, M, Bouckaert, J, Wyns, L, Niklander-Teeri, V, De Greve, H.
Deposit date:2006-09-28
Release date:2007-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: (PHQ)DEVD, CASPASE-8 ALPHA CHAIN, CASPASE-8 BETA CHAIN
Authors:Blanchard, H, Donepudi, M, Tschopp, M, Kodandapani, L, Wu, J.C, Grutter, M.G.
Deposit date:2000-07-10
Release date:2001-07-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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.
Descriptor: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
Authors:Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V.
Deposit date:2017-09-06
Release date:2017-10-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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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BU of 4j3l by Molmil
Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Descriptor: 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-05
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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
Descriptor: 5'-DEOXYADENOSINE, CALCIUM ION, CHLORIDE ION, ...
Authors:Shibata, N.
Deposit date:2017-11-10
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: (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, ...
Authors:Hosfield, D, Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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
Descriptor: CYMAL-4, Histone H3.2, H3(1-15)K9me3, ...
Authors:Du, J, Patel, D.J.
Deposit date:2013-01-21
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 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
Authors:Zhang, Y.
Deposit date:2018-11-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: DNA-binding response regulator, ZINC ION
Authors:Riboldi-Tunnicliffe, A, Gabrielsen, M, Williamson, R.M, Panjikar, S.
Deposit date:2018-03-15
Release date:2019-06-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.932 Å)
Cite: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
Descriptor: (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Hosfield, D, Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: Phage major tail protein, TP901-1 family
Authors:Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
Deposit date:2019-11-11
Release date:2020-07-22
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite: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
Descriptor: CYMAL-4, Histone H3.2, H3(1-15)K9me3, ...
Authors:Du, J, Patel, D.J.
Deposit date:2013-01-21
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: EICOSANE, RETINAL, Sodium pumping rhodopsin
Authors: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.
Deposit date:2019-11-28
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Hosfield, D, Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.645 Å)
Cite: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
Descriptor: 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors: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)
Deposit date:2018-02-11
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: EICOSANE, RETINAL, Sodium pumping rhodopsin
Authors: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.
Deposit date:2019-11-28
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Adaptor protein Rcc01688, Portal protein Rcc01684
Authors:Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
Deposit date:2019-12-11
Release date:2020-07-22
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite: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
Descriptor: 4-chlorophthalazin-1(2H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E.
Deposit date:2013-02-03
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Head spike base Rcc01079, Head spike fiber Rcc01080, Major capsid protein Rcc01687
Authors:Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
Deposit date:2019-11-01
Release date:2020-07-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite: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
Descriptor: CYMAL-4, SAWADEE HOMEODOMAIN HOMOLOG 1, ZINC ION
Authors:Du, J, Patel, D.J.
Deposit date:2013-01-21
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.809 Å)
Cite: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
Descriptor: MAGNESIUM ION, OCTAPROLINE PEPTIDE, PROFILIN
Authors:Kursula, I, Kursula, P, Ganter, M, Panjikar, S, Matuschewski, K, Schueler, H.
Deposit date:2008-08-28
Release date:2008-09-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural Basis for Parasite-Specific Functions of the Divergent Profilin of Plasmodium Falciparum.
Structure, 16, 2008

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