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7SLK
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BU of 7slk by Molmil
[U:Ag+:U--pH 9] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2021-10-24
Release date:2022-10-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
4W4O
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BU of 4w4o by Molmil
High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
Authors:Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K.
Deposit date:2014-08-15
Release date:2015-04-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
4V7Q
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BU of 4v7q by Molmil
Atomic model of an infectious rotavirus particle
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Core scaffold protein, ...
Authors:Settembre, E.C, Chen, J.Z, Dormitzer, P.R, Grigorieff, N, Harrison, S.C.
Deposit date:2010-05-13
Release date:2014-07-09
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Atomic model of an infectious rotavirus particle.
Embo J., 30, 2011
4WEI
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BU of 4wei by Molmil
Crystal structure of the F4 fimbrial adhesin FaeG in complex with lactose
Descriptor: K88 fimbrial protein AD, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Moonens, K, Van den Broeck, I, De Kerpel, M, Deboeck, F, Raymaekers, H, Remaut, H, De Greve, H.
Deposit date:2014-09-10
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Insight into the Carbohydrate Receptor Binding of F4 Fimbriae-producing Enterotoxigenic Escherichia coli.
J.Biol.Chem., 290, 2015
4ZVF
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BU of 4zvf by Molmil
Crystal structure of GGDEF domain of the E. coli DosC - form II (GTP-alpha-S-bound)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Diguanylate cyclase DosC, ...
Authors:Tarnawski, M, Barends, T.R.M, Schlichting, I.
Deposit date:2015-05-18
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural analysis of an oxygen-regulated diguanylate cyclase.
Acta Crystallogr.,Sect.D, 71, 2015
6PCR
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BU of 6pcr by Molmil
E. coli 50S ribosome bound to compound 40o
Descriptor: (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2019-06-18
Release date:2020-06-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
5O30
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BU of 5o30 by Molmil
Crystal structure of the novel halohydrin dehalogenase HheG
Descriptor: ACETATE ION, GLYCEROL, Putative oxidoreductase
Authors:Diederich, C, Schallmey, A, Blankenfeldt, W.
Deposit date:2017-05-23
Release date:2017-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HheG, a Halohydrin Dehalogenase with Activity on Cyclic Epoxides
Acs Catalysis, 2017
5NTC
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BU of 5ntc by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor SA0678
Descriptor: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ...
Authors:Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
Deposit date:2017-04-27
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of mouse CARM1 in complex with inhibitor SA0678
To Be Published
5A98
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BU of 5a98 by Molmil
Crystal structure of Trichoplusia ni CPV15 polyhedra
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, POLYHEDRIN
Authors:Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I.
Deposit date:2015-07-17
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:Polyhedra Structures and the Evolution of the Insect Viruses.
J.Struct.Biol., 192, 2015
5WE0
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BU of 5we0 by Molmil
Structural Basis for Shelterin Bridge Assembly
Descriptor: DNA-binding protein rap1, Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ...
Authors:Kim, J.-K, Liu, J, Hu, X, Yu, C, Roskamp, K, Sankaran, B, Huang, L, Komives, E.-A, Qiao, F.
Deposit date:2017-07-06
Release date:2017-12-20
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
4ZXE
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BU of 4zxe by Molmil
X-ray crystal structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5.
Descriptor: 1,2-ETHANEDIOL, Glucanase/Chitosanase, SULFATE ION
Authors:Shinya, S, Oi, H, Kitaoku, Y, Ohnuma, T, Numata, T, Fukamizo, T.
Deposit date:2015-05-20
Release date:2016-04-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase
Biochem.J., 473, 2016
5O4W
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BU of 5o4w by Molmil
Protein structure determination by electron diffraction using a single three-dimensional nanocrystal
Descriptor: Lysozyme C
Authors:Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P.
Deposit date:2017-05-31
Release date:2017-08-23
Last modified:2024-01-17
Method:ELECTRON CRYSTALLOGRAPHY (2.11 Å)
Cite:Protein structure determination by electron diffraction using a single three-dimensional nanocrystal.
Acta Crystallogr D Struct Biol, 73, 2017
5NVE
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BU of 5nve by Molmil
Crystal structure of TNKS2 in complex with 2-(4-ethoxyphenyl)-3,4-dihydroquinazolin-4-one
Descriptor: 2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
Deposit date:2017-05-04
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
5WFJ
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BU of 5wfj by Molmil
THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR
Descriptor: 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
Authors:Sack, J.
Deposit date:2017-07-12
Release date:2017-10-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of highly potent, selective, covalent inhibitors of JAK3.
Bioorg. Med. Chem. Lett., 27, 2017
5NWB
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BU of 5nwb by Molmil
Crystal structure of TNKS2 in complex with 2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-3,4-dihydroquinazolin-4-one
Descriptor: 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
Deposit date:2017-05-05
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
6P4H
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BU of 6p4h by Molmil
Structure of a mammalian small ribosomal subunit in complex with the Israeli Acute Paralysis Virus IRES (Class 2)
Descriptor: 18S rRNA, IAPV-IRES, RACK1, ...
Authors:Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S.
Deposit date:2019-05-27
Release date:2019-09-18
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
5NWK
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BU of 5nwk by Molmil
14-3-3c in complex with CPP and fusicoccin
Descriptor: 14-3-3 c-1 protein, FUSICOCCIN, PHOSPHOSERINE, ...
Authors:Saponaro, A, Porro, A, Chaves-Sanjuan, A, Nardini, M, Thiel, G, Moroni, A.
Deposit date:2017-05-06
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Fusicoccin Activates KAT1 Channels by Stabilizing Their Interaction with 14-3-3 Proteins.
Plant Cell, 29, 2017
5O7A
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BU of 5o7a by Molmil
Quinolin-6-yloxyacetamides are microtubule destabilizing agents that bind to the colchicine site of tubulin
Descriptor: (2~{R})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{N}-[(1~{E})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Sharma, A, Olieric, N, Steinmetz, M.O.
Deposit date:2017-06-08
Release date:2017-07-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Quinolin-6-Yloxyacetamides Are Microtubule Destabilizing Agents That Bind to the Colchicine Site of Tubulin.
Int J Mol Sci, 18, 2017
5O8B
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BU of 5o8b by Molmil
Difference-refined excited-state structure of rsEGFP2 1ps following 400nm-laser irradiation of the off-state.
Descriptor: Green fluorescent protein
Authors:Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
Deposit date:2017-06-12
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
4ZWM
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BU of 4zwm by Molmil
2.3 A resolution crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49
Descriptor: Ornithine aminotransferase, mitochondrial, putative, ...
Authors:Filippova, E.V, Minasov, G, Flores, K, Van Le, H, Silverman, R.B, McLeod, R, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-05-19
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:2.3 A resolution crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49
To Be Published
5NS2
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BU of 5ns2 by Molmil
Cys-Gly dipeptidase GliJ in complex with Co2+
Descriptor: CHLORIDE ION, COBALT (II) ION, Dipeptidase gliJ, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2017-04-25
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
4ZXD
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BU of 4zxd by Molmil
Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD
Descriptor: Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit
Authors:Liu, S, Su, T, Zhang, C, Gu, L.
Deposit date:2015-05-20
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.052 Å)
Cite:Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
2BJC
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BU of 2bjc by Molmil
NMR structure of a protein-DNA complex of an altered specificity mutant of the lac repressor headpiece that mimics the gal repressor
Descriptor: 5'-D(*GP*AP*AP*TP*TP*GP*TP*AP*AP*GP *CP*GP*CP*TP*TP*AP*CP*AP*AP*TP*TP*C)-3', LACTOSE OPERON REPRESSOR
Authors:Salinas, R.K, Folkers, G.E, Bonvin, A.M.J.J, Das, D, Boelens, R, Kaptein, R.
Deposit date:2005-02-01
Release date:2005-10-18
Last modified:2020-01-15
Method:SOLUTION NMR
Cite:Altered Specificity in DNA Binding by the Lac Repressor: A Mutant Lac Headpiece that Mimics the Gal Repressor
Chembiochem, 6, 2005
4ZTE
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BU of 4zte by Molmil
Crystal structure of human E-Cadherin (residues 3-213) in complex with a peptidomimetic inhibitor
Descriptor: CALCIUM ION, Cadherin-1, N-{[(2S,5S)-1-benzyl-5-(2-{[(2S,3S)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-L-alpha-asparagine
Authors:Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E.
Deposit date:2015-05-14
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
J.Med.Chem., 59, 2016
5NSK
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BU of 5nsk by Molmil
apo Structure of Leucyl aminopeptidase from Trypanosoma brucei
Descriptor: Aminopeptidase, putative
Authors:Timm, J, Wilson, K.S.
Deposit date:2017-04-26
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018

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