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7F8N
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BU of 7f8n by Molmil
Human pannexin-1 showing a conformational change in the N-terminal domain and blocked pore
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Pannexin-1
Authors:Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A.
Deposit date:2021-07-02
Release date:2022-01-26
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids.
Sci.Signal., 15, 2022
7F8O
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BU of 7f8o by Molmil
Cryo-EM structure of the C-terminal deletion mutant of human PANX1 in a nanodisc
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Pannexin-1
Authors:Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A.
Deposit date:2021-07-02
Release date:2022-01-26
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids.
Sci.Signal., 15, 2022
3MUF
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BU of 3muf by Molmil
Shikimate kinase from Helicobacter pylori in complex with shikimate-3-phosphate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SHIKIMATE-3-PHOSPHATE, Shikimate kinase
Authors:Cheng, W.C, Chen, T.J, Lin, S.C, Wang, W.C.
Deposit date:2010-05-03
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism
Plos One, 7, 2012
6FF6
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BU of 6ff6 by Molmil
Crystal structure of novel repeat protein BRIC1
Descriptor: BRIC1
Authors:ElGamacy, M, Coles, M, Ernst, P, Zhu, H, Hartmann, M.D, Plueckthun, A, Lupas, A.N.
Deposit date:2018-01-03
Release date:2018-09-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An Interface-Driven Design Strategy Yields a Novel, Corrugated Protein Architecture.
ACS Synth Biol, 7, 2018
5VN3
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BU of 5vn3 by Molmil
Cryo-EM model of B41 SOSIP.664 in complex with soluble CD4 (D1-D2) and fragment antigen binding variable domain of 17b
Descriptor: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ozorowski, G, Pallesen, J, Ward, A.B.
Deposit date:2017-04-28
Release date:2017-07-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Open and closed structures reveal allostery and pliability in the HIV-1 envelope spike.
Nature, 547, 2017
3MYR
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BU of 3myr by Molmil
Crystal structure of [NiFe] hydrogenase from Allochromatium vinosum in its Ni-A state
Descriptor: CHLORIDE ION, FE3-S4 CLUSTER, Hydrogenase (NiFe) small subunit HydA, ...
Authors:Ogata, H, Kellers, P, Lubitz, W.
Deposit date:2010-05-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of the [NiFe] hydrogenase from the photosynthetic bacterium Allochromatium vinosum: characterization of the oxidized enzyme (Ni-A state).
J.Mol.Biol., 402, 2010
6G1X
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BU of 6g1x by Molmil
CryoEM structure of the MDA5-dsRNA filament with 91-degree helical twist
Descriptor: Interferon-induced helicase C domain-containing protein 1, RNA (5'-R(P*CP*GP*UP*CP*AP*UP*GP*CP*GP*CP*AP*UP*GP*GP*A)-3'), RNA (5'-R(P*UP*CP*CP*AP*UP*GP*CP*GP*CP*AP*UP*GP*AP*CP*G)-3'), ...
Authors:Yu, Q, Qu, K, Modis, Y.
Deposit date:2018-03-22
Release date:2018-11-21
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Cryo-EM Structures of MDA5-dsRNA Filaments at Different Stages of ATP Hydrolysis.
Mol. Cell, 72, 2018
5SW3
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BU of 5sw3 by Molmil
Crystal Structure of TGT in complex with 3-Pyridinecarboxylic acid, 6-(dimethylamino)
Descriptor: 6-(dimethylamino)pyridine-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2016-08-08
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
7BDV
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BU of 7bdv by Molmil
Structure of Can2 from Sulfobacillus thermosulfidooxidans in complex with cyclic tetra-adenylate (cA4)
Descriptor: Can2, Cyclic tetraadenosine monophosphate (cA4)
Authors:McQuarrie, S, McMahon, S.A, Gloster, T.M, White, M.F, Graham, S, Zhu, W, Gruschow, S.
Deposit date:2020-12-22
Release date:2021-03-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The CRISPR ancillary effector Can2 is a dual-specificity nuclease potentiating type III CRISPR defence.
Nucleic Acids Res., 49, 2021
5OOK
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BU of 5ook by Molmil
Structure of A. marina Phycocyanin contains overlapping isoforms
Descriptor: DI(HYDROXYETHYL)ETHER, PHYCOCYANOBILIN, Phycocyanin, ...
Authors:Bar-Zvi, S, Lahav, A, Blankenship, E.R, Adir, N.
Deposit date:2017-08-08
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural heterogeneity leads to functional homogeneity in A. marina phycocyanin.
Biochim. Biophys. Acta, 1859, 2018
6FML
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BU of 6fml by Molmil
CryoEM Structure INO80core Nucleosome complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin related protein 5, ...
Authors:Eustermann, S, Schall, K, Kostrewa, D, Strauss, M, Hopfner, K.
Deposit date:2018-01-31
Release date:2018-04-25
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Structural basis for ATP-dependent chromatin remodelling by the INO80 complex.
Nature, 556, 2018
7BBW
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BU of 7bbw by Molmil
Neisseria gonorrhoeae transaldolase, variant C38S
Descriptor: GLYCEROL, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2020-12-18
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
7BBX
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BU of 7bbx by Molmil
Neisseria gonorrhoeae transaldolase, variant K8A
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K.
Deposit date:2020-12-18
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
7BEV
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BU of 7bev by Molmil
NMR structure of an optimized version of the first TPR domain of the human SPAG1 protein
Descriptor: Sperm-associated antigen 1
Authors:Dermouche, S, Chagot, M.E, Quinternet, M.
Deposit date:2020-12-29
Release date:2021-03-31
Last modified:2024-01-31
Method:SOLUTION NMR
Cite:Optimizing the First TPR Domain of the Human SPAG1 Protein Provides Insight into the HSP70 and HSP90 Binding Properties.
Biochemistry, 60, 2021
7F7N
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BU of 7f7n by Molmil
Solution structure of apo-WhiB4 from Mycobacterium tuberculosis
Descriptor: Transcriptional regulator WhiB4
Authors:Xia, B, Duan, B.
Deposit date:2021-06-30
Release date:2021-11-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:DNA binding mechanism of WhiB4 from Mycobacterium tuberculosis
Magn Reson Lett, 2, 2022
3N3Y
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BU of 3n3y by Molmil
Crystal structure of Thymidylate Synthase X (ThyX) from Helicobacter pylori with FAD and dUMP at 2.31A resolution
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
Authors:Wang, K, Wang, Q, Chen, J, Chen, L, Jiang, H, Shen, X.
Deposit date:2010-05-21
Release date:2011-05-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Structure, Enzymatic Characterization and Inhibitor Discovery of Thymidylate Synthase X (ThyX) from Helicobacter pylori Strain SS1
To be Published
3JSF
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BU of 3jsf by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 638 at 1.93a resolution
Descriptor: 7-(2-fluorobenzyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-10
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
5VN8
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BU of 5vn8 by Molmil
Cryo-EM model of B41 SOSIP.664 in complex with fragment antigen binding variable domain of b12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Ozorowski, G, Pallesen, J, Ward, A.B, Cottrell, C.A.
Deposit date:2017-04-28
Release date:2017-07-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Open and closed structures reveal allostery and pliability in the HIV-1 envelope spike.
Nature, 547, 2017
7BO9
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BU of 7bo9 by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe).
Descriptor: CC-Type2-(VaYd)4-Y3F-W19(BrPhe), GLYCEROL
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2021-01-24
Release date:2021-05-19
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
7BO8
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BU of 7bo8 by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F.
Descriptor: 1,2-ETHANEDIOL, CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F, OXAMIC ACID
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2021-01-24
Release date:2021-05-19
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
7BOA
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BU of 7boa by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(YaFd)4-W19(BrPhe).
Descriptor: CC-Type2-(YaFd)4-W19(BrPhe)
Authors:Rhys, G.G, Martin, F.J.O, Brady, R.L, Woolfson, D.N.
Deposit date:2021-01-24
Release date:2021-05-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
6K3L
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BU of 6k3l by Molmil
Crystal structure of CX-4945 bound Cka1 from C. neoformans
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CMGC/CK2 protein kinase, SULFATE ION
Authors:Cho, H.S, Yoo, Y.
Deposit date:2019-05-20
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural analysis of fungal pathogenicity-related casein kinase alpha subunit, Cka1, in the human fungal pathogen Cryptococcus neoformans.
Sci Rep, 9, 2019
3NKA
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BU of 3nka by Molmil
Crystal structure of AqpZ H174G,T183F
Descriptor: Aquaporin Z, GLYCEROL, octyl beta-D-glucopyranoside
Authors:Savage, D.F, O'Connell III, J.D, Finer-Moore, J, Stroud, R.M.
Deposit date:2010-06-18
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural context shapes the aquaporin selectivity filter.
Proc.Natl.Acad.Sci.USA, 107, 2010
3JAV
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BU of 3jav by Molmil
Structure of full-length IP3R1 channel in the apo-state determined by single particle cryo-EM
Descriptor: Inositol 1,4,5-trisphosphate receptor type 1
Authors:Fan, G, Baker, M.L, Wang, Z, Baker, M.R, Sinyagovskiy, P.A, Chiu, W, Ludtke, S.J, Serysheva, I.I.
Deposit date:2015-06-30
Release date:2015-10-07
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Gating machinery of InsP3R channels revealed by electron cryomicroscopy.
Nature, 527, 2015
6G1S
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BU of 6g1s by Molmil
CryoEM structure of the MDA5-dsRNA filament with 87-degree helical twist
Descriptor: Interferon-induced helicase C domain-containing protein 1, RNA (5'-R(P*CP*GP*UP*CP*AP*UP*GP*CP*GP*CP*AP*UP*GP*GP*A)-3'), RNA (5'-R(P*UP*CP*CP*AP*UP*GP*CP*GP*CP*AP*UP*GP*AP*CP*G)-3'), ...
Authors:Yu, Q, Qu, K, Modis, Y.
Deposit date:2018-03-21
Release date:2018-11-21
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Cryo-EM Structures of MDA5-dsRNA Filaments at Different Stages of ATP Hydrolysis.
Mol. Cell, 72, 2018

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