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2I47
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BU of 2i47 by Molmil
Crystal structure of catalytic domain of TACE with inhibitor
Descriptor: 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
Authors:Xu, W, Condon, J.S, Lovering, F.E.
Deposit date:2006-08-21
Release date:2006-12-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of potent and selective TACE inhibitors via the S1 pocket.
Bioorg.Med.Chem.Lett., 17, 2007
9B9S
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BU of 9b9s by Molmil
Crystal structure of the ligand binding domain of the Halomonas titanicae chemoreceptor Htc10 in complex with guanine
Descriptor: Chemotaxis protein, GUANINE
Authors:Ramos Ricciuti, F.E, Herrera Seitz, M.K, Gasperotti, A.F, Boyko, A, Jung, K, Bellinzoni, M, Lisa, M.N, Studdert, C.A.
Deposit date:2024-04-03
Release date:2024-11-20
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The chemoreceptor controlling the Wsp-like transduction pathway in Halomonas titanicae KHS3 binds and responds to purine derivatives.
Febs J., 292, 2025
3K0X
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BU of 3k0x by Molmil
Crystal structure of telomere capping protein Ten1 from Saccharomyces pombe
Descriptor: IODIDE ION, Protein Ten1
Authors:Gelinas, A.D, Reyes, F.E, Batey, R.T, Wuttke, D.S.
Deposit date:2009-09-25
Release date:2009-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Telomere capping proteins are structurally related to RPA with an additional telomere-specific domain.
Proc.Natl.Acad.Sci.USA, 106, 2009
6OIF
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BU of 6oif by Molmil
Cryo-EM structure of human TorsinA filament
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Torsin-1A
Authors:Zheng, W, Demircioglu, F.E, Schwartz, T.U, Egelman, E.H.
Deposit date:2019-04-09
Release date:2019-07-24
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:The AAA + ATPase TorsinA polymerizes into hollow helical tubes with 8.5 subunits per turn.
Nat Commun, 10, 2019
7JPN
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BU of 7jpn by Molmil
Cryo-EM structure of Arpin-bound Arp2/3 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ...
Authors:van Eeuwen, T, Fregoso, F.E, Dominguez, R, Zimmet, A, Boczkowska, M, Rebowski, G.
Deposit date:2020-08-09
Release date:2022-02-09
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Molecular mechanism of Arp2/3 complex inhibition by Arpin.
Nat Commun, 13, 2022
4L81
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BU of 4l81 by Molmil
Structure of the SAM-I/IV riboswitch (env87(deltaU92, deltaG93))
Descriptor: COBALT HEXAMMINE(III), MAGNESIUM ION, S-ADENOSYLMETHIONINE, ...
Authors:Trausch, J.J, Reyes, F.E, Edwards, A.L, Batey, R.T.
Deposit date:2013-06-15
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for diversity in the SAM clan of riboswitches.
Proc.Natl.Acad.Sci.USA, 111, 2014
1EFP
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BU of 1efp by Molmil
ELECTRON TRANSFER FLAVOPROTEIN (ETF) FROM PARACOCCUS DENITRIFICANS
Descriptor: ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (ELECTRON TRANSFER FLAVOPROTEIN)
Authors:Roberts, D.L, Salazar, D, Fulmer, J.P, Frerman, F.E, Kim, J.J.-P.
Deposit date:1998-12-18
Release date:1999-08-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Paracoccus denitrificans electron transfer flavoprotein: structural and electrostatic analysis of a conserved flavin binding domain.
Biochemistry, 38, 1999
3SEM
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BU of 3sem by Molmil
SEM5 SH3 DOMAIN COMPLEXED WITH PEPTOID INHIBITOR
Descriptor: SEX MUSCLE ABNORMAL PROTEIN 5, SH3 PEPTOID INHIBITOR
Authors:Nguyen, J.T, Turck, C.W, Cohen, F.E, Zuckermann, R.N, Lim, W.A.
Deposit date:1998-11-02
Release date:1999-01-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploiting the basis of proline recognition by SH3 and WW domains: design of N-substituted inhibitors.
Science, 282, 1998
5K7P
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BU of 5k7p by Molmil
MicroED structure of xylanase at 2.3 A resolution
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T.
Deposit date:2016-05-26
Release date:2017-04-05
Last modified:2024-02-28
Method:ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
1LE5
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BU of 1le5 by Molmil
Crystal structure of a NF-kB heterodimer bound to an IFNb-kB
Descriptor: 5'-D(*AP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*C)-3', 5'-D(*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*T)-3', Nuclear factor NF-kappa-B p50 subunit, ...
Authors:Berkowitz, B, Huang, D.B, Chen-Park, F.E, Sigler, P.B, Ghosh, G.
Deposit date:2002-04-09
Release date:2003-04-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The X-ray crystal structure of the NF-kB p50/p65 heterodimer bound to the Interferon beta-kB site
J.Biol.Chem., 277, 2002
6GBM
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BU of 6gbm by Molmil
Solution structure of FUS-RRM bound to stem-loop RNA
Descriptor: RNA (5'-R(*GP*GP*CP*AP*GP*AP*UP*UP*AP*CP*AP*AP*UP*UP*CP*UP*AP*UP*UP*UP*GP*CP*C)-3'), RNA-binding protein FUS
Authors:Loughlin, F.E, Allain, F.H.-T.
Deposit date:2018-04-15
Release date:2019-02-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Solution Structure of FUS Bound to RNA Reveals a Bipartite Mode of RNA Recognition with Both Sequence and Shape Specificity.
Mol. Cell, 73, 2019
6G99
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BU of 6g99 by Molmil
Solution structure of FUS-ZnF bound to UGGUG
Descriptor: RNA (5'-R(*UP*GP*GP*UP*G)-3'), RNA-binding protein FUS, ZINC ION
Authors:Loughlin, F.E, Allain, F.H.-T.
Deposit date:2018-04-10
Release date:2019-02-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Solution Structure of FUS Bound to RNA Reveals a Bipartite Mode of RNA Recognition with Both Sequence and Shape Specificity.
Mol. Cell, 73, 2019
9B9X
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BU of 9b9x by Molmil
Crystal structure of the ligand binding domain of the Halomonas titanicae chemoreceptor Htc10 in complex with hypoxanthine
Descriptor: Chemotaxis protein, HYPOXANTHINE
Authors:Ramos Ricciuti, F.E, Herrera Seitz, M.K, Gasperotti, A.F, Boyko, A, Jung, K, Bellinzoni, M, Lisa, M.N, Studdert, C.A.
Deposit date:2024-04-03
Release date:2024-11-20
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:The chemoreceptor controlling the Wsp-like transduction pathway in Halomonas titanicae KHS3 binds and responds to purine derivatives.
Febs J., 292, 2025
9BA3
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BU of 9ba3 by Molmil
High-resolution crystal structure of the ligand binding domain of the Halomonas titanicae chemoreceptor Htc10 in complex with guanine
Descriptor: Chemotaxis protein, GUANINE
Authors:Ramos Ricciuti, F.E, Herrera Seitz, M.K, Gasperotti, A.F, Boyko, A, Jung, K, Bellinzoni, M, Lisa, M.N, Studdert, C.A.
Deposit date:2024-04-03
Release date:2024-11-20
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The chemoreceptor controlling the Wsp-like transduction pathway in Halomonas titanicae KHS3 binds and responds to purine derivatives.
Febs J., 292, 2025
1DYZ
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BU of 1dyz by Molmil
OXIDISED AZURIN II FROM ALCALIGENES XYLOSOXIDANS
Descriptor: AZURIN II, COPPER (II) ION
Authors:Dodd, F.E, Abraham, Z.H.L, Eady, R.R, Hasnain, S.S.
Deposit date:2000-02-11
Release date:2000-07-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of Oxidised and Reduced Azurin II from Alcaligenes Xylosoxidans at 1.75 Angstoms Resolution
Acta Crystallogr.,Sect.D, 56, 2000
1DO6
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BU of 1do6 by Molmil
CRYSTAL STRUCTURE OF SUPEROXIDE REDUCTASE IN THE OXIDIZED STATE AT 2.0 ANGSTROM RESOLUTION
Descriptor: FE (III) ION, SUPEROXIDE REDUCTASE
Authors:Yeh, A.P, Hu, Y, Jenney Junior, F.E, Adams, M.W, Rees, D.C.
Deposit date:1999-12-19
Release date:2000-03-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the superoxide reductase from Pyrococcus furiosus in the oxidized and reduced states.
Biochemistry, 39, 2000
3SD3
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BU of 3sd3 by Molmil
The structure of the tetrahydrofolate riboswitch containing a U25C mutation
Descriptor: IRIDIUM HEXAMMINE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, Tetrahydrofolate riboswitch
Authors:Reyes, F.E, Trausch, J.J, Ceres, P, Batey, R.T.
Deposit date:2011-06-08
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structure of a tetrahydrofolate-sensing riboswitch reveals two ligand binding sites in a single aptamer.
Structure, 19, 2011
1DZ0
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BU of 1dz0 by Molmil
REDUCED AZURIN II FROM ALCALIGENES XYLOSOXIDANS
Descriptor: AZURIN II, COPPER (I) ION
Authors:Dodd, F.E, Abraham, Z.H.L, Eady, R.R, Hasnain, S.S.
Deposit date:2000-02-11
Release date:2000-07-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of Oxidised and Reduced Azurin II from Alcaligenes Xylosoxidans at 1.75 Angstoms Resolution
Acta Crystallogr.,Sect.D, 56, 2000
1DQI
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BU of 1dqi by Molmil
CRYSTAL STRUCTURE OF SUPEROXIDE REDUCTASE FROM P. FURIOSUS IN THE OXIDIZED STATE AT 1.7 ANGSTROMS RESOLUTION
Descriptor: FE (III) ION, SUPEROXIDE REDUCTASE
Authors:Yeh, A.P, Hu, Y, Jenney Jr, F.E, Adams, M.W.W, Rees, D.C.
Deposit date:2000-01-04
Release date:2000-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the superoxide reductase from Pyrococcus furiosus in the oxidized and reduced states.
Biochemistry, 39, 2000
1DQK
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BU of 1dqk by Molmil
CRYSTAL STRUCTURE OF SUPEROXIDE REDUCTASE IN THE REDUCED STATE AT 2.0 ANGSTROMS RESOLUTION
Descriptor: FE (II) ION, SUPEROXIDE REDUCTASE
Authors:Yeh, A.P, Hu, Y, Jenney Jr, F.E, Adams, M.W.W, Rees, D.C.
Deposit date:2000-01-04
Release date:2000-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the superoxide reductase from Pyrococcus furiosus in the oxidized and reduced states.
Biochemistry, 39, 2000
5O0U
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BU of 5o0u by Molmil
Crystal structure of tarantula venom peptide Protoxin-II
Descriptor: 1,2-ETHANEDIOL, Beta/omega-theraphotoxin-Tp2a, CHLORIDE ION
Authors:Tabor, A, McCarthy, S, Reyes, F.E.
Deposit date:2017-05-17
Release date:2017-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:The Role of Disulfide Bond Replacements in Analogues of the Tarantula Toxin ProTx-II and Their Effects on Inhibition of the Voltage-Gated Sodium Ion Channel Nav1.7.
J.Am.Chem.Soc., 139, 2017
5NGZ
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BU of 5ngz by Molmil
Ube2T in complex with fragment EM04
Descriptor: 1-(1,3-benzothiazol-2-yl)methanamine, Ubiquitin-conjugating enzyme E2 T
Authors:Morreale, F.E, Bortoluzzi, A, Chaugule, V.K, Arkinson, C, Walden, H, Ciulli, A.
Deposit date:2017-03-21
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric Targeting of the Fanconi Anemia Ubiquitin-Conjugating Enzyme Ube2T by Fragment Screening.
J. Med. Chem., 60, 2017
5OJJ
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BU of 5ojj by Molmil
Crystal structure of the Zn-bound ubiquitin-conjugating enzyme Ube2T
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Ubiquitin-conjugating enzyme E2 T, ...
Authors:Morreale, F.E, Testa, A, Chaugule, V.K, Bortoluzzi, A, Ciulli, A, Walden, H.
Deposit date:2017-07-21
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mind the Metal: A Fragment Library-Derived Zinc Impurity Binds the E2 Ubiquitin-Conjugating Enzyme Ube2T and Induces Structural Rearrangements.
J. Med. Chem., 60, 2017
4ER4
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BU of 4er4 by Molmil
HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES
Descriptor: ENDOTHIAPEPSIN, H-142
Authors:Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L.
Deposit date:1991-01-05
Release date:1991-04-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
2XO0
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BU of 2xo0 by Molmil
xpt-pbuX C74U Riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening
Descriptor: 1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R.
Deposit date:2010-08-09
Release date:2011-04-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Novel ligands for a purine riboswitch discovered by RNA-ligand docking.
Chem. Biol., 18, 2011

238582

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