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1EPR
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BU of 1epr by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-135,040
Descriptor: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Authors:Badasso, M, Crawford, M, Cooper, J.B, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
Protein Sci., 3, 1994
6VQL
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BU of 6vql by Molmil
CRYSTAL STRUCTURE OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4-WT) COMPLEX WITH A NICOTINAMIDE INHIBITOR
Descriptor: 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
Authors:Sack, J.S.
Deposit date:2020-02-05
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020
2K9U
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BU of 2k9u by Molmil
Solution NMR structure of the Filamin-migfilin complex
Descriptor: Filamin-binding LIM protein 1, Gamma filamin
Authors:Ithychanda, S.N, Qin, J.
Deposit date:2008-10-24
Release date:2008-12-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Migfilin, a molecular switch in regulation of integrin activation.
J.Biol.Chem., 284, 2009
2MTP
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BU of 2mtp by Molmil
The structure of Filamin repeat 21 bound to integrin
Descriptor: Filamin-A, Integrin alpha-IIb, Integrin beta-3
Authors:Liu, J, Qin, J.
Deposit date:2014-08-28
Release date:2015-04-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural mechanism of integrin inactivation by filamin.
Nat.Struct.Mol.Biol., 22, 2015
7SC4
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BU of 7sc4 by Molmil
filamin complex-1
Descriptor: Filamin-A/Integrin alpha-IIb light chain, form 2 chimera, SULFATE ION
Authors:Liu, J, Qin, J.
Deposit date:2021-09-27
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A mechanism of platelet integrin alpha IIb beta 3 outside-in signaling through a novel integrin alpha IIb subunit-filamin-actin linkage.
Blood, 141, 2023
7SFT
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BU of 7sft by Molmil
Filamin complex-2
Descriptor: Filamin-A, Integrin alpha-IIb light chain, form 2
Authors:Liu, J, Qin, J.
Deposit date:2021-10-04
Release date:2023-04-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A mechanism of platelet integrin alpha IIb beta 3 outside-in signaling through a novel integrin alpha IIb subunit-filamin-actin linkage.
Blood, 141, 2023
5VZJ
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BU of 5vzj by Molmil
STRUCTURE OF A TWELVE COMPONENT MPP6-NUCLEAR RNA EXOSOME COMPLEX BOUND TO RNA
Descriptor: Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ...
Authors:Lima, C.D, Wasmuth, E.V.
Deposit date:2017-05-28
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and reconstitution of yeast Mpp6-nuclear exosome complexes reveals that Mpp6 stimulates RNA decay and recruits the Mtr4 helicase.
Elife, 6, 2017
7SZ2
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BU of 7sz2 by Molmil
Mouse PARP13/ZAP ZnF5-WWE1-WWE2 bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ...
Authors:Ayanath Kuttiyatveetil, J.R, Pascal, J.M.
Deposit date:2021-11-25
Release date:2022-10-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose).
Cell Rep, 41, 2022
7SZ3
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BU of 7sz3 by Molmil
Mouse PARP13/ZAP ZnF5-WWE1-WWE2 bound to ADPr
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, PHOSPHATE ION, ...
Authors:Ayanath Kuttiyatveetil, J.R, Pascal, J.M.
Deposit date:2021-11-25
Release date:2022-10-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose).
Cell Rep, 41, 2022
6LXY
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BU of 6lxy by Molmil
IRAK4 in complex with inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide, SULFATE ION
Authors:Ghosh, K, Bose, S.
Deposit date:2020-02-12
Release date:2020-11-25
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020
7SXM
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BU of 7sxm by Molmil
Structure of Xenon-derivatized Methyl-Coenzyme M Reductase from Methanothermobacter marburgensis
Descriptor: 1-THIOETHANESULFONIC ACID, ACETATE ION, Coenzyme B, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2021-11-23
Release date:2022-04-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase.
J.Inorg.Biochem., 230, 2022
4V33
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BU of 4v33 by Molmil
Crystal structure of the putative polysaccharide deacetylase BA0330 from bacillus anthracis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, POLYSACCHARIDE DEACETYLASE-LIKE PROTEIN, ...
Authors:Giastas, P, Andreou, A, Bouriotis, V, Eliopoulos, E.
Deposit date:2014-10-16
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Two Putative Polysaccharide Deacetylases are Required for Osmotic Stability and Cell Shape Maintenance in Bacillus Anthracis.
J.Biol.Chem., 290, 2015
1EMT
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BU of 1emt by Molmil
FAB ANTIBODY FRAGMENT OF AN C60 ANTIFULLERENE ANTIBODY
Descriptor: IGG ANTIBODY (HEAVY CHAIN), IGG ANTIBODY (LIGHT CHAIN)
Authors:Braden, B.C, Goldbaum, F.A, Chen, B.-X, Erlanger, B.F, Kirschner, A.N, Wilson, S.R.
Deposit date:2000-03-17
Release date:2000-11-01
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:X-ray crystal structure of an anti-Buckminsterfullerene antibody fab fragment: biomolecular recognition of C(60).
Proc.Natl.Acad.Sci.USA, 97, 2000
5NCR
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BU of 5ncr by Molmil
OH1 from the Orf virus: a tyrosine phosphatase that displays distinct structural features and triple substrate specificity
Descriptor: PHOSPHATE ION, SULFATE ION, tyrosine phosphatase
Authors:Segovia, D, Haouz, A, Berois, M, Villarino, A, Andre-Leroux, G.
Deposit date:2017-03-06
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:OH1 from Orf Virus: A New Tyrosine Phosphatase that Displays Distinct Structural Features and Triple Substrate Specificity.
J. Mol. Biol., 429, 2017
7M75
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BU of 7m75 by Molmil
Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J.
Deposit date:2021-03-26
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
7M78
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BU of 7m78 by Molmil
Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J.
Deposit date:2021-03-26
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
7M76
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BU of 7m76 by Molmil
Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J.
Deposit date:2021-03-26
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
7QUR
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BU of 7qur by Molmil
SARS-CoV-2 Spike with ethylbenzamide-tri-iodo Siallyllactose, C3 symmetry
Descriptor: 2,3,5-tris(iodanyl)benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Naismith, J.H, Yang, Y, Liu, J.W.
Deposit date:2022-01-18
Release date:2022-06-01
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
7QUS
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BU of 7qus by Molmil
SARS-CoV-2 Spike, C3 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Naismith, J.H, Yang, Y, Liu, J.W.
Deposit date:2022-01-18
Release date:2022-06-08
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
8R6A
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BU of 8r6a by Molmil
DTX1 WWE domain in complex with ADP bound to WWE1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, E3 ubiquitin-protein ligase DTX1
Authors:Muenzker, L, Zak, K.M, Boettcher, J.
Deposit date:2023-11-21
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
8R7O
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BU of 8r7o by Molmil
HUWE1 WWE domain in complex with 2'F-ATP
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, SODIUM ION, ...
Authors:Muenzker, L, Boettcher, J.
Deposit date:2023-11-27
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
8RD1
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BU of 8rd1 by Molmil
HUWE1 WWE domain in complex with compound 4
Descriptor: 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1
Authors:Muenzker, L, Zak, K.M, Boettcher, J.
Deposit date:2023-12-07
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
8RD7
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BU of 8rd7 by Molmil
HUWE1 WWE domain in complex with ADP-ribose
Descriptor: ACETATE ION, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, ...
Authors:Muenzker, L, Zak, K.M, Boettcher, J.
Deposit date:2023-12-07
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
8R5N
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BU of 8r5n by Molmil
DTX1 WWE domain in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase DTX1
Authors:Muenzker, L, Zak, K.M, Boettcher, J.
Deposit date:2023-11-17
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.812 Å)
Cite:A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
8R6B
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BU of 8r6b by Molmil
DTX1 WWE domain in complex with ADP bound to WWE2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, E3 ubiquitin-protein ligase DTX1
Authors:Muenzker, L, Zak, K.M, Boettcher, J.
Deposit date:2023-11-21
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024

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