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8EDB
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BU of 8edb by Molmil
5'-CGCGAATTCGCG-3' and an AT-specific binder (DB1884) complex
Descriptor: 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-09-03
Release date:2023-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
7D24
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BU of 7d24 by Molmil
Hsp90 alpha N-terminal domain in complex with a 4B compund
Descriptor: 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine, Heat shock protein HSP 90-alpha
Authors:Shin, S.C, Kim, E.E.
Deposit date:2020-09-15
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
8BBJ
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BU of 8bbj by Molmil
Secretagogin (mouse) in complex with its target peptide from Syntaxin-4
Descriptor: CACODYLATE ION, CALCIUM ION, Green fluorescent protein,Syntaxin-4, ...
Authors:Schnell, R, Szodorai, E.
Deposit date:2022-10-13
Release date:2024-04-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues.
Proc.Natl.Acad.Sci.USA, 121, 2024
8BAV
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BU of 8bav by Molmil
Secretagogin (human) in complex with its target peptide from SNAP-25
Descriptor: ACETATE ION, CALCIUM ION, Green fluorescent protein,Synaptosomal-associated protein 25, ...
Authors:Schnell, R, Szodorai, E.
Deposit date:2022-10-12
Release date:2024-04-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues.
Proc.Natl.Acad.Sci.USA, 121, 2024
1H26
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BU of 1h26 by Molmil
CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53
Descriptor: CELL DIVISION PROTEIN KINASE 2, CELLULAR TUMOR ANTIGEN P53, CYCLIN A2
Authors:Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N.
Deposit date:2002-07-31
Release date:2003-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
8BWH
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BU of 8bwh by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 42)
Descriptor: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
Authors:Pennings, M.A.M, Visser, E.J, Ottmann, C.
Deposit date:2022-12-06
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
8BAN
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BU of 8ban by Molmil
Secretagogin (mouse) in complex with its target peptide from SNAP-25
Descriptor: CALCIUM ION, Green fluorescent protein,Synaptosomal-associated protein 25, Secretagogin
Authors:Schnell, R, Szodorai, E.
Deposit date:2022-10-11
Release date:2024-04-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues.
Proc.Natl.Acad.Sci.USA, 121, 2024
7D1V
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BU of 7d1v by Molmil
Hsp90 alpha N-terminal domain in complex with a 6C compund
Descriptor: 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha
Authors:Shin, S.C, Kim, E.E.
Deposit date:2020-09-15
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
7D26
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BU of 7d26 by Molmil
Hsp90 alpha N-terminal domain in complex with a 8 compund
Descriptor: 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha
Authors:Shin, S.C, Kim, E.E.
Deposit date:2020-09-15
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
8BTQ
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BU of 8btq by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd1-soaking)
Descriptor: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
Authors:Pennings, M.A.M, Visser, E.J, Ottmann, C.
Deposit date:2022-11-29
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
6B9J
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BU of 6b9j by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv138
Descriptor: Fab vv138 Heavy chain, Fab vv138 Light chain, GLYCEROL, ...
Authors:Zajonc, D.M.
Deposit date:2017-10-10
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
7D22
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BU of 7d22 by Molmil
Hsp90 alpha N-terminal domain in complex with a 6B compund
Descriptor: 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine, Heat shock protein HSP 90-alpha
Authors:Shin, S.C, Kim, E.E.
Deposit date:2020-09-15
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
8BVX
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BU of 8bvx by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13264
Descriptor: 1,2-ETHANEDIOL, N-glycosylase/DNA lyase, NICKEL (II) ION, ...
Authors:Scaletti, E, Stenmark, P.
Deposit date:2022-12-05
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13264
To Be Published
7D25
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BU of 7d25 by Molmil
Hsp90 alpha N-terminal domain in complex with a 14 compund
Descriptor: 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha
Authors:Shin, S.C, Kim, E.E.
Deposit date:2020-09-15
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
8BWE
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BU of 8bwe by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 43)
Descriptor: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
Authors:Visser, E.J, Pennings, M.A.M, Ottmann, C.
Deposit date:2022-12-06
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
2CE4
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BU of 2ce4 by Molmil
Manganese Superoxide Dismutase (Mn-SOD) from Deinococcus radiodurans
Descriptor: MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN]
Authors:Dennis, R, Micossi, E, McCarthy, J, Moe, E, Gordon, E, Leonard, G, McSweeney, S.
Deposit date:2006-02-03
Release date:2006-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 62, 2006
3J9X
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BU of 3j9x by Molmil
A Virus that Infects a Hyperthermophile Encapsidates A-Form DNA
Descriptor: DNA, coat protein
Authors:DiMaio, F, Yu, X, Rensen, E, Krupovic, M, Prangishvili, D, Egelman, E.
Deposit date:2015-03-21
Release date:2015-06-03
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A virus that infects a hyperthermophile encapsidates A-form DNA.
Science, 348, 2015
8J9Q
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BU of 8j9q by Molmil
Crystal structure of UBR box of UBR4 apo
Descriptor: E3 ubiquitin-protein ligase UBR4, ZINC ION
Authors:Jeong, D.-E, KIm, S.-J, Shin, H.-C.
Deposit date:2023-05-04
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Insights into the recognition mechanism in the UBR box of UBR4 for its specific substrates.
Commun Biol, 6, 2023
8BWA
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BU of 8bwa by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with platinum
Descriptor: PLATINUM (II) ION, Twisted gastrulation protein homolog 1
Authors:Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
Deposit date:2022-12-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
8BWL
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BU of 8bwl by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium
Descriptor: CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1
Authors:Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
Deposit date:2022-12-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
6S00
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BU of 6s00 by Molmil
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-acetylneuraminic acid
Descriptor: GLYCEROL, N-acetyl-beta-neuraminic acid, TETRAETHYLENE GLYCOL, ...
Authors:Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
Deposit date:2019-06-13
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
8BWM
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BU of 8bwm by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4042 eV)
Descriptor: CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1
Authors:Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
Deposit date:2022-12-07
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
5FN7
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BU of 5fn7 by Molmil
Crystal structure of human CD45 extracellular region, domains d1-d2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MERCURY (II) ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C
Authors:Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
Deposit date:2015-11-10
Release date:2016-03-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
8BWN
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BU of 8bwn by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation Factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4010 eV)
Descriptor: CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1
Authors:Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
Deposit date:2022-12-07
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
6S0E
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BU of 6s0e by Molmil
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-Acetyl-2,3-dehydro-2-deoxyneuraminic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, ACETATE ION, ...
Authors:Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
Deposit date:2019-06-14
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019

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PDB entries from 2024-09-25

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