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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
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
4ZGQ
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BU of 4zgq by Molmil
Structure of Cdc123 bound to eIF2-gammaDIII domain
Descriptor: Cell division cycle protein 123, Eukaryotic translation initiation factor 2 subunit gamma
Authors:Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E.
Deposit date:2015-04-23
Release date:2015-10-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features.
Structure, 23, 2015
6DZ7
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BU of 6dz7 by Molmil
afTMEM16 reconstituted in nanodiscs in the absence of Ca2+
Descriptor: Plasma membrane channel protein (Aqy1), putative
Authors:Falzone, M.E, Accardi, A.
Deposit date:2018-07-03
Release date:2019-02-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Structural basis of Ca2+-dependent activation and lipid transport by a TMEM16 scramblase.
Elife, 8, 2019
2BIJ
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BU of 2bij by Molmil
Crystal structure of the human protein tyrosine phosphatase PTPN5 (STEP, striatum enriched enriched Phosphatase)
Descriptor: SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, NON-RECEPTOR TYPE 5
Authors:Barr, A.J, Debreczeni, J.E, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, Sundstrom, M, Arrowsmith, C, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2005-01-21
Release date:2005-03-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.
Biochem. J., 395, 2006
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
2R94
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BU of 2r94 by Molmil
Crystal Structure of KD(P)GA from T.tenax
Descriptor: 2-Keto-3-deoxy-(6-phospho-)gluconate aldolase, PYRUVIC ACID
Authors:Pauluhn, A, Pohl, E.
Deposit date:2007-09-12
Release date:2008-03-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and stereochemical studies of KD(P)G aldolase from Thermoproteus tenax.
Proteins, 72, 2008
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
6TYX
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BU of 6tyx by Molmil
Structure of Ku80 von Willebrand domain S229A mutant complexed with XLF Ku Binding Motif
Descriptor: LYS-GLY-LEU-PHE-MET, X-ray repair cross-complementing protein 5
Authors:Min, J, Pedersen, L.C.
Deposit date:2019-08-09
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89944351 Å)
Cite:Ligand binding characteristics of the Ku80 von Willebrand domain.
DNA Repair (Amst.), 85, 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
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
4OPR
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BU of 4opr by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation
Descriptor: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ...
Authors:Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
Deposit date:2014-02-06
Release date:2015-05-20
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
4OQ0
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BU of 4oq0 by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutation in complex with boron-based inhibitor EC25
Descriptor: 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, CALCIUM ION, ...
Authors:Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
Deposit date:2014-02-07
Release date:2015-05-20
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
4G4E
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BU of 4g4e by Molmil
Crystal structure of the L88A mutant of HslV from Escherichia coli
Descriptor: ATP-dependent protease subunit HslV
Authors:Lee, J.W, Park, E, Yoo, H.M, Ha, B.H, An, J.Y, Jeon, Y.J, Seol, J.H, Eom, S.H, Chung, C.H.
Deposit date:2012-07-16
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.888 Å)
Cite:Structural Alteration in the Pore Motif of the Bacterial 20S Proteasome Homolog HslV Leads to Uncontrolled Protein Degradation
J.Mol.Biol., 425, 2013
6I4I
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BU of 6i4i by Molmil
Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-K-ADP-AlFn state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Actin-1, ...
Authors:Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
Deposit date:2018-11-09
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
6E0F
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BU of 6e0f by Molmil
Mitochondrial peroxiredoxin from Leishmania infantum in complex with unfolding client protein after heat stress
Descriptor: mitochondrial 2-cys-peroxiredoxin
Authors:Teixeira, F, Tse, E, Makepeace, K.A.T, Borchers, C.H, Castro, H, Tomas, A.M, Poole, L.B, Southworth, D.R, Jakob, U.
Deposit date:2018-07-06
Release date:2019-02-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Chaperone activation and client binding of a 2-cysteine peroxiredoxin.
Nat Commun, 10, 2019
3V92
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BU of 3v92 by Molmil
S663A Stable-5-LOX
Descriptor: Arachidonate 5-lipoxygenase, FE (II) ION
Authors:Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663.
Faseb J., 26, 2012
4G8J
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BU of 4g8j by Molmil
X-ray Structure of Uridine Phosphorylease from Vibrio cholerae Complexed with Thymidine at 2.12 A Resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Lashkov, A.A, Gabdoulkhakov, A.G, Prokofev, I.I, Sotnichenko, S.E, Betzel, C, Mikhailov, A.M.
Deposit date:2012-07-23
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.119 Å)
Cite:X-ray structure of uridine phosphorylease from Vibrio cholerae complexed with thymidine
To be Published
6I6G
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BU of 6i6g by Molmil
Dehaloperoxidase B from Amphitrite ornata - complex with 5-bromoindole
Descriptor: 5-bromanyl-1~{H}-indole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H.
Deposit date:2018-11-15
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
8CO4
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BU of 8co4 by Molmil
Crystal structure of apo S-nitrosoglutathione reductase from Arabidopsis thalina
Descriptor: 1,2-ETHANEDIOL, Alcohol dehydrogenase class-3, DI(HYDROXYETHYL)ETHER, ...
Authors:Fermani, S, Fanti, S, Carloni, G, Rossi, J, Falini, G, Zaffagnini, M.
Deposit date:2023-02-27
Release date:2024-02-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity.
Plant J., 118, 2024
5R4Y
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BU of 5r4y by Molmil
XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13612a
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
Authors:Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2020-02-28
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:XChem fragment screen
To Be Published
1IJN
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BU of 1ijn by Molmil
Crystal structure of the transthyretin mutant TTR C10A/Y114C
Descriptor: BETA-MERCAPTOETHANOL, TRANSTHYRETIN
Authors:Eneqvist, T, Karlsson, A, Olofsson, A, Sauer-Eriksson, A.E.
Deposit date:2001-04-27
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cys114-linked dimers of transthyretin are compatible with amyloid formation
Biochemistry, 44, 2005
2BV5
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BU of 2bv5 by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 AT 1.8A RESOLUTION
Descriptor: GLYCEROL, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, ...
Authors:Debreczeni, J.E, Barr, A.J, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2005-06-22
Release date:2005-07-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.
Biochem. J., 395, 2006
8BZO
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BU of 8bzo by Molmil
Cryo-EM structure of CDK2-CyclinA in complex with p27 from the SCFSKP2 E3 ligase Complex
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B
Authors:Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.
Deposit date:2022-12-15
Release date:2023-06-28
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
8C7O
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BU of 8c7o by Molmil
Unliganded transcriptional pleiotropic repressor CodY from Staphylococcus aureus
Descriptor: ACETATE ION, Global transcriptional regulator CodY, SULFATE ION
Authors:Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2023-01-16
Release date:2023-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into CodY activation and DNA recognition.
Nucleic Acids Res., 51, 2023

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PDB entries from 2024-08-21

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