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7VCM
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BU of 7vcm by Molmil
crystal structure of GINKO1
Descriptor: Green fluorescent protein,Potassium binding protein Kbp,Green fluorescent protein, POTASSIUM ION
Authors:Wen, Y, Campbell, R.E, Lemieux, M.J.
Deposit date:2021-09-03
Release date:2022-07-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A sensitive and specific genetically-encoded potassium ion biosensor for in vivo applications across the tree of life.
Plos Biol., 20, 2022
7TBL
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BU of 7tbl by Molmil
Composite structure of the human nuclear pore complex (NPC) cytoplasmic face generated with a 12A cryo-ET map of the purified HeLa cell NPC
Descriptor: DDX19, ELYS, GLE1, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-12-22
Release date:2022-06-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (23 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
4XLL
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BU of 4xll by Molmil
Toxoplasma gondii DJ-1, oxidized
Descriptor: DJ-1 family protein
Authors:Child, M.A, Wilson, M.A, Reese, M.L, Bogyo, M.
Deposit date:2015-01-13
Release date:2015-02-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Toxoplasma DJ-1 regulates microneme exocytosis through an association with the plant-like kinase, CDPK1
To Be Published
9HXA
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BU of 9hxa by Molmil
In vitro grown K58N Alpha-Synuclein Fibrils
Descriptor: Alpha-synuclein
Authors:Sicking, K, Al-Azzani, M, Outeiro, T.F, Fernandez-Busnadiego, R.
Deposit date:2025-01-07
Release date:2025-02-12
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A novel alpha-synuclein K58N missense variant in a patient with Parkinson's disease.
Medrxiv, 2025
8CK8
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BU of 8ck8 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-Cyclohexyloxy-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
Descriptor: (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Musil, D.
Deposit date:2023-02-14
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8CK3
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BU of 8ck3 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
Descriptor: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ...
Authors:Musil, D, Lehmannn, M, Diehl, L.
Deposit date:2023-02-14
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
7NH4
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BU of 7nh4 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
7NH5
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BU of 7nh5 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
6FY5
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BU of 6fy5 by Molmil
Crystal structure of the macro domain of human macroh2a2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Core histone macro-H2A.2
Authors:Hothorn, M.
Deposit date:2018-03-10
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:MacroH2A histone variants limit chromatin plasticity through two distinct mechanisms.
EMBO Rep., 19, 2018
4XX4
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BU of 4xx4 by Molmil
Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium
Descriptor: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
9HGR
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BU of 9hgr by Molmil
In vitro grown WT Alpha-Synuclein Fibrils
Descriptor: Alpha-synuclein
Authors:Sicking, K, Al-Azzani, M, Outeiro, T.F, Fernandez-Busnadiego, R.
Deposit date:2024-11-20
Release date:2025-01-29
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A novel alpha-synuclein G14R missense variant is associated with atypical neuropathological features.
Medrxiv, 2024
4XX3
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BU of 4xx3 by Molmil
Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
7OZH
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BU of 7ozh by Molmil
PMCA-amplified alpha-synuclein fibril polymorph, Multiple System Atrophy patient-derived seeds
Descriptor: Alpha-synuclein
Authors:Frieg, B, Geraets, J.A, Schroeder, G.F.
Deposit date:2021-06-28
Release date:2022-07-13
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:alpha-synuclein polymorphism determines oligodendroglial dysfunction
To Be Published
7OZG
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BU of 7ozg by Molmil
PMCA-amplified alpha-synuclein fibril polymorph, Parkinson's Disease patient-derived seeds
Descriptor: Alpha-synuclein
Authors:Frieg, B, Geraets, J.A, Schroeder, G.F.
Deposit date:2021-06-28
Release date:2022-07-13
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:alpha-synuclein polymorphism determines oligodendroglial dysfunction
To Be Published
7TBK
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BU of 7tbk by Molmil
Composite structure of the dilated human nuclear pore complex (NPC) symmetric core generated with a 37A in situ cryo-ET map of CD4+ T cell NPC
Descriptor: NUP107 CTD, NUP107 NTD, NUP133, ...
Authors:Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
Deposit date:2021-12-22
Release date:2022-06-15
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (37 Å)
Cite:Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
7TBI
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BU of 7tbi by Molmil
Composite structure of the S. cerevisiae nuclear pore complex (NPC)
Descriptor: Dyn2, Nic96 R1, Nic96 R2, ...
Authors:Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
Deposit date:2021-12-22
Release date:2022-06-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (25 Å)
Cite:Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
2QMO
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BU of 2qmo by Molmil
Crystal structure of dethiobiotin synthetase (bioD) from Helicobacter pylori
Descriptor: CHLORIDE ION, Dethiobiotin synthetase
Authors:Chruszcz, M, Xu, X, Cuff, M, Cymborowski, M, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-07-16
Release date:2007-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
7JU8
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BU of 7ju8 by Molmil
X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
Descriptor: 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A.
Deposit date:2020-08-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
6ZH0
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BU of 6zh0 by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2022-06-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
5A0G
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BU of 5a0g by Molmil
N-terminal thioester domain of surface protein from Clostridium perfringens
Descriptor: SURFACE ANCHORED PROTEIN
Authors:Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J.
Deposit date:2015-04-20
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015
1DMJ
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BU of 1dmj by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE
Descriptor: 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE, ACETATE ION, CACODYLATE ION, ...
Authors:Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H.
Deposit date:1999-12-14
Release date:2000-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
5A0D
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BU of 5a0d by Molmil
N-terminal thioester domain of surface protein from Clostridium perfringens, Cys138Ala mutant
Descriptor: 1,2-ETHANEDIOL, SURFACE ANCHORED PROTEIN
Authors:Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J.
Deposit date:2015-04-17
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015
4PNJ
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BU of 4pnj by Molmil
Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Cohen, A, Gonzalez, A, Lam, W, Lyubimov, A, Sauter, N, Tsai, Y, Uervirojnangkoorn, M, Brunger, A, Soltis, M.
Deposit date:2014-05-23
Release date:2014-11-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Goniometer-based femtosecond crystallography with X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 111, 2014
5A0L
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BU of 5a0l by Molmil
N-terminal thioester domain of fibronectin-binding protein SfbI from Streptococcus pyogenes
Descriptor: ACETATE ION, FIBRONECTIN-BINDING PROTEIN, ZINC ION
Authors:Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J.
Deposit date:2015-04-21
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015
5A0N
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BU of 5a0n by Molmil
N-terminal thioester domain of protein F2 like fibronectin-binding protein from Streptococcus pneumoniae
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PROTEIN F2 LIKE FIBRONECTIN-BINDING PROTEIN
Authors:Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J.
Deposit date:2015-04-21
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015

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