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3UP2
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BU of 3up2 by Molmil
Aurora A in complex with RPM1686
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-11-17
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3001 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
5YWA
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BU of 5ywa by Molmil
Structure of pancreatic ATP-sensitive potassium channel bound with ATPgammaS (CTD class 2 at 6.1A)
Descriptor: ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Chen, L, Wu, J.X.
Deposit date:2017-11-29
Release date:2018-05-02
Last modified:2018-06-13
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels.
Protein Cell, 9, 2018
5ZAN
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BU of 5zan by Molmil
Crystal Structure of Aurora-A in complex with a new Quinazoline inhibitor
Descriptor: 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine, Aurora kinase A
Authors:Cheng, B, Lu, G, Zhou, H.
Deposit date:2018-02-07
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Optimization of Novel Quinazolines as Potent and Orally Bioavailable Aurora Kinase Inhibitors
To Be Published
8QH5
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BU of 8qh5 by Molmil
CryoEM structure of UVSSA(VHS)-CSA-DDB1-DDA1
Descriptor: DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, DNA excision repair protein ERCC-8, ...
Authors:Lee, S.-H, Sixma, T.K.
Deposit date:2023-09-06
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:CryoEM structure of UVSSA(VHS)-CSA-DDB1-DDA1
To Be Published
4UHQ
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BU of 4uhq by Molmil
Crystal structure of the pyocin AP41 DNase
Descriptor: CITRIC ACID, LARGE COMPONENT OF PYOCIN AP41, NICKEL (II) ION
Authors:Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C.
Deposit date:2015-03-25
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
5AV9
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BU of 5av9 by Molmil
human nucleosome core particle
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Wakamori, M, Fujii, Y, Umehara, T, Yokoyama, S.
Deposit date:2015-06-12
Release date:2015-12-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Intra- and inter-nucleosomal interactions of the histone H4 tail revealed with a human nucleosome core particle with genetically-incorporated H4 tetra-acetylation
Sci Rep, 5, 2015
5Z3U
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BU of 5z3u by Molmil
Structure of Snf2-nucleosome complex at shl2 in ADP BeFx state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ...
Authors:Li, M, Xia, X, Liu, X, Li, X, Chen, Z.
Deposit date:2018-01-08
Release date:2019-05-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:Mechanism of DNA translocation underlying chromatin remodelling by Snf2.
Nature, 567, 2019
8AF7
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BU of 8af7 by Molmil
Room temperature SSX crystal structure of CTX-M-14 (10K dataset)
Descriptor: Beta-lactamase, SULFATE ION
Authors:Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O.
Deposit date:2022-07-15
Release date:2022-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
4UMV
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BU of 4umv by Molmil
CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN THE E2P STATE
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ZINC-TRANSPORTING ATPASE
Authors:Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P.
Deposit date:2014-05-21
Release date:2014-08-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Nature, 514, 2014
5AMO
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BU of 5amo by Molmil
Structure of a mouse Olfactomedin-1 disulfide-linked dimer of the Olfactomedin domain and part of the coiled coil
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Pronker, M.F, Bos, T.G.A.A, Sharp, T.H, Thies-Weesie, D.M, Janssen, B.J.C.
Deposit date:2015-03-11
Release date:2015-04-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Olfactomedin-1 Has a V-Shaped Disulfide-Linked Tetrameric Structure.
J.Biol.Chem., 290, 2015
5AMW
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BU of 5amw by Molmil
Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 2 protein (A141F) processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: Fra a 2 allergen
Authors:Zander, U, Casanal, A, Pott, D, Valpuesta, V, Hoffmann, G, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-02
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
5ANK
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BU of 5ank by Molmil
Crystal structure of CDK2 in complex with 2,4,6-trioxo-1-phenyl- hexahydropyrimidine-5-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
6C0A
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BU of 6c0a by Molmil
Actinin-1 EF-Hand bound to the Cav1.2 IQ Motif
Descriptor: Alpha-actinin-1, Voltage-dependent L-type calcium channel subunit alpha-1C
Authors:Turner, M.L, Ames, J.B.
Deposit date:2017-12-28
Release date:2019-01-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis of the Localization and Activation of Neuronal L-type Ca2+ Channels by a-Actinin1 and Calmodulin
To be Published
8AF8
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BU of 8af8 by Molmil
Room temperature SSX crystal structure of CTX-M-14 (5K dataset)
Descriptor: Beta-lactamase, SULFATE ION
Authors:Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O.
Deposit date:2022-07-15
Release date:2022-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
6MUP
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BU of 6mup by Molmil
CENP-A nucleosome bound by two copies of CENP-C(CD) and two copies CENP-N(NT)
Descriptor: Centromere protein C, Centromere protein N, DNA (147-MER), ...
Authors:Allu, P.K, Black, B.E.
Deposit date:2018-10-23
Release date:2019-07-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the Human Core Centromeric Nucleosome Complex.
Curr.Biol., 29, 2019
4ZDM
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BU of 4zdm by Molmil
Pleurobrachia bachei iGluR3 LBD Glycine Complex
Descriptor: GLYCINE, Glutamate receptor kainate-like protein, SODIUM ION, ...
Authors:Grey, R.J, Mayer, M.L.
Deposit date:2015-04-17
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Glycine activated ion channel subunits encoded by ctenophore glutamate receptor genes.
Proc.Natl.Acad.Sci.USA, 112, 2015
3UO6
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BU of 3uo6 by Molmil
Aurora A in complex with YL5-083
Descriptor: 1,2-ETHANEDIOL, 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8002 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
3UOJ
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BU of 3uoj by Molmil
Aurora A in complex with RPM1715
Descriptor: 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9003 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
5Z1L
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BU of 5z1l by Molmil
Cryo-EM structure of Methanoccus maripaludis archaellum
Descriptor: Flagellin
Authors:Meshcheryakov, V.A, Shibata, S, Schreiber, M.T, Villar-Briones, A, Jarrell, K.F, Aizawa, S, Wolf, M.
Deposit date:2017-12-26
Release date:2019-02-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:High-resolution archaellum structure reveals a conserved metal-binding site.
Embo Rep., 20, 2019
8AO1
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BU of 8ao1 by Molmil
solution structure of nanoFAST fluorogen-activating protein in the apo state
Descriptor: nanoFAST
Authors:Lushpa, V.A, Goncharuk, M.V, Goncharuk, S.A, Baranov, M.S, Mineev, K.S.
Deposit date:2022-08-08
Release date:2022-11-23
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Spatial Structure of NanoFAST in the Apo State and in Complex with its Fluorogen HBR-DOM2.
Int J Mol Sci, 23, 2022
4YZP
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BU of 4yzp by Molmil
Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis
Descriptor: Cellulose hydrolase
Authors:Liberato, M.V, Popov, A, Polikarpov, I.
Deposit date:2015-03-25
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016
8AO0
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BU of 8ao0 by Molmil
Solution structure of nanoFAST/HBR-DOM2 complex
Descriptor: (5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Photoactive yellow protein
Authors:Lushpa, V.A, Goncharuk, M.V, Goncharuk, S.A, Baleeva, N.S, Baranov, M.S, Mineev, K.S.
Deposit date:2022-08-08
Release date:2022-11-23
Method:SOLUTION NMR
Cite:Spatial Structure of NanoFAST in the Apo State and in Complex with its Fluorogen HBR-DOM2.
Int J Mol Sci, 23, 2022
5AV8
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BU of 5av8 by Molmil
human nucleosome core particle
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Wakamori, M, Fujii, Y, Umehara, T, Yokoyama, S.
Deposit date:2015-06-12
Release date:2015-12-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Intra- and inter-nucleosomal interactions of the histone H4 tail revealed with a human nucleosome core particle with genetically-incorporated H4 tetra-acetylation
Sci Rep, 5, 2015
5WF6
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BU of 5wf6 by Molmil
Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera
Authors:White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C.
Deposit date:2017-07-11
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
3WA9
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BU of 3wa9 by Molmil
The nucleosome containing human H2A.Z.1
Descriptor: DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ...
Authors:Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H.
Deposit date:2013-04-30
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2
Acta Crystallogr.,Sect.D, 69, 2013

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