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3P0P
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BU of 3p0p by Molmil
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
Descriptor: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
3P0Q
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BU of 3p0q by Molmil
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
Descriptor: N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine, SODIUM ION, SULFATE ION, ...
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
3MHJ
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BU of 3mhj by Molmil
Human tankyrase 2 - catalytic PARP domain in complex with 1-methyl-3-(trifluoromethyl)-5h-benzo[c][1,8]naphtyridine-6-one
Descriptor: 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-04-08
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
8GF8
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BU of 8gf8 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and soybean lipids
Descriptor: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
Authors:Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2023-03-07
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
8GF9
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BU of 8gf9 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and POPC:POPE:POPG lipids
Descriptor: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
Authors:Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2023-03-07
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
5EB5
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BU of 5eb5 by Molmil
The crystal structure of almond HNL, PaHNL5 V317A, in complex with benzyl alcohol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, K.
Deposit date:2015-10-17
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of almond hydroxynitrile lyase isoenzyme 5 provide a rationale for the lack of oxidoreductase activity in flavin dependent HNLs.
J.Biotechnol., 235, 2016
8HBS
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BU of 8hbs by Molmil
Crystal of rAlfNmt
Descriptor: Glycylpeptide N-tetradecanoyltransferase
Authors:Wang, Y, Wang, S.
Deposit date:2022-10-30
Release date:2023-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:N -Myristoyltransferase, a Potential Antifungal Candidate Drug-Target for Aspergillus flavus.
Microbiol Spectr, 11, 2023
3OEQ
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BU of 3oeq by Molmil
Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae, with full length n-terminus
Descriptor: Frataxin homolog, mitochondrial
Authors:Soderberg, C.A.G, Rajan, S, Gakh, O, Ta, C, Isaya, G, Al-Karadaghi, S.
Deposit date:2010-08-13
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Oligomerization Propensity and Flexibility of Yeast Frataxin Studied by X-ray Crystallography and Small-Angle X-ray Scattering.
J.Mol.Biol., 414, 2011
3OER
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BU of 3oer by Molmil
Crystal structure of trimeric frataxin from the yeast saccharomyces cerevisiae, complexed with cobalt
Descriptor: COBALT (II) ION, Frataxin homolog, mitochondrial
Authors:Soderberg, C.A.G, Rajan, S, Gakh, O, Ta, C, Isaya, G, Al-Karadaghi, S.
Deposit date:2010-08-13
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Oligomerization Propensity and Flexibility of Yeast Frataxin Studied by X-ray Crystallography and Small-Angle X-ray Scattering.
J.Mol.Biol., 414, 2011
1Z6C
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BU of 1z6c by Molmil
Solution structure of an EGF pair (EGF34) from vitamin K-dependent protein S
Descriptor: CALCIUM ION, Vitamin K-dependent protein S
Authors:Drakenberg, T, Ghasriani, H, Thulin, E, Thamlitz, A.M, Muranyi, A, Annila, A, Stenflo, J.
Deposit date:2005-03-22
Release date:2005-06-21
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution Structure of the Ca(2+)-Binding EGF3-4 Pair from Vitamin K-Dependent Protein S: Identification of an Unusual Fold in EGF3.
Biochemistry, 44, 2005
7QHH
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BU of 7qhh by Molmil
Desensitized state of GluA1/2 AMPA receptor in complex with TARP-gamma 8 (TMD-LBD)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, GLUTAMIC ACID, ...
Authors:Herguedas, B, Kohegyi, B, Dohrke, J.N, Watson, J.F, Zhang, D, Ho, H, Shaikh, S, Lape, R, Krieger, J.M, Greger, I.H.
Deposit date:2021-12-12
Release date:2022-02-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mechanisms underlying TARP modulation of the GluA1/2-gamma 8 AMPA receptor.
Nat Commun, 13, 2022
7QHB
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BU of 7qhb by Molmil
Active state of GluA1/2 in complex with TARP gamma 8, L-glutamate and CTZ
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, CYCLOTHIAZIDE, ...
Authors:Herguedas, B, Kohegyi, B, Zhang, D, Greger, I.H.
Deposit date:2021-12-11
Release date:2022-02-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanisms underlying TARP modulation of the GluA1/2-gamma 8 AMPA receptor.
Nat Commun, 13, 2022
7PGP
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BU of 7pgp by Molmil
The core structure of human neurofibromin isoform 2
Descriptor: Neurofibromin
Authors:Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
Deposit date:2021-08-15
Release date:2022-08-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
7PPR
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BU of 7ppr by Molmil
The structure of UDP-glucose pyrophosphorylase from Aspergillus fumigatus
Descriptor: CHLORIDE ION, SULFATE ION, UTP--glucose-1-phosphate uridylyltransferase
Authors:Morton, S, Raimi, O.G, Yan, K, van Aalten, D.M.F.
Deposit date:2021-09-14
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Genetic and structural validation of UDP-glucose pyrophosphorylase as a novel antifungal target against Aspergillus fumigatus
To Be Published
7PGQ
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BU of 7pgq by Molmil
GAP-SecPH region of human neurofibromin isoform 2 in closed conformation.
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Neurofibromin, ZINC ION
Authors:Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
Deposit date:2021-08-15
Release date:2022-10-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
7RST
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BU of 7rst by Molmil
The Crystal Structure of Recombinant Chloroperoxidase Expressed in Aspergillus niger
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chloroperoxidase, ...
Authors:Tang, X, Venkadesh, S, Zhou, J, Rosen, B, Wang, X.
Deposit date:2021-08-11
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The Crystal Structure of Recombinant Chloroperoxidase Expressed in Aspergillus niger
To Be Published
8GDO
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BU of 8gdo by Molmil
Crystal structure of DH1010 Fab
Descriptor: DH1010 Fab Heavy Chain, DH1010 Fab Light chain
Authors:Lindenberger, J, Acharya, P.
Deposit date:2023-03-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of DH1010 Fab
To Be Published
7R5M
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BU of 7r5m by Molmil
Core-binding domain of fungal E3-binding domain bound to the pyruvate dehydrogenase E2 core
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, Pyruvate dehydrogenase X component
Authors:Forsberg, B.O.
Deposit date:2022-02-11
Release date:2023-01-18
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The structure and evolutionary diversity of the fungal E3-binding protein.
Commun Biol, 6, 2023
5BU9
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BU of 5bu9 by Molmil
Crystal structure of Beta-N-acetylhexosaminidase from Beutenbergia cavernae DSM 12333
Descriptor: Beta-N-acetylhexosaminidase, GLYCEROL
Authors:Chang, C, Tan, K, Li, H, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-06-03
Release date:2015-06-17
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:Crystal structure of Beta-N-acetylhexosaminidase from Beutenbergia cavernae DSM 12333
To Be Published
3MSX
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BU of 3msx by Molmil
Crystal structure of RhoA.GDP.MgF3 in complex with GAP domain of ArhGAP20
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 20, ...
Authors:Utepbergenov, D, Cooper, D.R, Derewenda, U, Derewenda, Z.S.
Deposit date:2010-04-29
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of molecular specificity of RhoGAP domains towards small GTPases of RhoA family.
To be Published
8U1S
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BU of 8u1s by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-393 heavy chain, ...
Authors:Ferguson, J.A, Raghavan, S.S.R, Ward, A.B.
Deposit date:2023-09-02
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
8U1C
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BU of 8u1c by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-400 heavy chain, ...
Authors:Ferguson, J.A, Oeverdieck, S, Ward, A.B.
Deposit date:2023-08-31
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
8U1Q
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BU of 8u1q by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-2D10 heavy chain, ...
Authors:Ferguson, J.A, Oeverdieck, S, Ward, A.B.
Deposit date:2023-09-01
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
6PU1
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BU of 6pu1 by Molmil
Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide
Descriptor: CHLORIDE ION, Gag polyprotein, IODIDE ION, ...
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2019-07-16
Release date:2021-01-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide
To Be Published
7JGX
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BU of 7jgx by Molmil
Solution NMR structure of neuroVAL, a derived peptide from wasp
Descriptor: neuroVAL derived peptide ILE-PHE-TRP-LEU-PHE-ARG-GLY-LYS-ALA-ASP-VAL-ALA-LEU-NH2
Authors:Muller, J.A.I, Craik, D.J, Koehbach, J.
Deposit date:2020-07-20
Release date:2020-12-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Antimicrobial and Anticancer Properties of Synthetic Peptides Derived from the Wasp Parachartergus fraternus.
Chembiochem, 22, 2021

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