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8QUA
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BU of 8qua by Molmil
GTP binding protein YsxC from Staphylococcus aureus
Descriptor: ACETYL GROUP, GLYCEROL, Probable GTP-binding protein EngB
Authors:Biktimirov, A, Islamov, D, Lazarenko, V, Fatkhullin, B, Validov, S, Yusupov, M, Usachev, K.
Deposit date:2023-10-15
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of GTPase YsxC from Staphylococcus aureus.
Biochem.Biophys.Res.Commun., 699, 2024
8C2H
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BU of 8c2h by Molmil
Transmembrane domain of active state homomeric GluA1 AMPA receptor in tandem with TARP gamma 3
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 1 flip isoform, ...
Authors:Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I.
Deposit date:2022-12-22
Release date:2023-08-30
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
8C1P
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BU of 8c1p by Molmil
Active state homomeric GluA1 AMPA receptor in complex with TARP gamma 3
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CYCLOTHIAZIDE, ...
Authors:Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I.
Deposit date:2022-12-21
Release date:2023-08-30
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
8CIJ
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BU of 8cij by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one
Descriptor: 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Musil, D, Toure, M.
Deposit date:2023-02-09
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.821 Å)
Cite:Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
3M2N
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BU of 3m2n by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
Descriptor: 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-03-08
Release date:2011-02-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
8C36
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BU of 8c36 by Molmil
Light-adapted 2.0 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions
Descriptor: COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C2I
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BU of 8c2i by Molmil
Transmembrane domain of resting state homomeric GluA1 AMPA receptor in complex with TARP gamma 3
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 1 flip isoform, ...
Authors:Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I.
Deposit date:2022-12-22
Release date:2023-08-30
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
8C34
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BU of 8c34 by Molmil
Aerobic light exposed 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
Descriptor: COBALAMIN, DI(HYDROXYETHYL)ETHER, Probable transcriptional regulator, ...
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C1S
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BU of 8c1s by Molmil
Transmembrane domain of resting state homomeric GluA2 F231A mutant AMPA receptor in complex with TARP gamma 2
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 2, ...
Authors:Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I.
Deposit date:2022-12-21
Release date:2023-08-30
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
8C1R
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BU of 8c1r by Molmil
Resting state homomeric GluA2 F231A mutant AMPA receptor in complex with TARP gamma-2
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 2, ...
Authors:Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I.
Deposit date:2022-12-21
Release date:2023-08-30
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
7B5G
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BU of 7b5g by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527)
Descriptor: 1,2-ETHANEDIOL, LexA repressor, Nanobody Nb14527, ...
Authors:Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
Deposit date:2020-12-03
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
8C1Q
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BU of 8c1q by Molmil
Resting state homomeric GluA1 AMPA receptor in complex with TARP gamma 3
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 1 flip isoform, ...
Authors:Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I.
Deposit date:2022-12-21
Release date:2023-08-30
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
8C32
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BU of 8c32 by Molmil
Dark state 2.2 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under anaerobic condition
Descriptor: 5'-DEOXYADENOSINE, BROMIDE ION, COBALAMIN, ...
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C35
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BU of 8c35 by Molmil
Dark state 2.1 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C33
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BU of 8c33 by Molmil
Anaerobic light exposed 2.25 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
Descriptor: BROMIDE ION, COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
6ZXJ
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BU of 6zxj by Molmil
Fully-loaded anthrax lethal toxin in its heptameric pre-pore state, in which the third lethal factor is masked out (PA7LF3-masked)
Descriptor: Lethal factor, Protective antigen
Authors:Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S.
Deposit date:2020-07-29
Release date:2020-09-02
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
8CDW
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BU of 8cdw by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 7-(1-methyl-1H-pyrazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinazolin-2-amine
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
Authors:Musil, D, Toure, M.
Deposit date:2023-02-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
6ZY1
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BU of 6zy1 by Molmil
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged in complex with 3-bromo-4-hydroxybenzoic acid
Descriptor: 3 bromo 4 hydroxybenzoic acid, COBALAMIN, IRON/SULFUR CLUSTER, ...
Authors:Leys, D, Halliwell, T.
Deposit date:2020-07-30
Release date:2020-09-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Microorganisms, 8, 2020
8RFE
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BU of 8rfe by Molmil
CgsiGP2 sample in nanodisc
Descriptor: Cyclic beta 1-2 glucan synthetase, URIDINE-5'-DIPHOSPHATE-GLUCOSE, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose
Authors:Sedzicki, J, Ni, D, Lehmann, F, Stahlberg, H, Dehio, C.
Deposit date:2023-12-12
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.
Nat Commun, 15, 2024
8QH7
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BU of 8qh7 by Molmil
Crystal structure of respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide (without reducing agent)
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL PYRIDINE ADENINE DINUCLEOTIDE, ...
Authors:Wohlwend, D, Friedrich, T.
Deposit date:2023-09-06
Release date:2024-04-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I.
Structure, 32, 2024
8QGW
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BU of 8qgw by Molmil
Crystal structure of oxidized respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to oxidized 3-acetylpyridine adenine dinucleotide
Descriptor: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wohlwend, D, Friedrich, T.
Deposit date:2023-09-06
Release date:2024-04-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I.
Structure, 32, 2024
8R8T
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BU of 8r8t by Molmil
Cryo-EM structure of the inward-facing ethanolamine-bound FLVCR1
Descriptor: ETHANOLAMINE, Heme transporter FLVCR1
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-11-29
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
6ZQI
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BU of 6zqi by Molmil
Cryo-EM structure of Spondweni virus prME
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein
Authors:Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
Deposit date:2020-07-09
Release date:2021-01-20
Last modified:2021-08-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
8E8O
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BU of 8e8o by Molmil
Cryo-EM structure of human ME3 in the presence of citrate
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malic enzyme, mitochondrial
Authors:Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J.
Deposit date:2022-08-25
Release date:2023-02-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
8E76
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BU of 8e76 by Molmil
Cryo-EM structure of Apo form ME3
Descriptor: NADP-dependent malic enzyme, mitochondrial
Authors:Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J.
Deposit date:2022-08-23
Release date:2023-02-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022

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