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8FOI
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BU of 8foi by Molmil
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECANE, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2022-12-30
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
9EMV
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BU of 9emv by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-11
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
6OPU
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BU of 6opu by Molmil
HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
6OPY
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BU of 6opy by Molmil
HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
8XOI
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BU of 8xoi by Molmil
Cryo-EM structure of GPR30-Gq complex structure in the presence of fulvestrant
Descriptor: G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, H, Xu, P, Xu, H.E.
Deposit date:2024-01-01
Release date:2024-04-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
8X8N
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BU of 8x8n by Molmil
Cryo-EM structure of the octreotide-bound Somatostatin receptor 5-Gi protein complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha, ...
Authors:Xu, H.E, You, C, Zhao, L, Li, J.
Deposit date:2023-11-27
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of the octreotide-bound Somatostatin receptor 5-Gi protein complex
To Be Published
8FLJ
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BU of 8flj by Molmil
Cas1-Cas2/3 integrase and IHF bound to CRISPR leader, repeat and foreign DNA
Descriptor: CRISPR leader and repeat, anti-sense strand of DNA, CRISPR leader, ...
Authors:Santiago-Frangos, A, Henriques, W.S, Wiegand, T, Gauvin, C, Buyukyoruk, M, Neselu, K, Eng, E.T, Lander, G.C, Wiedenheft, B.
Deposit date:2022-12-21
Release date:2023-09-06
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structure reveals why genome folding is necessary for site-specific integration of foreign DNA into CRISPR arrays.
Nat.Struct.Mol.Biol., 30, 2023
8QCF
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BU of 8qcf by Molmil
yeast cytoplasmic exosome-Ski2 complex degrading a RNA substrate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Antiviral helicase SKI2, Exosome complex component CSL4, ...
Authors:Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E.
Deposit date:2023-08-25
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly.
Mol.Cell, 83, 2023
8X8L
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BU of 8x8l by Molmil
Cryo-EM structure of the cortistatin 17-bound Somatostatin receptor 5-Gi protein complex
Descriptor: Cortistatin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, H.E, You, C, Zhao, L, Li, J.
Deposit date:2023-11-27
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of the cortistatin 17-bound Somatostatin receptor 5-Gi protein complex
To Be Published
7NMB
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BU of 7nmb by Molmil
cytoplasmic domain of Vibrio cholerae ToxR
Descriptor: Cholera toxin transcriptional activator
Authors:Gubensaek, N, Zangger, K, Hartlmueller, C, Madl, T.
Deposit date:2021-02-23
Release date:2021-10-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural and DNA-binding properties of the cytoplasmic domain of Vibrio cholerae transcription factor ToxR.
J.Biol.Chem., 297, 2021
8FIM
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BU of 8fim by Molmil
Structure of APOBEC3A (E72A inactive mutant) in complex with TTC-hairpin DNA substrate
Descriptor: CHLORIDE ION, DNA (5'-D(*TP*GP*CP*GP*CP*TP*TP*CP*GP*CP*GP*CP*T)-3'), DNA dC->dU-editing enzyme APOBEC-3A, ...
Authors:Harjes, S, Jameson, G.B, Harjes, E, Filichev, V.V, Kurup, H.M.
Deposit date:2022-12-16
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells
To Be Published
6S0T
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BU of 6s0t by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide
Descriptor: IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
8A41
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BU of 8a41 by Molmil
Nudaurelia capensis omega virus procapsid at pH7.6 (insect cell expressed VLPs)
Descriptor: p70
Authors:Castells-Graells, R, Hesketh, E.L, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P.
Deposit date:2022-06-10
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (4.88 Å)
Cite:Nudaurelia capensis omega virus maturation intermediate captured at pH5.9 (insect cell expressed VLPs)
To be published
6UQK
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BU of 6uqk by Molmil
Cryo-EM structure of type 3 IP3 receptor revealing presence of a self-binding peptide
Descriptor: ZINC ION, inositol 1,4,5-triphosphate receptor, type 3
Authors:Azumaya, C.M, Linton, E.A, Risener, C.J, Nakagawa, T, Karakas, E.
Deposit date:2019-10-20
Release date:2020-01-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Cryo-EM structure of human type-3 inositol triphosphate receptor reveals the presence of a self-binding peptide that acts as an antagonist.
J.Biol.Chem., 295, 2020
7E1J
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BU of 7e1j by Molmil
Crystal structure of Pr55Gag-matrix domain in complex with IP6 in space group C121
Descriptor: Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
Authors:DeMirci, H, Senda, T, Destan, E.
Deposit date:2021-02-01
Release date:2021-08-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of Pr55Gag-matrix domain in complex with IP6 in space group C121
to be published
6XKE
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BU of 6xke by Molmil
Structure of a mosquito complement inhibitor from Anopheles albimanus
Descriptor: Albicin, BROMIDE ION
Authors:Andersen, J.F, Strayer, E.
Deposit date:2020-06-26
Release date:2021-05-05
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Salivary complement inhibitors from mosquitoes: Structure and mechanism of action.
J.Biol.Chem., 296, 2020
6XL7
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BU of 6xl7 by Molmil
Structure of a mosquito complement inhibitor from Anopheles freeborni
Descriptor: CHLORIDE ION, SG7.AF, SULFATE ION
Authors:Andersen, J.F, Strayer, E.
Deposit date:2020-06-28
Release date:2021-05-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Salivary complement inhibitors from mosquitoes: Structure and mechanism of action.
J.Biol.Chem., 296, 2020
6I8B
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BU of 6i8b by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
Descriptor: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-19
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
8A3C
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BU of 8a3c by Molmil
Nudaurelia capensis omega virus maturation intermediate captured at pH5.9 (insect cell expressed VLPs)
Descriptor: p70
Authors:Castells-Graells, R, Hesketh, E.L, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P.
Deposit date:2022-06-08
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Nudaurelia capensis omega virus maturation intermediate captured at pH5.9 (insect cell expressed VLPs)
To be published
8A6J
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BU of 8a6j by Molmil
Nudaurelia capensis omega virus maturation intermediate captured at pH6.25 (insect cell expressed VLPs)
Descriptor: p70
Authors:Castells-Graells, R, Hesketh, E.L, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P.
Deposit date:2022-06-17
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Decoding virus maturation with cryo-EM structures of intermediates
To be published
1E74
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BU of 1e74 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT R11E
Descriptor: ALPHA-CONOTOXIN IM1(R11E)
Authors:Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C.
Deposit date:2000-08-24
Release date:2000-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist
J.Mol.Biol., 304, 2000
1E76
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BU of 1e76 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT D5N
Descriptor: ALPHA-CONOTOXIN IM1(D5N)
Authors:Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C.
Deposit date:2000-08-24
Release date:2000-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist
J.Mol.Biol., 304, 2000
1E75
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BU of 1e75 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT R7L
Descriptor: ALPHA-CONOTOXIN IM1(R7L)
Authors:Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C.
Deposit date:2000-08-24
Release date:2000-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist
J.Mol.Biol., 304, 2000
1WUT
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BU of 1wut by Molmil
Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes
Descriptor: 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form, ...
Authors:Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.-J, Herling, A.W, Oikonomakos, N.G, Kosmopoulou, M.N, Schmoll, D, Sarubbi, E, von Roedern, E, Schonafinger, K, Defossa, E.
Deposit date:2004-12-08
Release date:2005-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
5IJ0
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BU of 5ij0 by Molmil
Cryo EM density of microtubule assembled from human TUBB3
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ti, S.-C, Pamula, M.C, Howes, S.C, Duellberg, C, Nicholas, C.I, Kleiner, R.E, Forth, S, Surrey, T, Nogales, E, Kapoor, T.M.
Deposit date:2016-03-01
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mutations in Human Tubulin Proximal to the Kinesin-Binding Site Alter Dynamic Instability at Microtubule Plus- and Minus-Ends.
Dev.Cell, 37, 2016

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PDB entries from 2024-07-17

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