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5LBF
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BU of 5lbf by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) K293K/G294E variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
Descriptor: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-16
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8995 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
1AAF
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BU of 1aaf by Molmil
NUCLEOCAPSID ZINC FINGERS DETECTED IN RETROVIRUSES: EXAFS STUDIES ON INTACT VIRUSES AND THE SOLUTION-STATE STRUCTURE OF THE NUCLEOCAPSID PROTEIN FROM HIV-1
Descriptor: HIV-1 NUCLEOCAPSID PROTEIN, ZINC ION
Authors:Summers, M.F, Henderson, L.E, Chance, M.R, Bess Junior, J.W, South, T.L, Blake, P.R, Sagi, I, Perez-Alvarado, G, Sowder, R.C, Hare, D.R, Arthur, L.O.
Deposit date:1992-04-06
Release date:1994-01-31
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Nucleocapsid zinc fingers detected in retroviruses: EXAFS studies of intact viruses and the solution-state structure of the nucleocapsid protein from HIV-1.
Protein Sci., 1, 1992
3NHD
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BU of 3nhd by Molmil
GYVLGS segment 127-132 from human prion with V129
Descriptor: ACETIC ACID, Major prion protein
Authors:Apostol, M.I, Eisenberg, D.
Deposit date:2010-06-14
Release date:2010-08-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystallographic studies of prion protein (PrP) segments suggest how structural changes encoded by polymorphism at residue 129 modulate susceptibility to human prion disease.
J.Biol.Chem., 285, 2010
8C8K
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BU of 8c8k by Molmil
In vitro structure of the Nitrosopumilus maritimus S-layer - Six-fold symmetry (C6)
Descriptor: Cell surface protein
Authors:von Kuegelgen, A, Bharat, T.
Deposit date:2023-01-20
Release date:2024-04-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Membraneless channels sieve cations in ammonia-oxidizing marine archaea.
Nature, 630, 2024
6AJ8
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BU of 6aj8 by Molmil
Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADP+, alpha-ketoglutarate and ca2+
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
Authors:Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K.
Deposit date:2018-08-27
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
8C8N
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BU of 8c8n by Molmil
In situ structure of the Nitrosopumilus maritimus S-layer - Two-fold symmetry (C2)
Descriptor: Cell surface protein
Authors:von Kuegelgen, A, Bharat, T.
Deposit date:2023-01-20
Release date:2024-04-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Membraneless channels sieve cations in ammonia-oxidizing marine archaea.
Nature, 630, 2024
8C8M
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BU of 8c8m by Molmil
In vitro structure of the Nitrosopumilus maritimus S-layer - Composite map between two and six-fold symmetrised
Descriptor: Cell surface protein
Authors:von Kuegelgen, A, Bharat, T.
Deposit date:2023-01-20
Release date:2024-04-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Membraneless channels sieve cations in ammonia-oxidizing marine archaea.
Nature, 630, 2024
5LAT
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BU of 5lat by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) P317R variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: BICARBONATE ION, Egl nine homolog 1, GLYCEROL, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
8C8L
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BU of 8c8l by Molmil
In vitro structure of the Nitrosopumilus maritimus S-layer - Two-fold symmetry (C2)
Descriptor: Cell surface protein
Authors:von Kuegelgen, A, Bharat, T.
Deposit date:2023-01-20
Release date:2024-04-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Membraneless channels sieve cations in ammonia-oxidizing marine archaea.
Nature, 630, 2024
7ZQW
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BU of 7zqw by Molmil
Structure of the SARS-CoV-1 main protease in complex with AG7404
Descriptor: 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Authors:Muriel-Goni, S, Fabrega-Ferrer, M, Herrera-Morande, A, Coll, M.
Deposit date:2022-05-03
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
8C8O
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BU of 8c8o by Molmil
In situ structure of the Nitrosopumilus maritimus S-layer - Six-fold symmetry (C6)
Descriptor: Cell surface protein
Authors:von Kuegelgen, A, Bharat, T.
Deposit date:2023-01-20
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Membraneless channels sieve cations in ammonia-oxidizing marine archaea.
Nature, 630, 2024
4PXD
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BU of 4pxd by Molmil
The crystal structure of EcAAH in complex with allantoate
Descriptor: ALLANTOATE ION, Allantoate amidohydrolase, MANGANESE (II) ION
Authors:Shin, I, Rhee, S.
Deposit date:2014-03-23
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the substrate specificity of (s)-ureidoglycolate amidohydrolase and its comparison with allantoate amidohydrolase.
J.Mol.Biol., 426, 2014
5LBW
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BU of 5lbw by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with volitinib
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ...
Authors:Schneider, S, Medard, G, Kuester, B.
Deposit date:2016-06-17
Release date:2017-11-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
7ZQV
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BU of 7zqv by Molmil
Structure of the SARS-CoV-2 main protease in complex with AG7404
Descriptor: 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Authors:Fabrega-Ferrer, M, Herrera-Morande, A, Perez-Saavedra, J, Coll, M.
Deposit date:2022-05-03
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
6ALJ
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BU of 6alj by Molmil
ALDH1A2 liganded with NAD and compound WIN18,446
Descriptor: Aldehyde dehydrogenase 1A2, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-08-08
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
4PZC
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BU of 4pzc by Molmil
Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha
Descriptor: 3-Hydroxyacyl-CoA dehydrogenase
Authors:Kim, J, Chang, J.H, Kim, K.J.
Deposit date:2014-03-29
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure and biochemical properties of the (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 448, 2014
8C1Y
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BU of 8c1y by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 30)
Descriptor: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, [2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Authors:Pennings, M.A.M, Visser, E.J, Ottmann, C.
Deposit date:2022-12-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
4PXC
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BU of 4pxc by Molmil
The crystal structure of AtUAH in complex with (S)-hydroxyglycine
Descriptor: (2S)-amino(hydroxy)ethanoic acid, MANGANESE (II) ION, Ureidoglycolate hydrolase
Authors:Shin, I, Rhee, S.
Deposit date:2014-03-23
Release date:2014-07-23
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Structural insights into the substrate specificity of (s)-ureidoglycolate amidohydrolase and its comparison with allantoate amidohydrolase.
J.Mol.Biol., 426, 2014
6AF9
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BU of 6af9 by Molmil
DJ-1 with isatin bound (high concentration)
Descriptor: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
5LBH
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BU of 5lbh by Molmil
Crystal structure of Helicobacter cinaedi CAIP
Descriptor: CAIP, FE (III) ION
Authors:Zanotti, G, Valesse, F, Codolo, G, De Bernard, M.
Deposit date:2016-06-16
Release date:2017-04-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:The Helicobacter cinaedi antigen CAIP participates in atherosclerotic inflammation by promoting the differentiation of macrophages in foam cells.
Sci Rep, 7, 2017
6ABN
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BU of 6abn by Molmil
Crystal Structure of HEWL at pH 8.6
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Seyedarabi, A, Seraj, Z.
Deposit date:2018-07-22
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15, 2020
8IL4
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BU of 8il4 by Molmil
Crystal structure of alcohol oxidase ParAOX(M59V/Q60P/R61N/F101S/N602H)(Polyporus arcularius)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GMC oxidoreductase
Authors:Wu, B, Wang, Y.
Deposit date:2023-03-01
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.35500073 Å)
Cite:Crystal structure of alcohol oxidase ParAOX(M59V/Q60P/R61N/F101S/N602H)(Polyporus arcularius)
To Be Published
8FDO
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BU of 8fdo by Molmil
SARS-CoV-2 fusion peptide epitope scaffold FP15 bound to DH1058
Descriptor: DH1058 Heavy chain, DH1058 Light chain, FP15
Authors:Kapingidza, A.B, Marston, D.J, Wrapp, D, Winters, K, Azoitei, M.L.
Deposit date:2022-12-04
Release date:2023-10-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
4PZE
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BU of 4pze by Molmil
Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 in complex with acetoacetyl-CoA
Descriptor: 3-Hydroxyacyl-CoA dehydrogenase, ACETOACETYL-COENZYME A
Authors:Kim, J, Chang, J.H, Kim, K.J.
Deposit date:2014-03-29
Release date:2015-04-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure and biochemical properties of the (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 448, 2014
8BZE
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BU of 8bze by Molmil
FC-J stabilizer for ERa and 14-3-3
Descriptor: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol, 14-3-3 protein sigma, ERalpha peptide, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a new potential intervention strategy for endocrine resistance in breast cancer
To Be Published

222624

数据于2024-07-17公开中

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