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PDB: 53012 件

7QOM
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A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
分子名称: CHLORIDE ION, COBALT (II) ION, Nitrile hydratase, ...
著者Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T.
登録日2022-03-17
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
To be published
6T2B
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Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+.
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H.
登録日2019-10-08
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Acs Catalysis, 2020
8FFL
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Wildtype rat TRPV2 in nanodiscs bound to RR
分子名称: 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Transient receptor potential cation channel subfamily V member 2
著者Pumroy, R.A, Protopopova, A.D, Rocereta, J.A, De Jesus-Perez, J.J, Fluck, E.C, Moiseenkova-Bell, V.Y.
登録日2022-12-09
公開日2024-02-07
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Molecular details of ruthenium red pore block in TRPV channels.
Embo Rep., 25, 2024
6Q5S
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Crystal structure of a de novo designed antiparallel four-helix coiled coil apCC-Tet
分子名称: apCC-Tet
著者Beesley, J.L, Guto, G.R, Wood, C.W, Brady, R.L, Woolfson, D.N.
登録日2018-12-09
公開日2019-05-22
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
8UZU
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Crystal structure of Shewanella benthica Group 1 truncated hemoglobin L80A C51S C71S variant
分子名称: CYANIDE ION, Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Schultz, T.D, Martinez, J.E, Siegler, M.A, Schlessman, J.L, Lecomte, J.T.J.
登録日2023-11-16
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Shewanella benthica Group 1 truncated hemoglobin L80A C51S C71S variant
To Be Published
8FFN
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RR-bound wildtype rabbit TRPV5 in nanodiscs
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, Transient receptor potential cation channel subfamily V member 5, ...
著者Fluck, E.C, De Jesus-Perez, J.J, Pumroy, R.A, Protopopova, A.D, Rocereta, J.A, Moiseenkova-Bell, V.Y.
登録日2022-12-09
公開日2024-02-07
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Molecular details of ruthenium red pore block in TRPV channels.
Embo Rep., 25, 2024
6WBP
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BU of 6wbp by Molmil
Crystal structure of coiled coil region of human septin 6
分子名称: CITRIC ACID, SULFATE ION, Septin-6
著者Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C.
登録日2020-03-27
公開日2021-03-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Orientational Ambiguity in Septin Coiled Coils and its Structural Basis.
J.Mol.Biol., 433, 2021
7B03
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Cryo-EM structure of the green-light absorbing proteorhodopsin
分子名称: Proteorhodopsin, RETINAL
著者Hirschi, S, Kalbermatter, D, Fotiadis, D.
登録日2020-11-18
公開日2021-06-16
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Cryo-EM structure and dynamics of the green-light absorbing proteorhodopsin
Nature Communications, 12, 2021
6QBS
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The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
分子名称: (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ...
著者Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H.
登録日2018-12-21
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
J. Am. Chem. Soc., 141, 2019
7QAJ
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ZK002 with Anti-angiogenic and Anti-inflamamtory Properties
分子名称: SULFATE ION, Snaclec clone 2100755 alpha, Snaclec clone 2100755 beta
著者Wong, W.Y, Chan, B.D, Muk Lan Lee, M, Dai, X, Tsim, K.W.K, Hsiao, W.L.W, Li, M, Li, X.Y, Tai, W.C.S.
登録日2021-11-17
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Isolation and characterization of ZK002, a novel dual function snake venom protein from Deinagkistrodon acutus with anti-angiogenic and anti-inflammatory properties.
Front Pharmacol, 14, 2023
6GWJ
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BU of 6gwj by Molmil
Human OSGEP / LAGE3 / GON7 complex
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, EKC/KEOPS complex subunit GON7, ...
著者Missoury, S, Liger, D, Durand, D, Collinet, B, Tilbeurgh, V.H.
登録日2018-06-25
公開日2019-07-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Defects in t 6 A tRNA modification due to GON7 and YRDC mutations lead to Galloway-Mowat syndrome.
Nat Commun, 10, 2019
6QG4
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BU of 6qg4 by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine inhibitor 1h
分子名称: 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-10
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
6QHT
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BU of 6qht by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 376 ms
分子名称: Fluoroacetate dehalogenase, fluoroacetic acid
著者Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
登録日2019-01-17
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6QI2
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Time resolved structural analysis of the full turnover of an enzyme - 13536 ms
分子名称: Fluoroacetate dehalogenase, GLYCOLIC ACID
著者Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
登録日2019-01-17
公開日2019-09-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
8FKE
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BU of 8fke by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR32904
To Be Published
7S04
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BU of 7s04 by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii in complex with FR900098, NADPH, and a magnesium ion
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, MAGNESIUM ION, ...
著者Noble, S.M, Ball, H.S, Couch, R.D.
登録日2021-08-28
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Characterization and Inhibition of 1-Deoxy-d-Xylulose 5-Phosphate Reductoisomerase: A Promising Drug Target in Acinetobacter baumannii and Klebsiella pneumoniae .
Acs Infect Dis., 7, 2021
8FKD
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BU of 8fkd by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33068
To Be Published
6QHZ
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BU of 6qhz by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 6788 ms
分子名称: Fluoroacetate dehalogenase, fluoroacetic acid
著者Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
登録日2019-01-17
公開日2019-09-25
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
8FKF
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BU of 8fkf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR36706
To Be Published
8FKC
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BU of 8fkc by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33544
To Be Published
8FKG
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BU of 8fkg by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33486
To Be Published
7BWQ
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BU of 7bwq by Molmil
Structure of nonstructural protein Nsp9 from SARS-CoV-2
分子名称: Nsp9, SULFATE ION
著者Zhang, C, Chen, Y, Li, L, Su, D.
登録日2020-04-15
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.954 Å)
主引用文献Structural basis for the multimerization of nonstructural protein nsp9 from SARS-CoV-2.
Mol Biomed, 1, 2020
7RG1
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Importin alpha2 in complex with MERS ORF4B H26A mutant
分子名称: Importin subunit alpha-1, ORF4b
著者Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K.
登録日2021-07-14
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Importin alpha2 in complex with MERS ORF4B NLS H26A mutant
To Be Published
7RG0
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Importin alpha2 in complex with MERS ORF4B R24A mutant
分子名称: Importin subunit alpha-1, ORF4b
著者Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K.
登録日2021-07-14
公開日2021-07-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
8VHA
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Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate
分子名称: (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
著者Mealka, M, Sohl, C.D, Huxford, T.
登録日2023-12-31
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms.
Nat Commun, 15, 2024

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件を2024-07-31に公開中

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