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7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
登録日2021-02-05
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
8GOG
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BU of 8gog by Molmil
Structure of streptavidin mutant (S112Y-K121E) complexed with biotin-cyclopentadienyl-rhodium (III)(Cp*-Rh(III))
分子名称: CHLORIDE ION, GLYCEROL, RHODIUM(III) ION, ...
著者Sairaman, A, Mukherjee, P, Maiti, D, Bhaumik, P.
登録日2022-08-24
公開日2024-02-28
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enantiodivergent synthesis of isoindolones catalysed by a Rh(III)-based artificial metalloenzyme
Nat Synth, 3, 2024
9FTW
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BU of 9ftw by Molmil
Crystal structure of calcium-activated EndoU
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Fribourg, S, Campagne, S.
登録日2024-06-25
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular Basis for the Calcium-Dependent Activation of the Ribonuclease EndoU.
Res Sq, 2024
8TJG
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BU of 8tjg by Molmil
Structure of Nei2 from Mycobacterium smegmatis in complex with Zn2+
分子名称: DNA-(apurinic or apyrimidinic site) lyase, ZINC ION
著者Warren, G, Shuman, S.
登録日2023-07-21
公開日2024-03-06
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and in vivo psoralen DNA crosslink repair activity of mycobacterial Nei2.
Mbio, 15, 2024
8TUA
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BU of 8tua by Molmil
Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein
著者Cash, J.N, Tesmer, J.J.G.
登録日2023-08-15
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Elife, 2024
7Q4W
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BU of 7q4w by Molmil
CryoEM structure of electron bifurcating Fe-Fe hydrogenase HydABC complex A. woodii in the oxidised state
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Kumar, A, Saura, P, Poeverlein, M.C, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M.
登録日2021-11-02
公開日2023-02-15
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
9F18
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BU of 9f18 by Molmil
Crystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen
分子名称: Heavy chain rabbit fab, Light chain rabbit fab
著者Halldorsson, S.
登録日2024-04-18
公開日2024-07-31
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen.
Sci Rep, 14, 2024
9BCM
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BU of 9bcm by Molmil
Crystal structure of the glycosyltransferase UGT95A1
分子名称: Glycosyltransferase
著者Pereira, J.H, Sirirungruang, S, Shih, P.M, Adams, P.D.
登録日2024-04-09
公開日2024-08-07
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural and biochemical basis for regiospecificity of the flavonoid glycosyltransferase UGT95A1.
J.Biol.Chem., 300, 2024
9EM1
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BU of 9em1 by Molmil
Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate
分子名称: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ...
著者Brenner, M, Gohla, A, Schindelin, H.
登録日2024-03-07
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
著者MacPherson, D.J, Sherman, W.
登録日2021-09-08
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
9AZA
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BU of 9aza by Molmil
Crystal structure of LolTv4
分子名称: Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
著者Gao, J, Hai, Y.
登録日2024-03-10
公開日2024-07-17
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024
9AZB
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BU of 9azb by Molmil
Crystal structure of LolTv5
分子名称: Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
著者Gao, J, Hai, Y.
登録日2024-03-11
公開日2024-07-17
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024
2PQM
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BU of 2pqm by Molmil
Crystal structure of Cysteine Synthase (OASS) from Entamoeba histolytica at 1.86 A resolution
分子名称: Cysteine synthase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chinthalapudi, K, Alam, N, Gourinath, S.
登録日2007-05-02
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of native O-acetyl-serine sulfhydrylase from Entamoeba histolytica and its complex with cysteine: structural evidence for cysteine binding and lack of interactions with serine acetyl transferase.
Proteins, 72, 2008
7KXJ
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BU of 7kxj by Molmil
SARS-CoV-2 spike protein in complex with Fab 15033-7, 3-"up", asymmetric
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, ...
著者Li, Z, Rini, J.
登録日2020-12-04
公開日2021-02-03
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
8G9B
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BU of 8g9b by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
著者O'Neill, A.G, Kollman, J.M.
登録日2023-02-21
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
8G8F
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BU of 8g8f by Molmil
Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
著者O'Neill, A.G, Kollman, J.M.
登録日2023-02-17
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
6QX1
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BU of 6qx1 by Molmil
2.7A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA.
分子名称: (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
著者Bax, B.D.
登録日2019-03-06
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.
Bioorg.Med.Chem.Lett., 29, 2019
6QX2
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3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA
分子名称: (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ...
著者Bax, B.D.
登録日2019-03-06
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.
Bioorg.Med.Chem.Lett., 29, 2019
7KXK
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BU of 7kxk by Molmil
SARS-CoV-2 spike protein in complex with Fab 15033-7, 2-"up"-1-"down" conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, ...
著者Li, Z, Rini, J.
登録日2020-12-04
公開日2021-02-03
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
6JIE
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BU of 6jie by Molmil
YaeO bound to Magnesium from Vibrio cholerae O395
分子名称: MAGNESIUM ION, YaeO
著者Pal, K, Yadav, M, Sen, U.
登録日2019-02-20
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Vibrio cholerae YaeO is a Structural Homologue of RNA Chaperone Hfq that Inhibits Rho-dependent Transcription Termination by Dissociating its Hexameric State.
J.Mol.Biol., 431, 2019
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Bothe, S, Schindelin, H.
登録日2021-10-01
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
8EGK
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BU of 8egk by Molmil
Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120
分子名称: AZIDE ION, All4481 protein
著者Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M.
登録日2022-09-12
公開日2023-05-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis.
J.Biol.Chem., 299, 2023
9C6L
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BU of 9c6l by Molmil
Yasminevirus c12orf29, a 5' to 3' RNA ligase
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, RNA ligase1, ...
著者Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R.
登録日2024-06-07
公開日2024-10-02
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation
To Be Published
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2021-09-27
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
8BEW
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BU of 8bew by Molmil
Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Thermoanaerobacter kivui in the oxidised state
分子名称: Electron bifurcating hydrogenase subunit HydA1, Electron bifurcating hydrogenase subunit HydB, Electron bifurcating hydrogenase subunit HydC, ...
著者Kumar, A, Schuller, J.M.
登録日2022-10-22
公開日2023-02-15
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023

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件を2024-10-09に公開中

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