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8UW3
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Human LINE-1 retrotransposon ORF2 protein engaged with template RNA in elongation state
分子名称: Complementary DNA, LINE-1 retrotransposable element ORF2 protein, THYMIDINE-5'-TRIPHOSPHATE, ...
著者Thawani, A, Florez Ariza, A.J, Collins, K, Nogales, E.
登録日2023-11-06
公開日2023-12-20
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Template and target-site recognition by human LINE-1 in retrotransposition.
Nature, 626, 2024
8PYX
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Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with Adenosine
分子名称: ADENOSINE, Fatty-acyl-CoA synthase, SULFATE ION
著者Tang, Q, Grogan, G.
登録日2023-07-26
公開日2024-02-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PPP
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Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with AMP-CPP
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Fatty-acyl-CoA synthase
著者Tang, Q, Grogan, G.
登録日2023-07-07
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PYY
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Amide bond synthetase from Streptomyces hindustanus in open conformation
分子名称: Fatty-acyl-CoA synthase, SULFATE ION
著者Tang, Q, Grogan, G.
登録日2023-07-26
公開日2024-02-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
7S7I
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Crystal structure of Fab in complex with MICA alpha3 domain
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, ...
著者Lee, P.S, Strop, P.
登録日2021-09-16
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Residue-Level Characterization of Antibody Binding Epitopes Using Carbene Chemical Footprinting.
Anal.Chem., 95, 2023
2MQ8
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Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414
分子名称: De novo designed protein LFR1
著者Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2014-06-12
公開日2014-08-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Control over overall shape and size in de novo designed proteins.
Proc.Natl.Acad.Sci.USA, 112, 2015
7QUL
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Alcohol Dehydrogenase from Thauera aromatica K319A/K320A mutant
分子名称: 1,2-ETHANEDIOL, 6-hydroxycyclohex-1-ene-1-carbonyl-CoA dehydrogenase, ZINC ION
著者Petchey, M.L, Stark, F, Ansorge-Schumacher, M, Grogan, G.
登録日2022-01-18
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Advanced Insights into Catalytic and Structural Features of the Zinc-Dependent Alcohol Dehydrogenase from Thauera aromatica.
Chembiochem, 23, 2022
7QUY
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Alcohol Dehydrogenase from Thauera aromatica complexed with NADH
分子名称: 6-hydroxycyclohex-1-ene-1-carbonyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Petchey, M.L, Stark, F, Ansorge-Schumacher, M, Grogan, G.
登録日2022-01-19
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Advanced Insights into Catalytic and Structural Features of the Zinc-Dependent Alcohol Dehydrogenase from Thauera aromatica.
Chembiochem, 23, 2022
7QZN
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Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NAD+
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amine Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G.
登録日2022-01-31
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022)
Chemcatchem, 14, 2022
7QZL
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Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NADP+ and pentylamine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMYLAMINE, Amine Dehydrogenase, ...
著者Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G.
登録日2022-01-31
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022)
Chemcatchem, 14, 2022
7R09
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Amine Dehydrogenase MATOUAmDH2 in complex with NADP+ and Cyclohexylamine
分子名称: Amine Dehydrogenase, CYCLOHEXYLAMMONIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G.
登録日2022-02-01
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure and Mutation of the Native Amine Dehydrogenase MATOUAmDH2.
Chembiochem, 23, 2022
7KBQ
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Solution NMR Structure of DE NOVO DESIGNED Rossmann 3x3 Fold Protein r3x3_bp3, Northeast Structural Genomics Consortium (NESG) Target OR689
分子名称: DE NOVO DESIGNED OR689
著者Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2020-10-02
公開日2021-05-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
3MCH
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BU of 3mch by Molmil
Crystal structure of the molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus theromophilus HB8
分子名称: 1,2-ETHANEDIOL, Molybdopterin biosynthesis enzyme, MoaB
著者Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-03-29
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms
Acta Crystallogr.,Sect.F, 67, 2011
1V5X
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Crystal structure of Phosphoribosyl anthranilate isomerase from Thermus Thermophilus
分子名称: Phosphoribosylanthranilate isomerase
著者Taka, J, Kunishima, N, Yutani, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-11-26
公開日2003-12-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Stabilization due to dimer formation of phosphoribosyl anthranilate isomerase from Thermus thermophilus HB8: X-ray Analysis and DSC experiments.
J.Biochem.(Tokyo), 137, 2005
8FZ8
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BU of 8fz8 by Molmil
Structure of cytochrome P450sky2
分子名称: Cytochrome P450, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE
著者Murarka, V.C, Poulos, T.L.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Biosynthesis of a new skyllamycin in Streptomyces nodosus : a cytochrome P450 forms an epoxide in the cinnamoyl chain.
Org.Biomol.Chem., 22, 2024
4USR
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BU of 4usr by Molmil
Structure of flavin-containing monooxygenase from Pseudomonas stutzeri NF13
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MONOOXYGENASE
著者Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G.
登録日2014-07-11
公開日2014-10-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Exploring Nicotinamide Cofactor Promiscuity in Nad(P)H-Dependent Flavin Containing Monooxygenases (Fmos) Using Natural Variation within the Phosphate Binding Loop. Structure and Activity of Fmos from Cellvibrio Sp. Br and Pseudomonas Stutzeri NF13
J.Mol.Catal., 109, 2014
6FL8
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Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP
分子名称: 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-01-25
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
8GUJ
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Bre1-nucleosome complex (Model II)
分子名称: DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
著者Onishi, S, Sato, K, Hamada, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T.
登録日2022-09-12
公開日2023-09-20
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
8GUK
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Human nucleosome core particle (free form)
分子名称: DNA (147-mer), Histone H2A type 1, Histone H2B type 1-J, ...
著者Onishi, S, Sato, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T.
登録日2022-09-12
公開日2023-09-20
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
8GUI
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Bre1-nucleosome complex (Model I)
分子名称: DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
著者Onishi, S, Hamada, K, Sato, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T.
登録日2022-09-12
公開日2023-09-20
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
6FP5
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Crystal structure of ZAD-domain of CG2712 protein from D.melanogaster
分子名称: CG2712, GLYCEROL, ZINC ION
著者Boyko, K.M, Nikolaeva, A.Y, Bonchuk, A.N, Kachalova, G.S, Georgiev, P.G, Popov, V.O.
登録日2018-02-09
公開日2019-08-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of diversity and homodimerization specificity of zinc-finger-associated domains in Drosophila.
Nucleic Acids Res., 49, 2021
6OGP
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X-ray crystal structure of wild type HIV-1 protease in complex with GRL-063
分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, 1,2-ETHANEDIOL, Protease
著者Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
登録日2019-04-03
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
6OGT
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X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-001
分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
登録日2019-04-03
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
6OGL
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X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-003
分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
登録日2019-04-02
公開日2020-04-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
6OGV
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X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in apo state
分子名称: Protease
著者Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
登録日2019-04-03
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Novel HIV-1 protease inhibitors, GRL-142 and its analogs, markedly adapt to the structural plasticity of HIV-1 protease and exerts extreme potency with high genetic barrier
To Be Published

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件を2024-07-17に公開中

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