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8AIP
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Crystal Structure of Two-domain bacterial laccase from the actinobacterium Streptomyces carpinensis VKM Ac-1300
分子名称: COPPER (II) ION, OXYGEN MOLECULE, Two-Domain Laccase
著者Gabdulkhakov, A.G, Tishchenko, T.V, Trubitsina, L, Trubitsin, I, Leontievsky, A, Lisov, A.
登録日2022-07-27
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Novel Two-Domain Laccase with Middle Redox Potential: Physicochemical and Structural Properties.
Biochemistry Mosc., 88, 2023
7KWD
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Crystal structure of Thermus thermophilus alkaline phosphatase
分子名称: Alkaline phosphatase, L(+)-TARTARIC ACID, MAGNESIUM ION, ...
著者Gallo, G, Coelho, C, Borges, B, Negri, N, Maiello, F, Hardy, L, Wurtele, M.
登録日2020-11-30
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dynamic cross correlation analysis of Thermus thermophilus alkaline phosphatase and determinants of thermostability.
Biochim Biophys Acta Gen Subj, 1865, 2021
7R6H
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BU of 7r6h by Molmil
RHCC in complex with o-carborane
分子名称: Tetrabrachion, ortho-carborane
著者Heide, F, McDougall, M, Stetefeld, J.
登録日2021-06-22
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Boron rich nanotube drug carrier system is suited for boron neutron capture therapy.
Sci Rep, 11, 2021
7RCA
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BU of 7rca by Molmil
Crystal structure of Aro2p chorismate synthase from Candida lusitaniae
分子名称: CHLORIDE ION, Chorismate synthase, SULFATE ION
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-07
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of Aro2p chorismate synthase from Candida lusitaniae
To Be Published
7RGE
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Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase from Candida auris, phosphate complex
分子名称: 3'-phosphoadenylylsulfate reductase, GLYCEROL, PHOSPHATE ION
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-15
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase from Candida auris, phosphate complex
To Be Published
7RNV
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BU of 7rnv by Molmil
SH2 domain of guanine nucleotide exchange factor Vav2 in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RNS
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BU of 7rns by Molmil
nSH2 domain of p85-alpha subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
5XC7
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BU of 5xc7 by Molmil
Dengue Virus 4 NS3 Helicase D290A mutant
分子名称: CHLORIDE ION, GLYCEROL, NS3 Helicase
著者Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G.
登録日2017-03-22
公開日2017-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication
Nucleic Acids Res., 45, 2017
5I2U
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BU of 5i2u by Molmil
Crystal structure of a novel Halo-Tolerant Cellulase from Soil Metagenome
分子名称: Cellulase, GLYCEROL, MAGNESIUM ION, ...
著者Garg, R, Brahma, V, Srivastava, R, Verma, L, Karthikeyan, S, Sahni, G.
登録日2016-02-09
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical and structural characterization of a novel halotolerant cellulase from soil metagenome
Sci Rep, 6, 2016
7JM0
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BU of 7jm0 by Molmil
Crystal structure of aminoglycoside resistance enzyme ApmA, apoenzyme
分子名称: Aminocyclitol acetyltransferase ApmA, SULFATE ION
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-30
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure of aminoglycoside resistance enzyme ApmA, apoenzyme
To Be Published
7JUN
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BU of 7jun by Molmil
Joint neutron/X-ray structure of SARS-CoV-2 3CL Mpro at room temperature
分子名称: 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2020-08-20
公開日2020-09-02
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
主引用文献Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography.
J.Biol.Chem., 295, 2020
5XLF
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BU of 5xlf by Molmil
Crystal structure of aerobically purified and aerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
著者Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y.
登録日2017-05-10
公開日2018-06-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2.
J. Inorg. Biochem., 177, 2017
5INP
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BU of 5inp by Molmil
Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Mn2+ complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(P*CP*CP*GP*AP*AP*TP*TP*CP*G)-3'), MANGANESE (II) ION, ...
著者Schellenberg, M.J, Williams, R.S.
登録日2016-03-07
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
7K97
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BU of 7k97 by Molmil
Human DNA polymerase beta dGDP product complex with Mn2+
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Varela, F.A, Freudenthal, B.D.
登録日2020-09-28
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of Deoxyguanosine Diphosphate Insertion by Human DNA Polymerase beta.
Biochemistry, 60, 2021
7K96
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Human DNA polymerase beta ternary complex with templating cytosine and incoming deoxyguanosine diphosphate
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Varela, F.A, Freudenthal, B.D.
登録日2020-09-28
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of Deoxyguanosine Diphosphate Insertion by Human DNA Polymerase beta.
Biochemistry, 60, 2021
7K9Z
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BU of 7k9z by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 298 Fab Heavy Chain, 298 Fab Light Chain, ...
著者Newton, J.C, Kucharska, I, Rujas, E, Cui, H, Julien, J.P.
登録日2020-09-29
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers.
Nat Commun, 12, 2021
7Q3B
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BU of 7q3b by Molmil
Crystal structure of human STING in complex with 3'3'-c-(2'F,2'dA-isonucA)MP
分子名称: 3'3'-c-(2'F,2'dA-isonucA)MP, Stimulator of interferon genes protein
著者Smola, M, Klima, M, Boura, E.
登録日2021-10-27
公開日2022-06-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55733919 Å)
主引用文献Discovery of isonucleotidic CDNs as potent STING agonists with immunomodulatory potential.
Structure, 30, 2022
5XLG
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BU of 5xlg by Molmil
Crystal structure of anaerobically purified and aerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ...
著者Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y.
登録日2017-05-10
公開日2018-06-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2.
J. Inorg. Biochem., 177, 2017
5YJM
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BU of 5yjm by Molmil
Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ...
著者Sugawara, H.
登録日2017-10-11
公開日2017-12-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Bioorg. Med. Chem. Lett., 28, 2018
7RB5
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BU of 7rb5 by Molmil
Room temperature structure of hAChE in complex with substrate analog 4K-TMA
分子名称: 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase
著者Kovalevsky, A, Gerlits, O, Radic, Z.
登録日2021-07-05
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure
Curr Res Struct Biol, 3, 2021
5YOH
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BU of 5yoh by Molmil
Mycobacterium Tuberculosis Methionine aminopeptidase type 1c (C105M mutant) in complex with Methionine
分子名称: COBALT (II) ION, GLYCEROL, METHIONINE, ...
著者Sandeep, C.B, Addlagatta, A.
登録日2017-10-27
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Mycobacterium Tuberculosis Methionine aminopeptidase type 1c (C105M mutant) in complex with Methionine
To Be Published
5HF2
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BU of 5hf2 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with cyclized alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1175)
分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ...
著者Reeve, S.M, Anderson, A.C.
登録日2016-01-06
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Staphylococcus aureus Dihydrofolate Reductase complexed with cyclized alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1175)
To Be Published
5HFS
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BU of 5hfs by Molmil
CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF CARGO PROTEINS OF TYPE IX SECRETION SYSTEM
分子名称: CALCIUM ION, Gingipain R2, ZINC ION
著者Golik, P, Szmigielski, B, Ksiazek, M, Nowakowska, Z, Mizgalska, D, Nowak, M, Dubin, G, Potempa, J.
登録日2016-01-07
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain.
Sci Rep, 6, 2016
7LA9
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BU of 7la9 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 (BRD4-1) in complex with bivalent inhibitor NC-III-49-1
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
著者Karim, M.R, Schonbrunn, E.
登録日2021-01-06
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
5YMR
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BU of 5ymr by Molmil
The Crystal Structure of IseG
分子名称: 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL
著者Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z.
登録日2017-10-22
公開日2019-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria.
Nat Commun, 10, 2019

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件を2024-08-21に公開中

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