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6G6Q
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BU of 6g6q by Molmil
Crystal structure of the computationally designed Ika4 protein
分子名称: Ika4
著者Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D.
登録日2018-04-01
公開日2018-11-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
7DMR
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BU of 7dmr by Molmil
Crystal structure of potassium induced heme modification in yak lactoperoxidase at 2.20 A resolution
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, CALCIUM ION, ...
著者Singh, P.K, Rani, C, Sharma, P, Sharma, S, Singh, T.P.
登録日2020-12-06
公開日2020-12-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution.
J.Biol.Inorg.Chem., 26, 2021
6VH1
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BU of 6vh1 by Molmil
2.30 A resolution structure of MERS 3CL protease in complex with inhibitor 6h
分子名称: N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein
著者Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-01-09
公開日2020-08-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
7DS7
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BU of 7ds7 by Molmil
The Crystal Structure of Leaf-branch compost cutinase from Biortus.
分子名称: CITRIC ACID, GLYCEROL, IMIDAZOLE, ...
著者Wang, F, Lv, Z, Cheng, W, Lin, D, Chu, F, Xu, X, Tan, J.
登録日2020-12-30
公開日2021-01-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Crystal Structure of Leaf-branch compost cutinase from Biortus.
To Be Published
6G76
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BU of 6g76 by Molmil
Phosphorylated RSK4 N-terminal Kinase Domain in complex with AMP-PNP
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION
著者Prischi, F, Ali, M.M.
登録日2018-04-04
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
5KKH
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BU of 5kkh by Molmil
2.1-Angstrom In situ Mylar structure of bacteriorhodopsin from Haloquadratum walsbyi (HwBR) at 100 K
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin-I, ...
著者Broecker, J, Ernst, O.P.
登録日2016-06-21
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.125 Å)
主引用文献A Versatile System for High-Throughput In Situ X-ray Screening and Data Collection of Soluble and Membrane-Protein Crystals.
Cryst Growth Des, 16, 2016
5HTS
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BU of 5hts by Molmil
Crystal structure of shaft pilin spaA from Lactobacillus rhamnosus GG - D295N mutant
分子名称: Cell surface protein SpaA
著者Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V.
登録日2016-01-27
公開日2016-07-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
6FTW
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BU of 6ftw by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-048
分子名称: 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2018-02-24
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors.
Bioorg.Med.Chem., 27, 2019
5TZB
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BU of 5tzb by Molmil
Burkholderia sp. beta-aminopeptidase
分子名称: CALCIUM ION, D-aminopeptidase
著者McGowan, S, Drinkwater, N, John, M, Dumsday, G.
登録日2016-11-21
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Crystal structure of a beta-aminopeptidase from an Australian Burkholderia sp.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6MPS
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TagT bound to LIIa-WTA
分子名称: 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-mannopyranosyl]-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10Z,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ...
著者Owens, T.W, Schaefer, K, Kahne, D, Walker, S.
登録日2018-10-08
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Substrate Preferences Establish the Order of Cell Wall Assembly in Staphylococcus aureus.
J. Am. Chem. Soc., 140, 2018
5U0C
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BU of 5u0c by Molmil
Structure of Zika virus NS5 RNA polymerase domain
分子名称: NS5 RNA polymerase domain, ZINC ION
著者Zhao, B, Du, F.
登録日2016-11-23
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and function of the Zika virus full-length NS5 protein.
Nat Commun, 8, 2017
6VHU
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BU of 6vhu by Molmil
Klebsiella oxytoca NpsA N-terminal subdomain in space group P21
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ...
著者Kreitler, D.F, Gulick, A.M.
登録日2020-01-10
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
7CY3
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BU of 7cy3 by Molmil
Crystal structure of a biodegradable plastic-degrading cutinase from Paraphoma sp. B47-9.
分子名称: CACODYLIC ACID, Cutinase, SODIUM ION
著者Suzuki, K, Koitabashi, M.
登録日2020-09-03
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Crystal structure of a biodegradable plastic-degrading cutinase from Paraphoma sp. B47-9.
To Be Published
6XPU
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BU of 6xpu by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to IDP
分子名称: INOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
著者Nguyen, S, Bruning, J.B.
登録日2020-07-09
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
5DN5
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BU of 5dn5 by Molmil
Structure of a C-terminally truncated glycoside hydrolase domain from Salmonella typhimurium FlgJ
分子名称: CHLORIDE ION, IODIDE ION, Peptidoglycan hydrolase FlgJ, ...
著者Zaloba, P, Bailey-Elkin, B.A, Mark, B.L.
登録日2015-09-09
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Biochemical Insights into the Peptidoglycan Hydrolase Domain of FlgJ from Salmonella typhimurium.
Plos One, 11, 2016
7CY9
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BU of 7cy9 by Molmil
Crystal structure of a biodegradable plastic-degrading cutinase from Paraphoma sp. B47-9 solved by getting the phase from anomalous scattering of uncovalently coordinated arsenic (cacodylate).
分子名称: CACODYLIC ACID, Cutinase, SODIUM ION
著者Suzuki, K, Koitabashi, M.
登録日2020-09-03
公開日2020-09-30
最終更新日2020-12-16
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structure of a biodegradable plastic-degrading cutinase from Paraphoma sp. B47-9 solved by getting the phase from anomalous scattering of uncovalently coordinated arsenic (cacodylate).
To Be Published
5L7I
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BU of 5l7i by Molmil
Structure of human Smoothened in complex with Vismodegib
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ...
著者Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C.
登録日2016-06-03
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis of Smoothened regulation by its extracellular domains.
Nature, 535, 2016
5HVI
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BU of 5hvi by Molmil
Crystal structure of TEM1 beta-lactamase
分子名称: Beta-lactamase TEM
著者Roose, B.W, Dmochowski, I.J.
登録日2016-01-28
公開日2017-06-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
6XQP
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BU of 6xqp by Molmil
Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, BROMIDE ION, Beta-2-microglobulin, ...
著者Awad, W, Rossjohn, J.
登録日2020-07-10
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
5KMB
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BU of 5kmb by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Trp phosphoramidate substrate complex
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~ {S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
8OMC
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BU of 8omc by Molmil
Y345F/F347Y/Y389F Variant of Dye Type Peroxidase Aa (DtpAa) from Streptomyces lividans
分子名称: Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE
著者Lucic, M, Worrall, J.A.R, Hough, M.A.
登録日2023-03-31
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Y345F/F347Y/Y389F Variant of Dye Type Peroxidase Aa (DtpAa) from Streptomyces lividans
To Be Published
5KMP
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BU of 5kmp by Molmil
The structure of G164E variant of type II NADH dehydrogenase from Caldalkalibacillus thermarum
分子名称: FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
著者Cook, G.M, Aragao, D, Nakatani, Y.
登録日2016-06-27
公開日2017-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
5L8G
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BU of 5l8g by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant H65A
分子名称: CALCIUM ION, Uncharacterized protein
著者He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J.
登録日2016-06-07
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.974 Å)
主引用文献Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
8KI1
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Crystal structure of the holo form of the hemophore HasA from Pseudomonas protegens Pf-5
分子名称: GLYCEROL, Heme acquisition protein HasAp, PHOSPHATE ION, ...
著者Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O.
登録日2023-08-22
公開日2024-03-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom.
Rsc Adv, 14, 2024
6XQQ
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Structure of human D462-E4 TCR
分子名称: GLYCEROL, TRAV12-2 alpha chain, TRBV29-1
著者Awad, W, Rossjohn, J.
登録日2020-07-10
公開日2020-08-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020

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