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6CVK
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BU of 6cvk by Molmil
Hepatitis B e-antigen in complex with scFv e13
分子名称: Capsid protein, Single chain variable fragment (scFv) e13
著者Eren, E, Steven, A.C, Wingfield, P.T.
登録日2018-03-28
公開日2018-08-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structures of Hepatitis B Virus Core- and e-Antigen Immune Complexes Suggest Multi-point Inhibition.
Structure, 26, 2018
4UIF
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BU of 4uif by Molmil
Cryo-EM structure of Dengue virus serotype 2 in complex with antigen-binding fragments of human antibody 2D22
分子名称: ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN PVP94 07 - ENVELOPE PROTEIN, ...
著者Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.-N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe Junior, J.E, Lok, S.-M.
登録日2015-03-30
公開日2015-07-15
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers.
Science, 349, 2015
4TZ3
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BU of 4tz3 by Molmil
Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritetraose
分子名称: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose, ...
著者Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
登録日2014-07-09
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
4TZ1
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BU of 4tz1 by Molmil
Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritriose
分子名称: Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
登録日2014-07-09
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
4TZ5
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Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminarihexaose
分子名称: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
著者Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
登録日2014-07-09
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
4UDT
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BU of 4udt by Molmil
T cell receptor (TRAV22,TRBV7-9) structure
分子名称: GLYCEROL, PROTEIN TRBV7-9, T-CELL RECEPTOR BETA-2 CHAIN C REGION, ...
著者Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K.
登録日2014-12-11
公開日2015-06-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of Staphylococcal Enterotoxin E in Complex with Tcr Defines the Role of Tcr Loop Positioning in Superantigen Recognition.
Plos One, 10, 2015
6P9U
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BU of 6p9u by Molmil
Crystal structure of human thrombin mutant W215A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, ZINC ION
著者Pelc, L.A, Koester, S.K, Chen, Z, Di Cera, E.
登録日2019-06-10
公開日2019-09-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin.
Sci Rep, 9, 2019
6NPF
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BU of 6npf by Molmil
Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite.
分子名称: Enolase, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Erlandsen, H, Krucinska, J, Lombardo, M, Wright, D.
登録日2019-01-17
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
8G02
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BU of 8g02 by Molmil
YES Complex - E. coli MraY, Protein E PhiX174, E. coli SlyD
分子名称: Lysis protein E, Peptidyl-prolyl cis-trans isomerase, Phospho-N-acetylmuramoyl-pentapeptide-transferase
著者Orta, A.K, Clemons, W.M, Li, Y.E.
登録日2023-01-31
公開日2023-07-26
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The mechanism of the phage-encoded protein antibiotic from Phi X174.
Science, 381, 2023
6OH7
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BU of 6oh7 by Molmil
Crystal structure of (E)-biformene synthase LrdC from Streptomyces sp. strain K155 in complex with Mg
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Labdane-related diterpene synthase, ...
著者Centeno-Leija, S, Serrano-Posada, H.
登録日2019-04-04
公開日2019-04-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The structure of (E)-biformene synthase provides insights into the biosynthesis of bacterial bicyclic labdane-related diterpenoids.
J.Struct.Biol., 207, 2019
6OH6
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BU of 6oh6 by Molmil
Crystal structure of (E)-biformene synthase LrdC from Streptomyces sp. strain K155 in complex with Mg and PPi
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Labdane-related diterpene synthase, ...
著者Centeno-Leija, S, Serrano-Posada, H.
登録日2019-04-04
公開日2019-04-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The structure of (E)-biformene synthase provides insights into the biosynthesis of bacterial bicyclic labdane-related diterpenoids.
J.Struct.Biol., 207, 2019
6OUL
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BU of 6oul by Molmil
Cryo-EM structure of Escherichia coli RNAP polymerase bound to rpsTP2 promoter DNA
分子名称: CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
登録日2019-05-04
公開日2020-02-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
6P1K
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BU of 6p1k by Molmil
Cryo-EM structure of Escherichia coli sigma70 bound RNAP polymerase holoenzyme
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
登録日2019-05-20
公開日2020-02-26
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
6NUP
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BU of 6nup by Molmil
Structure of thioredoxin (trxA) from Rickettsia prowazekii str. Madrid E.
分子名称: CITRIC ACID, Thioredoxin
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-02-01
公開日2019-02-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of thioredoxin (trxA) from Rickettsia prowazekii str. Madrid E.
to be published
6OH8
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BU of 6oh8 by Molmil
Crystal structure of (E)-biformene synthase LrdC from Streptomyces sp. strain K155 in the dimeric form
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Labdane-related diterpene synthase
著者Centeno-Leija, S, Serrano-Posada, H.
登録日2019-04-04
公開日2019-04-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The structure of (E)-biformene synthase provides insights into the biosynthesis of bacterial bicyclic labdane-related diterpenoids.
J.Struct.Biol., 207, 2019
6XE3
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BU of 6xe3 by Molmil
Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2020-06-11
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
To be Published
6ZZ2
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BU of 6zz2 by Molmil
Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
著者Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H.
登録日2020-08-03
公開日2021-08-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.14885437 Å)
主引用文献Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin
To Be Published
6PNR
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BU of 6pnr by Molmil
A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ
分子名称: Alpha-glucosidase, SULFATE ION, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid
著者Jarva, M.A, Lingford, J.P, John, A, Goddard-Borger, E.D.
登録日2019-07-03
公開日2020-07-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ
To Be Published
7Q9N
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BU of 7q9n by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol
分子名称: 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7QFM
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BU of 7qfm by Molmil
Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
分子名称: 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
7QP5
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BU of 7qp5 by Molmil
Crystal Structure of E. coli FhuF
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ferric iron reductase protein FhuF
著者Trindade, I.B, Rollo, F, Matias, P.M, Moe, E, Louro, R.O.
登録日2022-01-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The structure of a novel ferredoxin: FhuF, a ferric-siderophore reductase from E. coli K-12 with a novel 2Fe-2S cluster coordination
Biorxiv, 2023
4Y4N
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BU of 4y4n by Molmil
Thiazole synthase Thi4 from Methanococcus igneus
分子名称: 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (II) ION, Putative ribose 1,5-bisphosphate isomerase
著者Zhang, X, Ealick, S.E.
登録日2015-02-10
公開日2016-03-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
8BEO
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BU of 8beo by Molmil
Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, ...
著者Shaanan, B, Binshtein, E.
登録日2022-10-21
公開日2023-11-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
Not Published
5HR0
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BU of 5hr0 by Molmil
Crystal structure of thioredoxin E101G mutant
分子名称: COPPER (II) ION, Thioredoxin
著者Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
登録日2016-01-22
公開日2017-02-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
5HR1
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Crystal structure of thioredoxin L107A mutant
分子名称: COPPER (II) ION, Thioredoxin-1
著者Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
登録日2016-01-22
公開日2017-02-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017

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