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6PXL
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BU of 6pxl by Molmil
3.74 Angstroms resolution structure of HlsU with an axial-channel plug
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, MAGNESIUM ION, ...
著者Baytshtok, V, Grant, R.A, Sauer, R.T.
登録日2019-07-26
公開日2020-07-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.741 Å)
主引用文献Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug.
Cell Rep, 34, 2021
6KA3
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BU of 6ka3 by Molmil
Crystal structure of a Thebaine synthase from Papaver somniferum
分子名称: PALMITIC ACID, SULFATE ION, Thebaine synthase 2
著者Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-06-20
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structural insights into thebaine synthase 2 catalysis.
Biochem.Biophys.Res.Commun., 529, 2020
3QZ0
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BU of 3qz0 by Molmil
Structure of Treponema denticola Factor H Binding protein (FhbB), selenomethionine derivative
分子名称: Factor H binding protein, GLYCEROL, THIOCYANATE ION
著者Miller, D.P, McDowell, J.V, Heroux, A, Bell, J.K, Marconi, R.T, Conrad, D.H, Burgner, J.W.
登録日2011-03-04
公開日2012-03-07
最終更新日2012-06-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of factor H-binding protein B (FhbB) of the periopathogen, Treponema denticola: insights into progression of periodontal disease.
J.Biol.Chem., 287, 2012
3R15
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BU of 3r15 by Molmil
Structure Treponema Denticola Factor H Binding Protein
分子名称: Factor H binding protein, THIOCYANATE ION
著者Miller, D.P, McDowell, J.V, Burgner, J, Heroux, A, Bell, J.K, Marconi, R.T.
登録日2011-03-09
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Structure Treponema Denticola Factor H Binding Protein
To be Published
4W4S
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BU of 4w4s by Molmil
Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum in complex with BPH-629
分子名称: Uncharacterized protein blr2150, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
著者Liu, W, Zheng, Y, Huang, C.H, Guo, R.T.
登録日2014-08-15
公開日2015-01-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
4W4R
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BU of 4w4r by Molmil
Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum
分子名称: Uncharacterized protein blr2150
著者Liu, W, Zheng, Y, Huang, C.H, Ko, T.P, Guo, R.T.
登録日2014-08-15
公開日2015-01-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
4WOQ
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BU of 4woq by Molmil
Crystal Structures of CdNal from Clostridium difficile in complex with ketobutyric
分子名称: 2-KETOBUTYRIC ACID, N-acetylneuraminate lyase
著者Liu, W.D, Guo, R.T, Cui, Y.F, Chen, X, Wu, Q.Q, Zhu, D.M.
登録日2014-10-16
公開日2015-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of CdNal from Clostridium difficile in complex with ketobutyric
to be published
4WOZ
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BU of 4woz by Molmil
Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine
分子名称: 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, N-acetylneuraminate lyase
著者Liu, W.D, Guo, R.T, Cui, Y.F, Chen, X, Wu, Q.Q, Zhu, D.M.
登録日2014-10-17
公開日2015-10-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine
to be published
6YSE
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BU of 6yse by Molmil
Gp4 from the Pseudomonas phage LUZ24
分子名称: Gp4
著者Bdira, F.B, Volkov, A.N, Dame, R.T.
登録日2020-04-22
公開日2021-05-12
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Novel anti-repression mechanism of H-NS proteins by a phage protein.
Nucleic Acids Res., 49, 2021
8P1I
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BU of 8p1i by Molmil
Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288 efflux pump inhibitor at 2.97 Angstrom resolution
分子名称: 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline, Efflux pump membrane transporter, ...
著者Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S.
登録日2023-05-12
公開日2024-01-17
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Pyridylpiperazine efflux pump inhibitor boosts in vivo antibiotic efficacy against K. pneumoniae.
Embo Mol Med, 16, 2024
7QPB
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BU of 7qpb by Molmil
Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle
分子名称: Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle
著者Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I.
登録日2022-01-03
公開日2023-09-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.342 Å)
主引用文献Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
7SJY
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BU of 7sjy by Molmil
Crystal structure of Clostridium thermocellum RsgI9 S1C-NTF2 bi-domain
分子名称: Anti-sigma-I factor RsgI9, GLYCEROL
著者Mahoney, B.J, Cascio, D, Clubb, R.T.
登録日2021-10-19
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of the Clostridium thermocellum RsgI9 ectodomain provides insight into the mechanism of biomass sensing.
Proteins, 90, 2022
6DN2
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BU of 6dn2 by Molmil
CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1354 SPLIT RNA
分子名称: 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid, MAGNESIUM ION, POTASSIUM ION, ...
著者Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T.
登録日2018-06-05
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
6DN3
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BU of 6dn3 by Molmil
CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1555 SPLIT RNA
分子名称: 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium, CHLORIDE ION, MAGNESIUM ION, ...
著者Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T.
登録日2018-06-05
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
6DKQ
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BU of 6dkq by Molmil
Crystal structure of the Shr Hemoglobin Interacting Domain 2
分子名称: Heme-binding protein Shr, SULFATE ION
著者Macdonald, R, Cascio, D, Collazo, M.J, Clubb, R.T.
登録日2018-05-30
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Streptococcus pyogenes Shr protein captures human hemoglobin using two structurally unique binding domains.
J.Biol.Chem., 293, 2018
6DN1
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BU of 6dn1 by Molmil
CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1151 SPLIT RNA
分子名称: 10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium, MAGNESIUM ION, POTASSIUM ION, ...
著者Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T.
登録日2018-06-05
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
4Z2A
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BU of 4z2a by Molmil
Crystal structure of unglycosylated apo human furin @1.89A
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Furin, ...
著者Gampe, R.T, Pearce, K, Reid, R.
登録日2015-03-29
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献BacMam production and crystal structure of nonglycosylated apo human furin at 1.89A resolution
Acta Crystallogr.,Sect.F, 2019
8S99
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BU of 8s99 by Molmil
Crystal structure of the TYK2 pseudokinase domain in complex with compound 11
分子名称: (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
登録日2023-03-27
公開日2023-07-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
8S9A
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BU of 8s9a by Molmil
Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279
分子名称: (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
登録日2023-03-27
公開日2023-07-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
8S98
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BU of 8s98 by Molmil
Crystal structure of the TYK2 pseudokinase domain in complex with compound 8
分子名称: (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
登録日2023-03-27
公開日2023-07-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
7UIY
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BU of 7uiy by Molmil
ClpAP complex bound to ClpS N-terminal extension, class IIIa
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ATP-dependent Clp protease adapter protein ClpS, ...
著者Kim, S, Fei, X, Sauer, R.T, Baker, T.A.
登録日2022-03-29
公開日2022-10-26
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献AAA+ protease-adaptor structures reveal altered conformations and ring specialization.
Nat.Struct.Mol.Biol., 29, 2022
7UIW
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BU of 7uiw by Molmil
ClpAP complex bound to ClpS N-terminal extension, class IIb
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ATP-dependent Clp protease adapter protein ClpS, ...
著者Kim, S, Fei, X, Sauer, R.T, Baker, T.A.
登録日2022-03-29
公開日2022-11-09
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献AAA+ protease-adaptor structures reveal altered conformations and ring specialization.
Nat.Struct.Mol.Biol., 29, 2022
7UJ0
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BU of 7uj0 by Molmil
ClpAP complex bound to ClpS N-terminal extension, class IIIb
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ATP-dependent Clp protease adapter protein ClpS, ...
著者Kim, S, Fei, X, Sauer, R.T, Baker, T.A.
登録日2022-03-29
公開日2022-11-09
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献AAA+ protease-adaptor structures reveal altered conformations and ring specialization.
Nat.Struct.Mol.Biol., 29, 2022
7UIZ
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BU of 7uiz by Molmil
ClpAP complex bound to ClpS N-terminal extension, class IIc
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ATP-dependent Clp protease adapter protein ClpS, ...
著者Kim, S, Fei, X, Sauer, R.T, Baker, T.A.
登録日2022-03-29
公開日2022-11-09
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献AAA+ protease-adaptor structures reveal altered conformations and ring specialization.
Nat.Struct.Mol.Biol., 29, 2022
7UIX
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BU of 7uix by Molmil
ClpAP complex bound to ClpS N-terminal extension, class I
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ATP-dependent Clp protease adapter protein ClpS, ...
著者Kim, S, Fei, X, Sauer, R.T, Baker, T.A.
登録日2022-03-29
公開日2022-11-09
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献AAA+ protease-adaptor structures reveal altered conformations and ring specialization.
Nat.Struct.Mol.Biol., 29, 2022

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