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5KSZ
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BU of 5ksz by Molmil
hMiro EF hand and cGTPase domains in the GMPPCP-bound state
分子名称: CHLORIDE ION, MAGNESIUM ION, Mitochondrial Rho GTPase 1, ...
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-10
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
5KTY
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hMiro EF hand and cGTPase domains, GDP and Ca2+ bound state
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-12
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
5L40
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polyketide ketoreductase SimC7 - apo crystal form 1
分子名称: polyketide ketoreductase SimC7
著者Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
登録日2016-05-24
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
5KSP
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hMiro1 C-domain GDP Complex C2221 Crystal Form
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-08
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
5KP9
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BU of 5kp9 by Molmil
Structure of Nanoparticle Released from Enveloped Protein Nanoparticle
分子名称: EPN-01*
著者Votteler, J, Ogohara, C, Yi, S, Hsia, Y, Natterman, U, Belnap, D.M, King, N.P, Sundquist, W.I.
登録日2016-07-02
公開日2016-12-07
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Designed proteins induce the formation of nanocage-containing extracellular vesicles.
Nature, 540, 2016
5L4L
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polyketide ketoreductase SimC7 - ternary complex with NADP+ and 7-oxo-SD8
分子名称: 7-oxo-simocyclinone D8, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
登録日2016-05-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
5KU1
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hMiro1 EF hand and cGTPase domains in the GDP-bound state
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-12
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
5KSO
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BU of 5kso by Molmil
hMiro1 C-domain GDP-Pi Complex P3121 Crystal Form
分子名称: GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1, PHOSPHATE ION
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-08
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
5L3Z
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BU of 5l3z by Molmil
polyketide ketoreductase SimC7 - binary complex with NADP+
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, polyketide ketoreductase SimC7
著者Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
登録日2016-05-24
公開日2016-10-05
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
5L45
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polyketide ketoreductase SimC7 - apo crystal form 2
分子名称: GLYCEROL, SimC7, TETRAETHYLENE GLYCOL
著者Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
登録日2016-05-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
5LGV
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BU of 5lgv by Molmil
GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltooctaose
分子名称: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S.
登録日2016-07-08
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
5LQD
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BU of 5lqd by Molmil
Trehalose-6-phosphate synthase, GDP-glucose-dependent OtsA
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase
著者Miah, F, Asencion Diez, M.D, Stevenson, C.E.M, Lawson, D.M, Iglesias, A.A, Bornemann, S.
登録日2016-08-16
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Production and Utilization of GDP-glucose in the Biosynthesis of Trehalose 6-Phosphate by Streptomyces venezuelae.
J. Biol. Chem., 292, 2017
5LGW
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BU of 5lgw by Molmil
GlgE isoform 1 from Streptomyces coelicolor D394A mutant co-crystallised with maltodextrin
分子名称: 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ...
著者Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S.
登録日2016-07-08
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
5M0T
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BU of 5m0t by Molmil
Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH
分子名称: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH, FE (II) ION, ...
著者Jakubczyk, D, Caputi, L, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
登録日2016-10-05
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of EasH (Aspergillus japonicus) - an oxidase involved in cycloclavine biosynthesis.
Chem. Commun. (Camb.), 52, 2016
5LQF
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BU of 5lqf by Molmil
CDK1/CyclinB1/CKS2 in complex with NU6102
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
著者Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C.
登録日2016-08-17
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
5LZK
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BU of 5lzk by Molmil
Structure of the domain of unknown function DUF1669 from human FAM83B
分子名称: 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B
著者Pinkas, D.M, Bufton, J.C, Williams, E.P, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2016-09-29
公開日2016-10-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.575 Å)
主引用文献Structure of the domain of unknown function DUF1669 from human FAM83B
To Be Published
3QLH
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BU of 3qlh by Molmil
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
分子名称: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
著者Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
登録日2011-02-02
公開日2011-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
7PTF
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BU of 7ptf by Molmil
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ...
著者Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
登録日2021-09-27
公開日2022-10-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7PQM
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Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888
分子名称: 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B
著者Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
登録日2021-09-17
公開日2022-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7PQL
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Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704
分子名称: 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B
著者Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
登録日2021-09-17
公開日2022-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7PTG
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BU of 7ptg by Molmil
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888
分子名称: 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B
著者Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
登録日2021-09-27
公開日2022-10-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7QPO
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BU of 7qpo by Molmil
Crystal structure of human trans-3-Hydroxy-L-proline dehydratase
分子名称: Trans-3-hydroxy-L-proline dehydratase
著者Ferrario, E, Miggiano, R, Rizzi, M, Ferraris, D.M.
登録日2022-01-05
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The integration of AlphaFold-predicted and crystal structures of human trans -3-hydroxy-l-proline dehydratase reveals a regulatory catalytic mechanism.
Comput Struct Biotechnol J, 20, 2022
7QFZ
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BU of 7qfz by Molmil
BrxR, a WYL-domain containing transcriptional regulator
分子名称: SULFATE ION, WYL domain-containing protein
著者Picton, D.M, Blower, T.R.
登録日2021-12-07
公開日2022-05-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A widespread family of WYL-domain transcriptional regulators co-localizes with diverse phage defence systems and islands.
Nucleic Acids Res., 50, 2022
7QYS
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BU of 7qys by Molmil
Crystal structure of RimK from Pseudomonas syringae DC3000
分子名称: ADENOSINE-5'-DIPHOSPHATE, Probable alpha-L-glutamate ligase
著者Thompson, C.M.A, Little, R.H, Stevenson, C.E.M, Lawson, D.M, Malone, J.G.
登録日2022-01-29
公開日2022-10-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into the mechanism of adaptive ribosomal modification by Pseudomonas RimK.
Proteins, 91, 2023
7QYR
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Crystal structure of RimK from Pseudomonas aeruginosa PAO1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Probable alpha-L-glutamate ligase, poly-glutamate
著者Thompson, C.M.A, Little, R.H, Stevenson, C.E.M, Lawson, D.M, Malone, J.G.
登録日2022-01-29
公開日2022-10-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the mechanism of adaptive ribosomal modification by Pseudomonas RimK.
Proteins, 91, 2023

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