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6G11
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Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikE with the HMA domain of Pikp-1 from rice (Oryza sativa)
分子名称: AVR-Pik protein, Resistance protein Pikp-1
著者De la Concepcion, J.C, Franceschetti, M, Banfield, M.J.
登録日2018-03-20
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Polymorphic residues in rice NLRs expand binding and response to effectors of the blast pathogen.
Nat Plants, 4, 2018
6BMG
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Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)
分子名称: ACETATE ION, CADMIUM ION, Myoglobin, ...
著者Samuel, P.P, Miller, M.D, Xu, W, Alvarado, S, Phillips Jr, G.N, Olson, J.S.
登録日2017-11-14
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)
To Be Published
8TDU
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STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha
分子名称: N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J.
登録日2023-07-05
公開日2023-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
6QLS
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BU of 6qls by Molmil
Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 6
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.047 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
6BMQ
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BU of 6bmq by Molmil
Crystal structure of Arabidopsis Dehydroquinate dehydratase-shikimate dehydrogenase (T381G mutant) in complex with tartrate and shikimate
分子名称: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, Bifunctional 3-dehydroquinate dehydratase/shikimate dehydrogenase, chloroplastic, ...
著者Christendat, D, Peek, J.
登録日2017-11-15
公開日2018-09-26
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.077 Å)
主引用文献Structural and biochemical approaches uncover multiple evolutionary trajectories of plant quinate dehydrogenases.
Plant J., 2018
6QOQ
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Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 20 (6-Aminobenzothiazole)
分子名称: 1,3-benzothiazol-6-amine, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6YWJ
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Arabidopsis aspartate transcarbamoylase mutant F161A complex with UMP
分子名称: GLYCEROL, PYRB, URIDINE-5'-MONOPHOSPHATE
著者Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
登録日2020-04-29
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
8TQ0
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with (R)-Lipoic Acid
分子名称: DIHYDROLIPOIC ACID, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2023-08-06
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of histone deacetylase 6 complexed with (R)-lipoic acid, an essential cofactor in central carbon metabolism.
J.Biol.Chem., 299, 2023
5FM5
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BU of 5fm5 by Molmil
Crystal structure of the myomesin:obscurin-like-1 complex
分子名称: MYOMESIN-1, OBSCURIN-LIKE-1
著者Pernigo, S, Steiner, R.A.
登録日2015-11-01
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Binding of Myomesin to Obscurin-Like-1 at the Muscle M-Band Provides a Strategy for Isoform-Specific Mechanical Protection.
Structure, 25, 2017
6GDN
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Holliday Junctions formed from Telomeric DNA
分子名称: MAGNESIUM ION, Telomere DNA (42-MER)
著者Parkinson, G.N, Haider, S, Li, P, Khiali, S, Munnur, D, Ramanathan, A.
登録日2018-04-24
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Holliday Junctions Formed from Human Telomeric DNA.
J. Am. Chem. Soc., 140, 2018
8TSU
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BU of 8tsu by Molmil
Pseudomonas fluorescens G150T-1 isocyanide hydratase at 274 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-11
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
6QOX
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Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 27 (Methyl 2-(hydroxymethyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate)
分子名称: methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6BN0
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BU of 6bn0 by Molmil
Avirulence protein 4 (Avr4) from Cladosporium fulvum bound to the hexasaccharide of chitin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Race-specific elicitor A4
著者Hurlburt, N.K, Fisher, A.J.
登録日2017-11-15
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of the Cladosporium fulvum Avr4 effector in complex with (GlcNAc)6 reveals the ligand-binding mechanism and uncouples its intrinsic function from recognition by the Cf-4 resistance protein.
PLoS Pathog., 14, 2018
5FQ7
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BU of 5fq7 by Molmil
Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron
分子名称: BT_2261, BT_2262, BT_2263, ...
著者Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B.
登録日2015-12-07
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
8BFH
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BU of 8bfh by Molmil
CNOT11
分子名称: CCR4-NOT transcription complex subunit 11
著者Basquin, J, Ozgur, S, Conti, E.
登録日2022-10-26
公開日2022-12-28
最終更新日2023-02-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The human CNOT1-CNOT10-CNOT11 complex forms a structural platform for protein-protein interactions.
Cell Rep, 42, 2023
6QMJ
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Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
分子名称: (3~{S})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ...
著者Davies, T.G.
登録日2019-02-07
公開日2019-04-24
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6GDR
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BU of 6gdr by Molmil
DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases
分子名称: ADENOSINE MONOPHOSPHATE, DNA, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ...
著者Williamson, A, Grigic, M, Leiros, H.K.S.
登録日2018-04-24
公開日2018-07-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献DNA binding with a minimal scaffold: structure-function analysis of Lig E DNA ligases.
Nucleic Acids Res., 46, 2018
7RFX
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BU of 7rfx by Molmil
Importin alpha2 in complex with MERS ORF4B
分子名称: Importin subunit alpha-1, ORF4b
著者Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K.
登録日2021-07-14
公開日2021-07-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
5VQ9
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Structure of human TRIP13, Apo form
分子名称: Pachytene checkpoint protein 2 homolog
著者Ye, Q, Corbett, K.D.
登録日2017-05-08
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献The AAA+ ATPase TRIP13 remodels HORMA domains through N-terminal engagement and unfolding.
EMBO J., 36, 2017
8TSX
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Pseudomonas fluorescens G150T isocyanide hydratase at 100 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
7RIN
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BU of 7rin by Molmil
Apo PTP1B by Native S-SAD at Room Temperature
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Greisman, J.B, Dalton, K.M, Hekstra, D.R.
登録日2021-07-20
公開日2021-07-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
6QP5
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Apo Human Calcium/Calmodulin-dependent kinase type 1D
分子名称: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION
著者Sorrell, F.J, Knapp, S.
登録日2019-02-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Apo Human Calcium/Calmodulin-dependent kinase type 1D
To Be Published
6G1P
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Apo form of ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae
分子名称: ACETATE ION, ADP-ribosylhydrolase like 2, CITRIC ACID, ...
著者Ariza, A.
登録日2018-03-21
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献(ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition.
Cell Chem Biol, 25, 2018
6BNE
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BU of 6bne by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, phosphate-bound complex
分子名称: ACETATE ION, GLYCEROL, PHOSPHATE ION, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-11-16
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Substrate recognition by a colistin resistance enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 2018
7RFZ
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BU of 7rfz by Molmil
Importin alpha 2 in complex with MERS ORF4B NLS peptide
分子名称: Importin subunit alpha-1, ORF4b
著者Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K.
登録日2021-07-14
公開日2021-07-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022

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