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6O0T
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BU of 6o0t by Molmil
Crystal structure of selenomethionine labelled tandem SAM domains (L446M:L505M:L523M mutant) from human SARM1
Descriptor: Sterile alpha and TIR motif-containing protein 1
Authors:Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
Deposit date:2019-02-17
Release date:2019-09-04
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O1B
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BU of 6o1b by Molmil
Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Sterile alpha and TIR motif-containing protein 1
Authors:Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
Deposit date:2019-02-18
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O0R
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BU of 6o0r by Molmil
Crystal structure of the TIR domain from human SARM1 in complex with glycerol
Descriptor: GLYCEROL, Sterile alpha and TIR motif-containing protein 1
Authors:Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
Deposit date:2019-02-17
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O0U
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BU of 6o0u by Molmil
Crystal structure of the TIR domain H685A mutant from human SARM1
Descriptor: Sterile alpha and TIR motif-containing protein 1
Authors:Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
Deposit date:2019-02-17
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O0Q
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BU of 6o0q by Molmil
Crystal structure of the TIR domain from human SARM1 in complex with ribose
Descriptor: CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1, beta-D-ribofuranose
Authors:Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
Deposit date:2019-02-17
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
7LCY
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BU of 7lcy by Molmil
Crystal structure of the ligand-free ARM domain from Drosophila SARM1
Descriptor: Isoform B of NAD(+) hydrolase sarm1
Authors:Gu, W, Nanson, J.D, Luo, Z, McGuinness, H.Y, Manik, M.K, Jia, X, Ve, T, Kobe, B.
Deposit date:2021-01-12
Release date:2021-03-10
Last modified:2021-04-21
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
7LCZ
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BU of 7lcz by Molmil
Crystal structure of the ARM domain from Drosophila SARM1 in complex with NMN
Descriptor: 1,2-ETHANEDIOL, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Isoform B of NAD(+) hydrolase sarm1, ...
Authors:Gu, W, Nanson, J.D, Luo, Z, Jia, X, Manik, M.K, Ve, T, Kobe, B.
Deposit date:2021-01-12
Release date:2021-03-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
7NAK
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BU of 7nak by Molmil
Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (TIR:1AD)
Descriptor: NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T.
Deposit date:2021-06-21
Release date:2022-03-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
7NAL
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BU of 7nal by Molmil
Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (ARM and SAM domains)
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1
Authors:Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T.
Deposit date:2021-06-21
Release date:2022-03-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
8JZM
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BU of 8jzm by Molmil
The inhibitor of Toll-like receptor signaling o-vanillin binds covalently to MAL/TIRAP Lys-210
Descriptor: Toll/interleukin-1 receptor domain-containing adapter protein
Authors:Rahaman, M.H, Jia, X, Maxwell, M.J, Mobli, M, Kobe, B.
Deposit date:2023-07-05
Release date:2024-05-01
Method:SOLUTION NMR
Cite:o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2.
J Enzyme Inhib Med Chem, 39, 2024
3U0E
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BU of 3u0e by Molmil
Crystal structure of beta-ketoacyl synthase from Brucella melitensis in complex with fragment 9320
Descriptor: 8-methylquinolin-4-amine, Beta-ketoacyl synthase, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-28
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.
Proteins, 88, 2020
3U0F
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BU of 3u0f by Molmil
The structure of Beta-ketoacyl synthase from Brucella melitensis bound to the fragment 7-hydroxycoumarin
Descriptor: 7-hydroxy-2H-chromen-2-one, Beta-ketoacyl synthase, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-28
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.
Proteins, 88, 2020
3LRF
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BU of 3lrf by Molmil
Crystal structure of beta-ketoacyl synthase from brucella melitensis
Descriptor: Beta-ketoacyl synthase, SODIUM ION
Authors:Abendroth, J, Edwards, T, Staker, B, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-02-11
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.
Proteins, 88, 2020
3MQD
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BU of 3mqd by Molmil
Crystal structure of beta-ketoacyl synthase from brucella melitensis with FOL 0758, (1-methyl-1h-indazol-3-yl) methanol
Descriptor: (5-thiophen-2-ylisoxazol-3-yl)methanol, Beta-ketoacyl synthase, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-04-28
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.
Proteins, 88, 2020
6PZN
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BU of 6pzn by Molmil
Putative SDR from Acinetobacter baumannii Crystal Form 2
Descriptor: 3-ketoacyl-ACP reductase
Authors:Cross, E.M, Aragao, D, Forwood, J.K.
Deposit date:2019-08-01
Release date:2019-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of a short-chain dehydrogenase/reductase from multi-drug resistant Acinetobacter baumannii.
Biochem.Biophys.Res.Commun., 518, 2019
6PZM
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BU of 6pzm by Molmil
Putative SDR from Acinetobacter baumannii Crystal Form 1
Descriptor: 3-ketoacyl-ACP reductase
Authors:Cross, E.M, Aragao, D, Forwood, J.K.
Deposit date:2019-08-01
Release date:2019-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of a short-chain dehydrogenase/reductase from multi-drug resistant Acinetobacter baumannii.
Biochem.Biophys.Res.Commun., 518, 2019
6WX7
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BU of 6wx7 by Molmil
SOX2 bound to Importin-alpha 2
Descriptor: Importin subunit alpha-1, Transcription factor SOX-2
Authors:Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N.
Deposit date:2020-05-09
Release date:2020-10-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
6WX8
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BU of 6wx8 by Molmil
SOX2 bound to Importin-alpha 3
Descriptor: Importin subunit alpha-3, SULFATE ION, Transcription factor SOX-2
Authors:Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N.
Deposit date:2020-05-10
Release date:2020-10-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
6WX9
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BU of 6wx9 by Molmil
SOX2 bound to Importin-alpha 5
Descriptor: Importin subunit alpha-5, Transcription factor SOX-2
Authors:Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N.
Deposit date:2020-05-10
Release date:2020-10-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
7UXS
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BU of 7uxs by Molmil
Crystal structure of the BcThsA SLOG domain in complex with 3'cADPR
Descriptor: (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, BcThsA, GLYCEROL, ...
Authors:Shi, Y, Masic, V, Mosaiab, T, Ve, T.
Deposit date:2022-05-06
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
7UXR
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BU of 7uxr by Molmil
Crystal structure of the BtTir TIR domain
Descriptor: TIR domain protein
Authors:Shi, Y, Masic, V, Mosaiab, T, Vasquez, E, Ve, T.
Deposit date:2022-05-06
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
4JV3
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BU of 4jv3 by Molmil
Crystal structure of beta-ketoacyl synthase from Brucella melitensis in complex with platencin
Descriptor: 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, Beta-ketoacyl synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-03-25
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.
Proteins, 88, 2020
7NAI
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BU of 7nai by Molmil
Crystal structure of the TIR domain from human SARM1 in complex with 3AD
Descriptor: Sterile alpha and TIR motif-containing protein 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Shi, Y, Ve, T.
Deposit date:2021-06-21
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
7NAH
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BU of 7nah by Molmil
Crystal structure of the TIR domain from human SARM1 in complex with 2AD
Descriptor: Sterile alpha and TIR motif-containing protein 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{H}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Shi, Y, Ve, T.
Deposit date:2021-06-21
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
7NAJ
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BU of 7naj by Molmil
Crystal structure of the TIR domain from human SARM1 in complex with ara-2'F-ADPR
Descriptor: 1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol, Sterile alpha and TIR motif-containing protein 1
Authors:Shi, Y, Ve, T.
Deposit date:2021-06-21
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022

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