10RA
 
 | | Human SARM1 TIR domain bound to compound 6 | | 分子名称: | 1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(4S,6P)-6-(5-fluoro-1H-indol-2-yl)imidazo[1,2-a]pyrazin-2-yl]pyridin-1-ium (non-preferred name), Sterile alpha and TIR motif-containing protein 1 | | 著者 | Olland, A.M, Johnson, Z.L, Nomme, J, Ciesielski, F, Ronin, C. | | 登録日 | 2026-02-02 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structure-Based Discovery of Imidazo[4,5- c ]pyridine SARM1 Modulators Showing Paradoxical Activation.
J.Med.Chem., 2026
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10RB
 | | Human SARM1 TIR domain bound to compound 14 | | 分子名称: | 1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-(5-fluoro-1H-indol-2-yl)-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl]pyridin-1-ium (non-preferred name), NAD(+) hydrolase SARM1 | | 著者 | Dementiev, A, Olland, A.M, Johnson, Z.L. | | 登録日 | 2026-02-02 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-Based Discovery of Imidazo[4,5- c ]pyridine SARM1 Modulators Showing Paradoxical Activation.
J.Med.Chem., 2026
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10RC
 | | Human SARM1 TIR domain bound to compound 22 | | 分子名称: | 1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-[6-fluoro-4-(pyrimidin-2-yl)-1H-indol-2-yl]-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl}pyridin-1-ium (non-preferred name), GLYCEROL, NAD(+) hydrolase SARM1 | | 著者 | Dementiev, A, Johnson, Z.L, Olland, A.M. | | 登録日 | 2026-02-02 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Based Discovery of Imidazo[4,5- c ]pyridine SARM1 Modulators Showing Paradoxical Activation.
J.Med.Chem., 2026
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10TV
 | | Tissue Non-specific Alkaline Phosphatase -S110A bound to phosphocreatine | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Krishnan, S.S, Carroll, B.L, Guarne, A. | | 登録日 | 2026-02-09 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Glycerol-driven TNAP activation in thermogenesis and mineralization
Nature, 2026
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10TW
 | | Tissue Non-specific Alkaline Phosphatase -D370G bound to phosphocreatine | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Krishnan, S.S, Carroll, B.L, Guarne, A. | | 登録日 | 2026-02-09 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Glycerol-driven TNAP activation in thermogenesis and mineralization
Nature, 2026
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10TX
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10TY
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10TZ
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11RO
 | | Crystal Structure of SARS-CoV-2 Mpro with UM-005 | | 分子名称: | 3C-like proteinase nsp5, N-(trifluoroacetyl)-D-phenylalanyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | | 著者 | Shaqra, A.M, Adnan, S.F.Z, Lee, L.T, Iyer, V, Jung, K, Intravaia, L.E, Kaur, J, Schiffer, C.A. | | 登録日 | 2026-03-10 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Crystal Structure of SARS-CoV-2 Mpro with UM-005
To Be Published
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11YV
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12AF
 | | Crystal Structure of SARS-CoV-2 Mpro with UM-067 | | 分子名称: | 3C-like proteinase nsp5, GLYCEROL, N-(trifluoroacetyl)-D-phenylalanyl-3-cyclopropyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide, ... | | 著者 | Shaqra, A.M, Adnan, S.F.Z, Lee, L.T, Iyer, V, Jung, K, Intravaia, L.E, Kaur, J, Schiffer, C.A. | | 登録日 | 2026-03-22 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystal Structure of SARS-CoV-2 Mpro with UM-067
To Be Published
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12OB
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12OC
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12PL
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21ZD
 | | Crystal structure of the petrobactin-binding protein FatB from Bacillus cereus in the apo-form | | 分子名称: | Ferric anguibactin-binding protein | | 著者 | Lee, H, Kim, S.O, You, S, Noh, T, Ihee, H. | | 登録日 | 2026-01-04 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Structural basis of FatB-mediated iron uptake via tyrosine/histidine direct coordination accompanying long-distance domain reorganization.
Nat Commun, 2026
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21ZE
 | | Crystal structure of the petrobactin-binding protein FatB from Bacillus cereus complexed with ferric petrobactin | | 分子名称: | 1,2-ETHANEDIOL, 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid, FE (III) ION, ... | | 著者 | Lee, H, Kim, S.O, You, S, Noh, T, Ihee, H. | | 登録日 | 2026-01-04 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structural basis of FatB-mediated iron uptake via tyrosine/histidine direct coordination accompanying long-distance domain reorganization.
Nat Commun, 2026
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21ZF
 | | Crystal structure of the petrobactin-binding protein FatB from Bacillus cereus complexed with ferric petrobactin photoproduct, FePBv | | 分子名称: | FE (III) ION, Ferric anguibactin-binding protein, ~{N}-[3-[4-[[5-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-5-oxidanyl-3-oxidanylidene-pent-4-enoyl]amino]butylamino]propyl]-3,4-bis(oxidanyl)benzamide | | 著者 | Lee, H, Kim, S.O, You, S, Noh, T, Ihee, H. | | 登録日 | 2026-01-04 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural basis of FatB-mediated iron uptake via tyrosine/histidine direct coordination accompanying long-distance domain reorganization.
Nat Commun, 2026
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21ZG
 | | Crystal structure of the petrobactin-binding protein FatB from Bacillus cereus complexed with ferric siderophore mimic, Fe(3,4-DHB)2 | | 分子名称: | 1,2-ETHANEDIOL, 3,4-DIHYDROXYBENZOIC ACID, FE (III) ION, ... | | 著者 | Lee, H, Kim, S.O, You, S, Noh, T, Ihee, H. | | 登録日 | 2026-01-04 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural basis of FatB-mediated iron uptake via tyrosine/histidine direct coordination accompanying long-distance domain reorganization.
Nat Commun, 2026
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22AO
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22AP
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24AH
 | | Crystal structure of nuclease MYG1 bound to Mn2+ | | 分子名称: | MANGANESE (II) ION, MYG1 exonuclease | | 著者 | Ding, J, Lan, C, Chen, Z. | | 登録日 | 2026-02-26 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Biochemical and structural studies reveal the substrate specificity and catalytic mechanism of MYG1 as a two-metal ion-dependent 3'→5' exonuclease.
Acta Biochim.Biophys.Sin., 2026
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24AJ
 | | Crystal structure of nuclease MYG1 bound to Na+ | | 分子名称: | MYG1 exonuclease, SODIUM ION | | 著者 | Ding, J, Lan, C, Chen, Z. | | 登録日 | 2026-02-26 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Biochemical and structural studies reveal the substrate specificity and catalytic mechanism of MYG1 as a two-metal ion-dependent 3'→5' exonuclease.
Acta Biochim.Biophys.Sin., 2026
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24AN
 | | Crystal structure of nuclease MYG1 bound to Mn2+ and AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, MYG1 exonuclease | | 著者 | Ding, J, Lan, C, Chen, Z. | | 登録日 | 2026-02-26 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Biochemical and structural studies reveal the substrate specificity and catalytic mechanism of MYG1 as a two-metal ion-dependent 3'→5' exonuclease.
Acta Biochim.Biophys.Sin., 2026
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24AO
 | | Crystal structure of nuclease MYG1 bound to Mn2+ and GMP | | 分子名称: | GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, MYG1 exonuclease | | 著者 | Ding, J, Lan, C, Chen, Z. | | 登録日 | 2026-02-26 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Biochemical and structural studies reveal the substrate specificity and catalytic mechanism of MYG1 as a two-metal ion-dependent 3'→5' exonuclease.
Acta Biochim.Biophys.Sin., 2026
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24AP
 | | Crystal structure of nuclease MYG1 bound to Mn2+ and UMP | | 分子名称: | MANGANESE (II) ION, MYG1 exonuclease, URIDINE-5'-MONOPHOSPHATE | | 著者 | Ding, J, Lan, C, Chen, Z. | | 登録日 | 2026-02-26 | | 公開日 | 2026-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Biochemical and structural studies reveal the substrate specificity and catalytic mechanism of MYG1 as a two-metal ion-dependent 3'→5' exonuclease.
Acta Biochim.Biophys.Sin., 2026
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