8D33
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8D32
| Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to 5-deoxyadenosylrhodibalamin and PPPi | Descriptor: | 5'-DEOXYADENOSINE, Corrinoid adenosyltransferase, MAGNESIUM ION, ... | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | Deposit date: | 2022-05-31 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A noble substitution leads to the cofactor mimicry by rhodibalamin To Be Published
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8D31
| [AG/TC] Self-Assembled 3D DNA Cubic Tensegrity Triangle with 24 bp Arm Length | Descriptor: | DNA (5'-D(*AP*GP*GP*CP*CP*TP*AP*CP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*AP*GP*GP*CP*CP*TP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*TP*CP*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R. | Deposit date: | 2022-05-31 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (7.45 Å) | Cite: | Highly Symmetric, Self-Assembling 3D DNA Crystals with Cubic and Trigonal Lattices. Small, 19, 2023
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8D30
| Crystal structure of the human COPB2 WD-domains | Descriptor: | 1,2-ETHANEDIOL, Coatomer subunit beta' | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-05-31 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human COPB2 WD-domains To Be Published
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8D2Y
| Y430F mutant of D-ornithine/D-lysine decarboxylase | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Phillips, R.S, Nguyen Hoang, K.N. | Deposit date: | 2022-05-31 | Release date: | 2022-11-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site. Arch.Biochem.Biophys., 731, 2022
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8D2J
| A novel insecticidal protein from ferns IPD113_Cow. | Descriptor: | GLYCEROL, IPD113_Cow | Authors: | Maher, M.J. | Deposit date: | 2022-05-30 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel insecticidal proteins from ferns resemble insecticidal proteins from Bacillus thuringiensis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8D29
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8D25
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530 | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-05-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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8D23
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529 | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-05-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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8D1R
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520 | Descriptor: | 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine, GLYCEROL, N-acetyltransferase Eis | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-05-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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8D1N
| bBest2_345 Ca2+-bound open state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.93 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1H
| hBest2 Ca2+-unbound closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.94 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1G
| hBest2 Ca2+-bound open state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.07 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1F
| hBest2 5mM Ca2+ (Ca2+-bound) closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.82 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1E
| hBest2 1uM Ca2+ (Ca2+-bound) closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.78 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1B
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8D19
| Human LanCL1 bound to GSH | Descriptor: | GLUTATHIONE, Glutathione S-transferase LANCL1, ZINC ION | Authors: | Ongpipattanakul, C, Nair, S.K. | Deposit date: | 2022-05-26 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The mechanism of thia-Michael addition catalyzed by LanC enzymes. Proc.Natl.Acad.Sci.USA, 120, 2023
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8D0X
| Human FUT9 bound to LNnT | Descriptor: | 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GLYCEROL, ... | Authors: | Kadirvelraj, R, Wood, Z.A. | Deposit date: | 2022-05-26 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9. Nat.Chem.Biol., 19, 2023
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8D0W
| Human FUT9 bound to H-Type 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GLYCEROL, ... | Authors: | Kadirvelraj, R, Wood, Z.A. | Deposit date: | 2022-05-26 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.332 Å) | Cite: | Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9. Nat.Chem.Biol., 19, 2023
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8D0V
| Human LanCL1 C264A mutant bound to GSH | Descriptor: | GLUTATHIONE, Glutathione S-transferase LANCL1, ZINC ION | Authors: | Ongpipattanakul, C, Nair, S.K. | Deposit date: | 2022-05-26 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The mechanism of thia-Michael addition catalyzed by LanC enzymes. Proc.Natl.Acad.Sci.USA, 120, 2023
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8D0J
| Apo Human SARM1 TIR domain | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Bratkowski, M.A, Mathur, P. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022
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8D0I
| Human SARM1 bound to an NB-3 eADPR adduct | Descriptor: | NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Bratkowski, M.A, Mathur, P. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022
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8D0H
| Human SARM1 TIR domain bound to NB-3-GDPR | Descriptor: | NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Bratkowski, M.A, Mathur, P. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022
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8D0G
| Human SARM1 TIR domain bound to NB-3-ADPRP | Descriptor: | NAD(+) hydrolase SARM1, [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Bratkowski, M.A, Mathur, P. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022
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8D0F
| Human SARM1 TIR domain bound to NB-2-ADPR | Descriptor: | NAD(+) hydrolase SARM1, [[(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-[4-[[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]methyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Bratkowski, M.A, Mathur, P. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022
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