4HDT
 
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4HR3
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3WYI
 | | Structure of S. aureus undecaprenyl diphosphate synthase | | Descriptor: | Isoprenyl transferase, MAGNESIUM ION | | Authors: | Gao, J, Ko, T.P, Huang, C.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2014-08-29 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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3WYJ
 | | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-789 | | Descriptor: | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific), [1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid | | Authors: | Gao, J, Ko, T.P, Huang, C.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2014-08-29 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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4MV0
 | | IspH in complex with pyridin-2-ylmethyl diphosphate | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-2-ylmethyl trihydrogen diphosphate | | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | | Deposit date: | 2013-09-23 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
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8JIY
 | | A carbohydrate binding domain of a putative chondroitinase | | Descriptor: | DUF4955 domain-containing protein | | Authors: | Liu, G.C, Chang, Y.G. | | Deposit date: | 2023-05-29 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and structural characterization of a novel chondroitin sulfate-specific carbohydrate-binding module: The first member of a new family, CBM100.
Int.J.Biol.Macromol., 255, 2024
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8JEU
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8JET
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8JEC
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8F5F
 | | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | | Descriptor: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | | Deposit date: | 2022-11-14 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.149 Å) | | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
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8F5J
 | | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | | Descriptor: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | | Deposit date: | 2022-11-14 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.545 Å) | | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
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8F5S
 | | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | | Descriptor: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | | Deposit date: | 2022-11-15 | | Release date: | 2023-07-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.793 Å) | | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
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7BOK
 | | Cryo-EM structure of the encapsulated DyP-type peroxidase from Mycobacterium smegmatis | | Descriptor: | Dyp-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BOJ
 | | Cryo-EM structure of the encapsulin shell from Mycobacterium smegmatis | | Descriptor: | 29 kDa antigen Cfp29 | | Authors: | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7YR5
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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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8D1O
 | | hBest1_345 Ca2+-bound open state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | | 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 (2.44 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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8D1I
 | | hBest1 1uM Ca2+ (Ca2+-bound) closed state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | | 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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8D1K
 | | hBest1 Ca2+-bound partially open neck state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | | 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 (2.28 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 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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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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8D1L
 | | hBest1 Ca2+-bound partially open aperture state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION, ... | | 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 (2.12 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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8D1J
 | | hBest1 5mM Ca2+ (Ca2+-bound) closed state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | | 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 (2.05 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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8D1M
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