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1HO7
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NMR STRUCTURE OF THE POTASSIUM CHANNEL FRAGMENT L45 IN TFE
Descriptor: VOLTAGE-GATED POTASSIUM CHANNEL PROTEIN
Authors:Ohlenschlager, O, Hojo, H, Ramachandran, R, Gorlach, M, Haris, P.I.
Deposit date:2000-12-10
Release date:2002-06-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional structure of the S4-S5 segment of the Shaker potassium channel.
Biophys.J., 82, 2002
1HJE
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BU of 1hje by Molmil
Crystal structure of alpha-conotoxin SI
Descriptor: ALPHA-CONOTOXIN SI
Authors:Janes, R.W, Hargittai, B, Barany, G, Maclean, E.J, Teat, S.J.
Deposit date:2001-01-15
Release date:2003-06-26
Last modified:2011-12-07
Method:X-RAY DIFFRACTION (0.75 Å)
Cite:The High Resolution Crystal Structure of Alpha-Conotoxin Si to 0.75 Angstroms
To be Published
1HSO
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HUMAN ALPHA ALCOHOL DEHYDROGENASE (ADH1A)
Descriptor: 4-IODOPYRAZOLE, CLASS I ALCOHOL DEHYDROGENASE 1, ALPHA SUBUNIT, ...
Authors:Niederhut, M.S, Gibbons, B.J, Perez-Miller, S, Hurley, T.D.
Deposit date:2000-12-27
Release date:2001-01-10
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structures of the three human class I alcohol dehydrogenases.
Protein Sci., 10, 2001
1HRU
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BU of 1hru by Molmil
THE STRUCTURE OF THE YRDC GENE PRODUCT FROM E.COLI
Descriptor: PHOSPHATE ION, YRDC GENE PRODUCT
Authors:Teplova, M, Tereshko, V, Sanishvili, R, Joachimiak, A, Bushueva, T, Anderson, W.F, Egli, M, Midwest Center for Structural Genomics (MCSG)
Deposit date:2000-12-21
Release date:2001-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of the yrdC gene product from Escherichia coli reveals a new fold and suggests a role in RNA binding.
Protein Sci., 9, 2000
8HNZ
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BU of 8hnz by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP
Descriptor: (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ...
Authors:Ma, B.D, Tian, W, Qu, X, Kong, X.D.
Deposit date:2022-12-09
Release date:2023-04-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HO0
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Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP
Descriptor: (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ...
Authors:Ma, B.D, Tian, W, Qu, X, Kong, X.D.
Deposit date:2022-12-09
Release date:2023-04-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HO1
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Crystal structure of cytochrome P450 NasF5053 mutant F387G
Descriptor: CALCIUM ION, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ma, B.D, Tian, W, Qu, X, Kong, X.D.
Deposit date:2022-12-09
Release date:2023-04-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HNY
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Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP
Descriptor: (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ma, B.D, Tian, W, Qu, X, Kong, X.D.
Deposit date:2022-12-09
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8D6G
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Nanorana parkeri saxiphilin
Descriptor: PENTAETHYLENE GLYCOL, Saxiphilin
Authors:Zakrzewska, S, Chen, Z, Minor, D.L.
Deposit date:2022-06-06
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D6O
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Nanorana parkeri saxiphilin:F-STX (soaked)
Descriptor: (2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid, PENTAETHYLENE GLYCOL, Saxiphilin
Authors:Zakrzewska, S, Chen, Z, Minor, D.L.
Deposit date:2022-06-06
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D6T
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Rana catesbeiana saxiphilin mutant - Y558I:STX (co-crystal)
Descriptor: CACODYLATE ION, Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Authors:Chen, Z, Zakrzewska, S, Minor, D.L.
Deposit date:2022-06-06
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D6P
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BU of 8d6p by Molmil
Rana catesbeiana saxiphilin mutant - Y558A
Descriptor: Saxiphilin
Authors:Chen, Z, Zakrzewska, S, Minor, D.L.
Deposit date:2022-06-06
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D6Q
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BU of 8d6q by Molmil
Rana catesbeiana saxiphilin mutant - Y558I
Descriptor: Saxiphilin
Authors:Chen, Z, Zakrzewska, S, Minor, D.L.
Deposit date:2022-06-06
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D6M
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BU of 8d6m by Molmil
Nanorana parkeri saxiphilin:STX (co-crystal)
Descriptor: PENTAETHYLENE GLYCOL, Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Authors:Zakrzewska, S, Chen, Z, Minor, D.L.
Deposit date:2022-06-06
Release date:2022-11-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D6S
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BU of 8d6s by Molmil
Rana catesbeiana saxiphilin mutant - Y558A:STX (co-crystal)
Descriptor: Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Authors:Chen, Z, Zakrzewska, S, Minor, D.L.
Deposit date:2022-06-06
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D6U
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BU of 8d6u by Molmil
Rana catesbeiana saxiphilin:F-STX (soaked)
Descriptor: (2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid, Saxiphilin
Authors:Chen, Z, Zakrzewska, S, Minor, D.L.
Deposit date:2022-06-06
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
4GF0
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BU of 4gf0 by Molmil
Crystal structure of glutahtione transferase homolog from sulfitobacter, TARGET EFI-501084, with bound glutathione
Descriptor: CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-08-02
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of glutahtione transferase homolog from sulfitobacter, TARGET EFI-501084, with bound glutathione
To be Published
2G0B
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BU of 2g0b by Molmil
The structure of FeeM, an N-acyl amino acid synthase from uncultured soil microbes
Descriptor: FeeM, N-DODECANOYL-L-TYROSINE
Authors:Van Wagoner, R.M, Clardy, J.
Deposit date:2006-02-11
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:FeeM, an N-Acyl Amino Acid Synthase from an Uncultured Soil Microbe: Structure, Mechanism, and Acyl Carrier Protein Binding.
Structure, 14, 2006
7C9M
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BU of 7c9m by Molmil
The structure of product-bound CntL, an aminobutyrate transferase in staphylopine biosynthesis
Descriptor: (2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, 5'-DEOXY-5'-METHYLTHIOADENOSINE, D-histidine 2-aminobutanoyltransferase
Authors:Luo, Z, Zhou, H.
Deposit date:2020-06-06
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis.
Faseb J., 35, 2021
7C9K
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BU of 7c9k by Molmil
Crystal Structure of E84Q mutant of CntL in complex with SAM
Descriptor: CALCIUM ION, D-histidine 2-aminobutanoyltransferase, S-ADENOSYLMETHIONINE
Authors:Luo, Z, Zhou, H.
Deposit date:2020-06-06
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis.
Faseb J., 35, 2021
7QFT
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BU of 7qft by Molmil
Crystal structure of KLK6 in complex with compound 16a
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
8A56
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BU of 8a56 by Molmil
Coenzyme A-persulfide reductase (CoAPR) from Enterococcus faecalis
Descriptor: 1,2-ETHANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Coenzyme A-persulfide reductase, ...
Authors:Costa, S.S, Walsh, B.J, Giedroc, D.P, Brito, J.A.
Deposit date:2022-06-14
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Metabolic and Structural Insights into Hydrogen Sulfide Mis-Regulation in Enterococcus faecalis.
Antioxidants, 11, 2022

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