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8T87
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BU of 8t87 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, unbound dimer crystal form 1
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
8T88
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BU of 8t88 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
8TAV
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BU of 8tav by Molmil
FphH, Staphylococcus aureus fluorophosphonate-binding serine hydrolases H, boronic acid-based compound N34 bound
Descriptor: CALCIUM ION, Fluorophosphonate-binding serine hydrolase H, [5-(trifluoromethyl)thiophen-2-yl]boronic acid
Authors:Fellner, M.
Deposit date:2023-06-28
Release date:2024-07-17
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Identification of covalent inhibitors of Staphylococcus aureus serine hydrolases important for virulence and biofilm formation.
Nat Commun, 16, 2025
8TFW
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BU of 8tfw by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, [5-(trifluoromethyl)thiophen-2-yl]boronic acid
Authors:Fellner, M.
Deposit date:2023-07-12
Release date:2024-07-24
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Identification of covalent inhibitors of Staphylococcus aureus serine hydrolases important for virulence and biofilm formation.
Nat Commun, 16, 2025
6C1W
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BU of 6c1w by Molmil
A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase
Descriptor: (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, Lactate racemase, ...
Authors:Fellner, M, Desguin, B, Hausinger, R.P, Hu, J.
Deposit date:2018-01-05
Release date:2018-03-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Lactate Racemase Nickel-Pincer Cofactor Operates by a Proton-Coupled Hydride Transfer Mechanism.
Biochemistry, 57, 2018
6D6Z
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BU of 6d6z by Molmil
Structure of the malate racemase apoprotein from Thermoanaerobacterium thermosaccharolyticum
Descriptor: Malate racemase Mar2
Authors:Fellner, M, Hausinger, R.P, Hu, J.
Deposit date:2018-04-23
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Uncovering a superfamily of nickel-dependent hydroxyacid racemases and epimerases.
Sci Rep, 10, 2020
6BWR
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BU of 6bwr by Molmil
LarC2, the C-terminal domain of a cyclometallase involved in the synthesis of the NPN cofactor of lactate racemase, in complex with nickel
Descriptor: NICKEL (II) ION, Pyridinium-3,5-bisthiocarboxylic acid mononucleotide nickel insertion protein
Authors:Fellner, M, Hausinger, R.P, Hu, J.
Deposit date:2017-12-15
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Biosynthesis of the nickel-pincer nucleotide cofactor of lactate racemase requires a CTP-dependent cyclometallase.
J. Biol. Chem., 293, 2018
6CBA
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BU of 6cba by Molmil
Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and canavanine
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, L-CANAVANINE, ...
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2018-02-02
Release date:2019-02-06
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme.
Biochemistry, 2024
6BWQ
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BU of 6bwq by Molmil
LarC2, the C-terminal domain of a cyclometallase involved in the synthesis of the NPN cofactor of lactate racemase, in complex with MnCTP
Descriptor: CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Fellner, M, Hausinger, R.P, Hu, J.
Deposit date:2017-12-15
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biosynthesis of the nickel-pincer nucleotide cofactor of lactate racemase requires a CTP-dependent cyclometallase.
J. Biol. Chem., 293, 2018
6BWO
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BU of 6bwo by Molmil
LarC2, the C-terminal domain of a cyclometallase involved in the synthesis of the NPN cofactor of lactate racemase, apo form
Descriptor: Pyridinium-3,5-bisthiocarboxylic acid mononucleotide nickel insertion protein
Authors:Fellner, M, Desguin, B, Hausinger, R.P, Hu, J.
Deposit date:2017-12-15
Release date:2018-06-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Biosynthesis of the nickel-pincer nucleotide cofactor of lactate racemase requires a CTP-dependent cyclometallase.
J. Biol. Chem., 293, 2018
6CF3
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BU of 6cf3 by Molmil
Ethylene forming enzyme Y306A variant in complex with manganese and 2-oxoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ...
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2018-02-13
Release date:2019-02-13
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme.
Biochemistry, 2024
6U1M
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BU of 6u1m by Molmil
Resting state of rat cysteine dioxygenase R60E variant
Descriptor: Cysteine dioxygenase type 1, FE (III) ION
Authors:Pinkney, H.R, Fellner, M, Wilbanks, S.M.
Deposit date:2019-08-16
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Resting state of rat cysteine dioxygenase R60E variant
To be Published
5V2X
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BU of 5v2x by Molmil
Ethylene forming enzyme in complex with manganese and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, MANGANESE (II) ION
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-03-06
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5V31
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BU of 5v31 by Molmil
Ethylene forming enzyme in complex with manganese and L-arginine
Descriptor: 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, MANGANESE (II) ION
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-03-06
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5V34
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BU of 5v34 by Molmil
Ethylene forming enzyme in complex with manganese, malic acid and L-arginine
Descriptor: 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, D-MALATE, ...
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-03-06
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5V2U
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BU of 5v2u by Molmil
Ethylene forming enzyme apo form
Descriptor: 2-oxoglutarate-dependent ethylene/succinate-forming enzyme
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-03-06
Release date:2017-08-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.058 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5V32
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BU of 5v32 by Molmil
Ethylene forming enzyme in complex with manganese and malic acid
Descriptor: 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, D-MALATE, MANGANESE (II) ION
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-03-06
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5V2T
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BU of 5v2t by Molmil
Ethylene forming enzyme in complex with manganese and tartrate
Descriptor: 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, L(+)-TARTARIC ACID, MANGANESE (II) ION
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-03-06
Release date:2017-08-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.227 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5VKA
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BU of 5vka by Molmil
Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and N-omega-hydroxy-L-arginine
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, MANGANESE (II) ION, ...
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-04-21
Release date:2017-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.169 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5V2Z
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BU of 5v2z by Molmil
Ethylene forming enzyme in complex with manganese, 2-oxoadipic acid and L-arginine
Descriptor: 2-OXOADIPIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, ...
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-03-06
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5V2V
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BU of 5v2v by Molmil
Ethylene forming enzyme in complex with nickel
Descriptor: 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, NICKEL (II) ION
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-03-06
Release date:2017-08-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5V2Y
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BU of 5v2y by Molmil
Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and L-arginine
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, ...
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-03-06
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5VKB
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BU of 5vkb by Molmil
Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and argininamide
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININEAMIDE, ...
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-04-21
Release date:2017-08-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.139 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
4UBH
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BU of 4ubh by Molmil
Resting state of rat cysteine dioxygenase Y157F variant
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION, ...
Authors:Tchesnokov, E.P, Fellner, M, Jameson, G.N.L, Wilbanks, S.M.
Deposit date:2014-08-13
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of cysteine dioxygenase mutant
To be published
9BI7
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BU of 9bi7 by Molmil
YqiA, Klebsiella pneumoniae serine hydrolase, unbound
Descriptor: CALCIUM ION, CHLORIDE ION, Esterase
Authors:Randall, G.T, Fellner, M.
Deposit date:2024-04-22
Release date:2025-05-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:YqiA, Klebsiella pneumoniae serine hydrolase, unbound
To Be Published

238582

건을2025-07-09부터공개중

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