8SOQ
 
 | | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD | | Descriptor: | MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | | Deposit date: | 2023-04-29 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis.
Biochemistry, 62, 2023
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8STD
 | | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD and soaked with CS2 | | Descriptor: | MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | | Deposit date: | 2023-05-10 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis.
Biochemistry, 62, 2023
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2KAU
 | | THE CRYSTAL STRUCTURE OF UREASE FROM KLEBSIELLA AEROGENES AT 2.2 ANGSTROMS RESOLUTION | | Descriptor: | NICKEL (II) ION, UREASE (ALPHA CHAIN), UREASE (BETA CHAIN), ... | | Authors: | Jabri, E, Carr, M.B, Hausinger, R.P, Karplus, P.A. | | Deposit date: | 1995-02-16 | | Release date: | 1995-07-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of urease from Klebsiella aerogenes.
Science, 268, 1995
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1A5M
 | | K217A VARIANT OF KLEBSIELLA AEROGENES UREASE | | Descriptor: | UREASE (ALPHA SUBUNIT), UREASE (BETA SUBUNIT), UREASE (GAMMA SUBUNIT) | | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | | Deposit date: | 1998-02-17 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
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1A5L
 | | K217C VARIANT OF KLEBSIELLA AEROGENES UREASE | | Descriptor: | UREASE (ALPHA SUBUNIT), UREASE (BETA SUBUNIT), UREASE (GAMMA SUBUNIT) | | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | | Deposit date: | 1998-02-17 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
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1A5K
 | | K217E VARIANT OF KLEBSIELLA AEROGENES UREASE | | Descriptor: | UREASE (ALPHA SUBUNIT), UREASE (BETA SUBUNIT), UREASE (GAMMA SUBUNIT) | | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | | Deposit date: | 1998-02-17 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
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1A5N
 | | K217A VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL | | Descriptor: | FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ... | | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | | Deposit date: | 1998-02-17 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
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1A5O
 | | K217C VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL | | Descriptor: | FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ... | | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | | Deposit date: | 1998-02-17 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
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7S91
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8EZF
 | | A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase R98A/R100A variant | | Descriptor: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Gatreddi, S, Hausinger, R.P, Hu, J. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
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8EZI
 | | A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with separated sulfite and NPN | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-methanethioyl-pyridine-3-carbothioic S-acid, CALCIUM ION, ... | | Authors: | Gatreddi, S, Hausinger, R.P, Hu, J. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
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8EZH
 | | A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with sulfite-NPN adduct | | Descriptor: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Gatreddi, S, Hausinger, R.P, Hu, J. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
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5HUQ
 | | A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase | | Descriptor: | 1-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-methanethioyl-pyridine-3-carbothioic S-acid, Lactate racemization operon protein LarA, NICKEL (II) ION, ... | | Authors: | Desguin, B, Zhang, T, Soumillion, P, Hols, P, Hu, J, Hausinger, R.P. | | Deposit date: | 2016-01-27 | | Release date: | 2016-02-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | METALLOPROTEINS. A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase.
Science, 349, 2015
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7MJ0
 | | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with adenosine monophosphate AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | | Authors: | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | | Deposit date: | 2021-04-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MJ2
 | | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zn | | Descriptor: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | | Authors: | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | | Deposit date: | 2021-04-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MJ1
 | | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with NAD | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | | Deposit date: | 2021-04-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.402 Å) | | Cite: | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6OC5
 | | Lanthanide-dependent methanol dehydrogenase XoxF from Methylobacterium extorquens, in complex with Lanthanum | | Descriptor: | LANTHANUM (III) ION, Lanthanide-dependent methanol dehydrogenase XoxF | | Authors: | Fellner, M, Good, N.M, Martinez-Gomez, N.C, Hausinger, R.P, Hu, J. | | Deposit date: | 2019-03-21 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lanthanide-dependent alcohol dehydrogenases require an essential aspartate residue for metal coordination and enzymatic function.
J.Biol.Chem., 295, 2020
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6OC6
 | | Lanthanide-dependent methanol dehydrogenase XoxF from Methylobacterium extorquens, in complex with Lanthanum and Pyrroloquinoline quinone | | Descriptor: | LANTHANUM (III) ION, Lanthanide-dependent methanol dehydrogenase XoxF, PYRROLOQUINOLINE QUINONE | | Authors: | Fellner, M, Good, N.M, Martinez-Gomez, N.C, Hausinger, R.P, Hu, J. | | Deposit date: | 2019-03-21 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Lanthanide-dependent alcohol dehydrogenases require an essential aspartate residue for metal coordination and enzymatic function.
J.Biol.Chem., 295, 2020
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6UTR
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with copper | | Descriptor: | ATP-dependent sacrificial sulfur transferase LarE, COPPER (II) ION, PHOSPHATE ION, ... | | Authors: | Fellner, M, Huizenga, K, Hausinger, R.P, Hu, J. | | Deposit date: | 2019-10-29 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE.
Sci Rep, 10, 2020
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6UTQ
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with cadmium | | Descriptor: | ATP-dependent sacrificial sulfur transferase LarE, CADMIUM ION, PHOSPHATE ION, ... | | Authors: | Fellner, M, Huizenga, K, Hausinger, R.P, Hu, J. | | Deposit date: | 2019-10-29 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE.
Sci Rep, 10, 2020
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6UTT
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with calcium | | Descriptor: | ATP-dependent sacrificial sulfur transferase LarE, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Fellner, M, Huizenga, K, Hausinger, R.P, Hu, J. | | Deposit date: | 2019-10-29 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE.
Sci Rep, 10, 2020
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6UTP
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with cobalt | | Descriptor: | ATP-dependent sacrificial sulfur transferase LarE, COBALT (II) ION, PHOSPHATE ION, ... | | Authors: | Fellner, M, Huizenga, K, Hausinger, R.P, Hu, J. | | Deposit date: | 2019-10-29 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE.
Sci Rep, 10, 2020
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6B2O
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, C176A variant | | Descriptor: | ATP-utilizing enzyme of the PP-loopsuperfamily, PHOSPHATE ION, SULFATE ION | | Authors: | Fellner, M, Hausinger, R.P, Hu, J. | | Deposit date: | 2017-09-20 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Analysis of the Active Site Cysteine Residue of the Sacrificial Sulfur Insertase LarE from Lactobacillus plantarum.
Biochemistry, 57, 2018
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6B2M
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with coenzyme A | | Descriptor: | ATP-utilizing enzyme of the PP-loopsuperfamily, COENZYME A, PHOSPHATE ION | | Authors: | Fellner, M, Hausinger, R.P, Hu, J. | | Deposit date: | 2017-09-20 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Analysis of the Active Site Cysteine Residue of the Sacrificial Sulfur Insertase LarE from Lactobacillus plantarum.
Biochemistry, 57, 2018
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6C1W
 | | 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, 1-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-methanethioyl-pyridine-3-carbothioic S-acid, Lactate racemase, ... | | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | | Deposit date: | 2018-01-05 | | Release date: | 2018-03-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Lactate Racemase Nickel-Pincer Cofactor Operates by a Proton-Coupled Hydride Transfer Mechanism.
Biochemistry, 57, 2018
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