6OC5
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![BU of 6oc5 by Molmil](/molmil-images/mine/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
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![BU of 6oc6 by Molmil](/molmil-images/mine/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
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![BU of 6utr by Molmil](/molmil-images/mine/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
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![BU of 6utq by Molmil](/molmil-images/mine/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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6UTP
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![BU of 6utp by Molmil](/molmil-images/mine/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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6UTT
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![BU of 6utt by Molmil](/molmil-images/mine/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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8STC
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![BU of 8stc by Molmil](/molmil-images/mine/8stc) | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate. | Descriptor: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | Deposit date: | 2023-05-09 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate. To be published
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7S91
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8EZF
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![BU of 8ezf by Molmil](/molmil-images/mine/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
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![BU of 8ezi by Molmil](/molmil-images/mine/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, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, CALCIUM ION, ... | Authors: | Gatreddi, S, Hausinger, R.P, Hu, J. | Deposit date: | 2022-10-31 | Release date: | 2023-01-25 | Last modified: | 2024-05-01 | 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
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![BU of 8ezh by Molmil](/molmil-images/mine/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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8STD
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![BU of 8std by Molmil](/molmil-images/mine/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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8SOQ
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![BU of 8soq by Molmil](/molmil-images/mine/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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7MJ1
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![BU of 7mj1 by Molmil](/molmil-images/mine/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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7MJ0
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![BU of 7mj0 by Molmil](/molmil-images/mine/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
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![BU of 7mj2 by Molmil](/molmil-images/mine/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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3N8F
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![BU of 3n8f by Molmil](/molmil-images/mine/3n8f) | Crystal structure of the complex of goat lactoperoxidase with thiocyanate at 3.2 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ... | Authors: | Vikram, G, Singh, A.K, Singh, R.P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-05-28 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structure of the complex of goat lactoperoxidase with thiocyanate at 3.2 A resolution To be Published
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3NIU
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![BU of 3niu by Molmil](/molmil-images/mine/3niu) | Crystal structure of the complex of dimeric goat lactoperoxidase with diethylene glycol at 2.9 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Vikram, G, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-06-16 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Crystal structure of the complex of dimeric goat lactoperoxidase with diethylene glycol at 2.9 A resolution To be Published
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5HUQ
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![BU of 5huq by Molmil](/molmil-images/mine/5huq) | A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase | Descriptor: | 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, 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 | Last modified: | 2024-05-01 | 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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5VKA
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![BU of 5vka by Molmil](/molmil-images/mine/5vka) | 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
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5V31
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![BU of 5v31 by Molmil](/molmil-images/mine/5v31) | 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
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5V2T
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![BU of 5v2t by Molmil](/molmil-images/mine/5v2t) | 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: | 2020-01-01 | 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
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5VKB
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![BU of 5vkb by Molmil](/molmil-images/mine/5vkb) | 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: | 2023-11-15 | 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
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1GY9
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![BU of 1gy9 by Molmil](/molmil-images/mine/1gy9) | Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ... | Authors: | Elkins, J.M, Burzlaff, N.I, Ryle, M.J, Lloyd, J.S, Clifton, I.J, Baldwin, J.E, Hausinger, R.P, Roach, P.L. | Deposit date: | 2002-04-22 | Release date: | 2002-04-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates. Biochemistry, 41, 2002
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1GQW
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![BU of 1gqw by Molmil](/molmil-images/mine/1gqw) | Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ... | Authors: | Elkins, J.M, Ryle, M.J, Clifton, I.J, Dunning-Hotopp, J.C, Lloyd, J.S, Burzlaff, N.I, Baldwin, J.E, Hausinger, R.P, Roach, P.L. | Deposit date: | 2001-12-05 | Release date: | 2002-04-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates Biochemistry, 41, 2002
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