6VXT
 
 | | Activated Nitrogenase MoFe-protein from Azotobacter vinelandii | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Kang, W, Hu, Y, Ribbe, M.W. | | Deposit date: | 2020-02-24 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural evidence for a dynamic metallocofactor during N2reduction by Mo-nitrogenase.
Science, 368, 2020
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4ND8
 | | Av Nitrogenase MoFe Protein High pH Form | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Yang, K.-Y, Haynes, C.A, Spatzal, T, Rees, D.C, Howard, J.B. | | Deposit date: | 2013-10-25 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Turnover-Dependent Inactivation of the Nitrogenase MoFe-Protein at High pH.
Biochemistry, 53, 2014
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7T4H
 | | Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (22 mM KSeCN, with Av1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Fe4-Se4 cluster, IRON/SULFUR CLUSTER, ... | | Authors: | Buscagan, T.M, Kaiser, J.T, Rees, D.C. | | Deposit date: | 2021-12-09 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
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6FEA
 | | A. vinelandii vanadium nitrogenase, turnover state | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CARBONATE ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Sippel, D, Einsle, O. | | Deposit date: | 2017-12-31 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A bound reaction intermediate sheds light on the mechanism of nitrogenase.
Science, 359, 2018
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4TKU
 | | Reactivated Nitrogenase MoFe-protein from A. vinelandii | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, FE (II) ION, ... | | Authors: | Spatzal, T, Perez, K, Einsle, O, Howard, J.B, Rees, D.C. | | Deposit date: | 2014-05-27 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Ligand binding to the FeMo-cofactor: structures of CO-bound and reactivated nitrogenase.
Science, 345, 2014
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4TKV
 | | CO-bound Nitrogenase MoFe-protein from A. vinelandii | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CARBON MONOXIDE, FE (II) ION, ... | | Authors: | Spatzal, T, Perez, K, Einsle, O, Howard, J.B, Rees, D.C. | | Deposit date: | 2014-05-28 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Ligand binding to the FeMo-cofactor: structures of CO-bound and reactivated nitrogenase.
Science, 345, 2014
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6UG0
 | | N2-bound Nitrogenase MoFe-protein from Azotobacter vinelandii | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Kang, W, Hu, Y, Ribbe, M.W. | | Deposit date: | 2019-09-25 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural evidence for a dynamic metallocofactor during N2reduction by Mo-nitrogenase.
Science, 368, 2020
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5BVH
 | | CO-bound form of Selenium incorporated nitrogenase MoFe-protein (Av1-Se-CO) from A. vinelandii | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CARBON MONOXIDE, CHLORIDE ION, ... | | Authors: | Spatzal, T, Perez, K.A, Howard, J.B, Rees, D.C. | | Deposit date: | 2015-06-05 | | Release date: | 2015-12-30 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Catalysis-dependent selenium incorporation and migration in the nitrogenase active site iron-molybdenum cofactor.
Elife, 4, 2015
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3K1A
 | | Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70Ile MoFe protein variant | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(7)-MO-S(9)-N CLUSTER, ... | | Authors: | Peters, J.W, Sarma, R, Barney, B.M, Keable, S, Seefeldt, L.C, Dean, D.R. | | Deposit date: | 2009-09-26 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70(Ile) MoFe protein variant
J.Inorg.Biochem., 104, 2010
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5BVG
 | | Selenium incorporated nitrogenase MoFe-protein (Av1-Se2B) from A. vinelandii | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, FE (II) ION, ... | | Authors: | Spatzal, T, Perez, K.A, Howard, J.B, Rees, D.C. | | Deposit date: | 2015-06-05 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Catalysis-dependent selenium incorporation and migration in the nitrogenase active site iron-molybdenum cofactor.
Elife, 4, 2015
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6N4L
 | | Dithionite-reduced ADP-bound form of the nitrogenase Fe-protein from A. vinelandii | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Wenke, B.B, Spatzal, T, Rees, D.C. | | Deposit date: | 2018-11-19 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019
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6N4M
 | | IDS-oxidized ADP-bound form of the nitrogenase Fe-protein from A. vinelandii | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Wenke, B.B, Spatzal, T, Rees, D.C. | | Deposit date: | 2018-11-19 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019
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7JRF
 | | CO-CO-BOUND NITROGENASE MOFE-PROTEIN FROM A. VINELANDII | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, CARBON MONOXIDE, ... | | Authors: | Spatzal, T, Perez, K.A, Buscagan, T.M, Maggiolo, A.O, Rees, D.C. | | Deposit date: | 2020-08-12 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural Characterization of Two CO Molecules Bound to the Nitrogenase Active Site.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1DE0
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3U7Q
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2C8V
 | | Insights into the role of nucleotide-dependent conformational change in nitrogenase catalysis: Structural characterization of the nitrogenase Fe protein Leu127 deletion variant with bound MgATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, ... | | Authors: | Sen, S, Krishnakumar, A, McClead, J, Johnson, M.K, Seefeldt, L.C, Szilagyi, R.K, Peters, J.W. | | Deposit date: | 2005-12-08 | | Release date: | 2006-06-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights Into the Role of Nucleotide-Dependent Conformational Change in Nitrogenase Catalysis: Structural Characterization of the Nitrogenase Fe Protein Leu127 Deletion Variant with Bound Mgatp.
J.Inorg.Biochem., 100, 2006
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2AFI
 | | Crystal Structure of MgADP bound Av2-Av1 Complex | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Tezcan, F.A, Kaiser, J.T, Mustafi, D, Walton, M.Y, Howard, J.B, Rees, D.C. | | Deposit date: | 2005-07-25 | | Release date: | 2005-09-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Nitrogenase Complexes: Multiple Docking Sites for a Nucleotide Switch Protein
Science, 309, 2005
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2AFH
 | | Crystal Structure of Nucleotide-Free Av2-Av1 Complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, ... | | Authors: | Tezcan, F.A, Kaiser, J.T, Mustafi, D, Walton, M.Y, Howard, J.B, Rees, D.C. | | Deposit date: | 2005-07-25 | | Release date: | 2005-09-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Nitrogenase Complexes: Multiple Docking Sites for a Nucleotide Switch Protein
Science, 309, 2005
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4WZA
 | | Asymmetric Nucleotide Binding in the Nitrogenase Complex | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, ... | | Authors: | Tezcan, F.A, Kaiser, J.T, Howard, J.B, Rees, D.C. | | Deposit date: | 2014-11-19 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8995 Å) | | Cite: | Structural evidence for asymmetrical nucleotide interactions in nitrogenase.
J.Am.Chem.Soc., 137, 2015
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4WZB
 | | Crystal Structure of MgAMPPCP-bound Av2-Av1 complex | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Tezcan, F.A, Kaiser, J.T, Mustafi, D, Walton, M.Y, Howard, J.B, Rees, D.C. | | Deposit date: | 2014-11-19 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Nitrogenase complexes: multiple docking sites for a nucleotide switch protein.
Science, 309, 2005
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4XPI
 | | Fe protein independent substrate reduction by nitrogenase variants altered in intramolecular electron transfer | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, ... | | Authors: | Danyal, K, Rasmusen, A.J, Keable, S.M, Shaw, S, Zadvornyy, O, Duval, S, Dean, D.R, Raugei, S, Peters, J.W, Seefeldt, L.C. | | Deposit date: | 2015-01-17 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fe protein-independent substrate reduction by nitrogenase MoFe protein variants.
Biochemistry, 54, 2015
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4WN9
 | | Structure of the Nitrogenase MoFe Protein from Clostridium pasteurianum Pressurized with Xenon | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Morrison, C.N, Hoy, J.A, Rees, D.C. | | Deposit date: | 2014-10-11 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Substrate Pathways in the Nitrogenase MoFe Protein by Experimental Identification of Small Molecule Binding Sites.
Biochemistry, 54, 2015
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4WNA
 | | Structure of the Nitrogenase MoFe Protein from Azotobacter vinelandii Pressurized with Xenon | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Morrison, C.N, Hoy, J.A, Zhang, L, Einsle, O, Rees, D.C. | | Deposit date: | 2014-10-11 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Substrate Pathways in the Nitrogenase MoFe Protein by Experimental Identification of Small Molecule Binding Sites.
Biochemistry, 54, 2015
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7JMB
 | | Crystal structure of Nitrogenase iron-molybdenum cofactor biosynthesis enzyme NifB from Methanothermobacter thermautotrophicus with three Fe4S4 clusters | | Descriptor: | IRON/SULFUR CLUSTER, Nitrogenase iron-molybdenum cofactor biosynthesis protein NifB | | Authors: | Kang, W, Rettberg, L, Ribbe, M.W, Hu, Y. | | Deposit date: | 2020-07-31 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-Ray Crystallographic Analysis of NifB with a Full Complement of Clusters: Structural Insights into the Radical SAM-Dependent Carbide Insertion During Nitrogenase Cofactor Assembly.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1XD8
 | | Crystal Structure of the Nitrogenase Fe protein Asp39Asn | | Descriptor: | IRON/SULFUR CLUSTER, Nitrogenase iron protein 1 | | Authors: | Jang, S.B, Jeong, M.S, Seefeldt, L.C, Peters, J.W. | | Deposit date: | 2004-09-05 | | Release date: | 2005-03-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and biochemical implications of single amino acid substitutions in the nucleotide-dependent switch regions of the nitrogenase Fe protein from Azotobacter vinelandii
J.Biol.Inorg.Chem., 9, 2004
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