6ZAS
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![BU of 6zas by Molmil](/molmil-images/mine/6zas) | Damage-free as-isolated copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | Authors: | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2020-06-05 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures. Sci Adv, 7, 2021
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6ZAW
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![BU of 6zaw by Molmil](/molmil-images/mine/6zaw) | Damage-free NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2020-06-05 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures. Sci Adv, 7, 2021
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6ZAV
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![BU of 6zav by Molmil](/molmil-images/mine/6zav) | NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.19 A resolution (unrestrained, full matrix refinement by SHELX) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2020-06-05 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures. Sci Adv, 7, 2021
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7BI1
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![BU of 7bi1 by Molmil](/molmil-images/mine/7bi1) | XFEL crystal structure of soybean ascorbate peroxidase compound II | Descriptor: | Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2021-01-12 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | XFEL Crystal Structures of Peroxidase Compound II. Angew.Chem.Int.Ed.Engl., 60, 2021
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7BIU
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![BU of 7biu by Molmil](/molmil-images/mine/7biu) | XFEL crystal structure of cytochrome c peroxidase compound II | Descriptor: | Cytochrome c peroxidase, mitochondrial, HEME C | Authors: | Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2021-01-13 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | XFEL Crystal Structures of Peroxidase Compound II. Angew.Chem.Int.Ed.Engl., 60, 2021
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7ZCS
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![BU of 7zcs by Molmil](/molmil-images/mine/7zcs) | Nitrite-bound MSOX movie series dataset 65 (52 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand (final) | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCP
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![BU of 7zcp by Molmil](/molmil-images/mine/7zcp) | Nitrite-bound MSOX movie series dataset 17 (13.6 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitric oxide (NO) intermediate | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCR
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![BU of 7zcr by Molmil](/molmil-images/mine/7zcr) | Nitrite-bound MSOX movie series dataset 38 (30.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCO
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![BU of 7zco by Molmil](/molmil-images/mine/7zco) | Nitrite-bound MSOX movie series dataset 8 (6.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite/NO intermediate | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCQ
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![BU of 7zcq by Molmil](/molmil-images/mine/7zcq) | Nitrite-bound MSOX movie series dataset 25 (20 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - NO/water intermediate | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCN
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![BU of 7zcn by Molmil](/molmil-images/mine/7zcn) | Nitrite-bound MSOX movie series dataset 1 (0.8 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite (start) | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7W79
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![BU of 7w79 by Molmil](/molmil-images/mine/7w79) | Heme exporter HrtBA in complex with Mn-AMPPNP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Putative ABC transport system integral membrane protein, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7W7A
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![BU of 7w7a by Molmil](/molmil-images/mine/7w7a) | Heme exporter in complex with Mn-containing protoporphyrin IX, Mn-anomalous data | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.204 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7W7D
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![BU of 7w7d by Molmil](/molmil-images/mine/7w7d) | Heme exporter HrtBA in complex with heme | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative ABC transport system integral membrane protein, Putative ABC transport system, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shiro, Y, Shirouzu, M. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7W78
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![BU of 7w78 by Molmil](/molmil-images/mine/7w78) | Heme exporter HrtBA in complex with Mg-AMPPNP | Descriptor: | ACETATE ION, DODECANE, GLYCEROL, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.884 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7W7B
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![BU of 7w7b by Molmil](/molmil-images/mine/7w7b) | Heme exporter HrtBA in complex with protoporphyrin IX containing manganese(III), high resolution data | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING MN, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7W7C
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![BU of 7w7c by Molmil](/molmil-images/mine/7w7c) | Heme exporter in the unliganded form | Descriptor: | Putative ABC transport system integral membrane protein, Putative ABC transport system, ATP-binding protein, ... | Authors: | Rahman, M.M, Hisano, T, Nakamura, H, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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8RK1
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![BU of 8rk1 by Molmil](/molmil-images/mine/8rk1) | Crystal structure of FutA bound to Fe(III) solved by neutron diffraction | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-12-22 | Release date: | 2024-01-17 | Last modified: | 2024-03-27 | Method: | NEUTRON DIFFRACTION (2.095 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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8C4Y
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![BU of 8c4y by Molmil](/molmil-images/mine/8c4y) | SFX structure of FutA bound to Fe(III) | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-01-05 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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6YRD
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![BU of 6yrd by Molmil](/molmil-images/mine/6yrd) | SFX structure of dye-type peroxidase DtpB in the ferryl state | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A. | Deposit date: | 2020-04-20 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation. Angew.Chem.Int.Ed.Engl., 59, 2020
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6YRC
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![BU of 6yrc by Molmil](/molmil-images/mine/6yrc) | Spectroscopically-validated structure of DtpB from Streptomyces lividans in the ferric state | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | Deposit date: | 2020-04-20 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation. Angew.Chem.Int.Ed.Engl., 59, 2020
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6YR4
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![BU of 6yr4 by Molmil](/molmil-images/mine/6yr4) | Dye-type peroxidase DtpB in the ferryl state: Spectroscopically Validated composite structure | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | Deposit date: | 2020-04-19 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation. Angew.Chem.Int.Ed.Engl., 59, 2020
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7KFM
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![BU of 7kfm by Molmil](/molmil-images/mine/7kfm) | Room temperature oxyferrous Dehaloperoxidase B | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, OXYGEN MOLECULE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2020-10-14 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature. Iucrj, 9, 2022
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8OEI
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![BU of 8oei by Molmil](/molmil-images/mine/8oei) | SFX structure of FutA after an accumulated dose of 350 kGy | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-03-10 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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8OEM
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![BU of 8oem by Molmil](/molmil-images/mine/8oem) | Crystal structure of FutA bound to Fe(II) | Descriptor: | FE (II) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-03-10 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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