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PDB: 219 results

8ON3
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BU of 8on3 by Molmil
NI,FE-CODH -320mV + CN state : 24 h Dioxygen Exposure
Descriptor: Carbon monoxide dehydrogenase 2, DI(HYDROXYETHYL)ETHER, FE (II) ION, ...
Authors:Basak, Y, Jeoung, J.-H, Dobbek, H.
Deposit date:2023-03-31
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8ON1
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BU of 8on1 by Molmil
NI,FE-CODH -600mV state : 4 h Dioxygen Exposure
Descriptor: Carbon monoxide dehydrogenase 2, FE (II) ION, FE (III) ION, ...
Authors:Basak, Y, Jeoung, J.-H, Dobbek, H.
Deposit date:2023-03-31
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8ON2
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BU of 8on2 by Molmil
NI,FE-CODH -600mV state : 24 h Dioxygen Exposure
Descriptor: Carbon monoxide dehydrogenase 2, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Basak, Y, Jeoung, J.-H, Dobbek, H.
Deposit date:2023-03-31
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
6QII
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BU of 6qii by Molmil
Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri
Descriptor: (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, Coenzyme F420 hydrogenase subunit beta, ...
Authors:Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H.
Deposit date:2019-01-19
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QGR
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BU of 6qgr by Molmil
The F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri at the Nia-S state
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, ...
Authors:Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H.
Deposit date:2019-01-12
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QGT
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BU of 6qgt by Molmil
The carbon monoxide inhibition of F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit beta, ...
Authors:Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H.
Deposit date:2019-01-12
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
8ON0
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BU of 8on0 by Molmil
NI,FE-CODH -600mV state : 90 min Dioxygen Exposure
Descriptor: Carbon monoxide dehydrogenase 2, FE (II) ION, FE (III) ION, ...
Authors:Basak, Y, Jeoung, J.-H, Dobbek, H.
Deposit date:2023-03-31
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8OMY
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BU of 8omy by Molmil
NI,FE-CODH -600mV state : 35 min Dioxygen Exposure
Descriptor: Carbon monoxide dehydrogenase 2, FE (II) ION, FE (III) ION, ...
Authors:Basak, Y, Jeoung, J.-H, Dobbek, H.
Deposit date:2023-03-31
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
7B9A
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BU of 7b9a by Molmil
CooS-V with Xe-soaked
Descriptor: 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane, BROMIDE ION, Carbon monoxide dehydrogenase, ...
Authors:Jeoung, J.H, Dobbek, H.
Deposit date:2020-12-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Morphing [4Fe-3S-nO]-Cluster within a Carbon Monoxide Dehydrogenase Scaffold.
Angew.Chem.Int.Ed.Engl., 61, 2022
8OMX
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BU of 8omx by Molmil
NI,FE-CODH -600mV state : 1 min Dioxygen Exposure
Descriptor: Carbon monoxide dehydrogenase 2, FE (II) ION, FE(4)-NI(1)-S(5) CLUSTER, ...
Authors:Basak, Y, Jeoung, J.-H, Dobbek, H.
Deposit date:2023-03-31
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
1FFU
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BU of 1ffu by Molmil
CARBON MONOXIDE DEHYDROGENASE FROM HYDROGENOPHAGA PSEUDOFLAVA WHICH LACKS THE MO-PYRANOPTERIN MOIETY OF THE MOLYBDENUM COFACTOR
Descriptor: CUTL, MOLYBDOPROTEIN OF CARBON MONOXIDE DEHYDROGENASE, CUTM, ...
Authors:Haenzelmann, P, Dobbek, H, Gremer, L, Huber, R, Meyer, O.
Deposit date:2000-07-26
Release date:2000-09-15
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The effect of intracellular molybdenum in Hydrogenophaga pseudoflava on the crystallographic structure of the seleno-molybdo-iron-sulfur flavoenzyme carbon monoxide dehydrogenase.
J.Mol.Biol., 301, 2000
1FFV
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BU of 1ffv by Molmil
CARBON MONOXIDE DEHYDROGENASE FROM HYDROGENOPHAGA PSEUDOFLAVA
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), CUTL, MOLYBDOPROTEIN OF CARBON MONOXIDE DEHYDROGENASE, ...
Authors:Haenzelmann, P, Dobbek, H, Gremer, L, Huber, R, Meyer, O.
Deposit date:2000-07-26
Release date:2000-09-15
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The effect of intracellular molybdenum in Hydrogenophaga pseudoflava on the crystallographic structure of the seleno-molybdo-iron-sulfur flavoenzyme carbon monoxide dehydrogenase.
J.Mol.Biol., 301, 2000
6G2G
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BU of 6g2g by Molmil
Fe-S assembly Cfd1
Descriptor: Cytosolic Fe-S cluster assembly factor CFD1, IRON/SULFUR CLUSTER, SULFATE ION
Authors:Jeoung, J.H, Dobbek, H.
Deposit date:2018-03-23
Release date:2019-01-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Function and crystal structure of the dimeric P-loop ATPase CFD1 coordinating an exposed [4Fe-4S] cluster for transfer to apoproteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4UTI
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BU of 4uti by Molmil
XenA - oxidized - Y183F variant in complex with coumarin
Descriptor: COUMARIN, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ...
Authors:Werther, T, Dobbek, H.
Deposit date:2014-07-21
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.099 Å)
Cite:Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017
6W1P
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BU of 6w1p by Molmil
RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2020-03-04
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W1V
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BU of 6w1v by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2020-03-04
Release date:2020-06-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W1O
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BU of 6w1o by Molmil
RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.08 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2020-03-04
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W1Q
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BU of 6w1q by Molmil
RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2020-03-04
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
7B97
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BU of 7b97 by Molmil
CooS-V with oxidized hybrid cluster by hydroxylamine for 30 min
Descriptor: (R,R)-2,3-BUTANEDIOL, 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane, Carbon monoxide dehydrogenase, ...
Authors:Jeoung, J.H, Dobbek, H.
Deposit date:2020-12-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Morphing [4Fe-3S-nO]-Cluster within a Carbon Monoxide Dehydrogenase Scaffold.
Angew.Chem.Int.Ed.Engl., 61, 2022
7B95
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BU of 7b95 by Molmil
CooS-V with partially oxidized hybrid cluster by hydroxylamine
Descriptor: (R,R)-2,3-BUTANEDIOL, Carbon monoxide dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
Authors:Jeoung, J.H, Dobbek, H.
Deposit date:2020-12-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Morphing [4Fe-3S-nO]-Cluster within a Carbon Monoxide Dehydrogenase Scaffold.
Angew.Chem.Int.Ed.Engl., 61, 2022
6W1R
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BU of 6w1r by Molmil
RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2020-03-04
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W1T
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BU of 6w1t by Molmil
RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2020-03-04
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W1U
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BU of 6w1u by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2020-03-04
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
7YYL
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BU of 7yyl by Molmil
nucleotide-free DCCP:DCCP-R complex
Descriptor: Dehydratase family protein, Double cubane cluster, IRON/SULFUR CLUSTER, ...
Authors:Jeoung, J.-H, Dobbek, H.
Deposit date:2022-02-18
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural basis for coupled ATP-driven electron transfer in the double-cubane cluster protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YZM
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BU of 7yzm by Molmil
MgADPNP-bound DCCP:DCCP-R complex
Descriptor: (R,R)-2,3-BUTANEDIOL, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Jeoung, J.-H, Dobbek, H.
Deposit date:2022-02-21
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural basis for coupled ATP-driven electron transfer in the double-cubane cluster protein.
Proc.Natl.Acad.Sci.USA, 119, 2022

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