3JA6
 
 | | Cryo-electron Tomography and All-atom Molecular Dynamics Simulations Reveal a Novel Kinase Conformational Switch in Bacterial Chemotaxis Signaling | | Descriptor: | Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein 2 | | Authors: | Cassidy, C.K, Himes, B.A, Alvarez, F.J, Ma, J, Zhao, G, Perilla, J.R, Schulten, K, Zhang, P. | | Deposit date: | 2015-04-21 | | Release date: | 2015-12-09 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (12.7 Å) | | Cite: | CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling.
Elife, 4, 2015
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3JZ3
 | | Structure of the cytoplasmic segment of histidine kinase QseC | | Descriptor: | SULFATE ION, Sensor protein qseC | | Authors: | Xie, W, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2009-09-22 | | Release date: | 2010-07-21 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Cytoplasmic Segment of Histidine Kinase Receptor QseC, a Key Player in Bacterial Virulence.
Protein Pept.Lett., 17, 2010
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6ZT5
 | | Complex between a homodimer of Mycobacterium smegmatis MfpA and a single copy of the N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit | | Descriptor: | DNA gyrase subunit B, Pentapeptide repeat protein MfpA, SULFATE ION | | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | | Deposit date: | 2020-07-17 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZT3
 | | N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit complexed with ADPNP | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | | Deposit date: | 2020-07-17 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZY7
 | | Cryo-EM structure of the entire Human topoisomerase II alpha in State 1 | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | Authors: | Vanden Broeck, A, Lamour, V. | | Deposit date: | 2020-07-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.64 Å) | | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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6ZY6
 | | Cryo-EM structure of the Human topoisomerase II alpha DNA-binding/cleavage domain in State 2 | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | Authors: | Vanden Broeck, A, Lamour, V. | | Deposit date: | 2020-07-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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6ZY8
 | | Cryo-EM structure of the entire Human topoisomerase II alpha in State 2 | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | Authors: | Vanden Broeck, A, Lamour, V. | | Deposit date: | 2020-07-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (7.4 Å) | | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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6ZY5
 | | Cryo-EM structure of the Human topoisomerase II alpha DNA-binding/cleavage domain in State 1 | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | Authors: | Vanden Broeck, A, Lamour, V. | | Deposit date: | 2020-07-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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8U64
 | | Cryo-EM structure of PsBphP in Pfr state, medial PSM only | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U4X
 | | Cryo-EM structure of PsBphP in Pr state | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-11 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U62
 | | Cryo-EM structure of PsBphP in Pfr state, Dimer of Dimers FL | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U65
 | | Cryo-EM structure of PsBphP in Pfr state, splayed PSM only | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U8Z
 | | Cryo-EM structure of PsBphP in Pr state, extended DHp | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-18 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U63
 | | Cryo-EM structure of PsBphP in Pfr state, Dimer of Dimers PSM only | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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7ZBG
 | | Human Topoisomerase II Beta ATPase ADP | | Descriptor: | 4-[(2S,3R)-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione, ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-beta, ... | | Authors: | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | Deposit date: | 2022-03-23 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
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7Z8N
 | | GacS histidine kinase from Pseudomonas aeruginosa | | Descriptor: | CALCIUM ION, Histidine kinase, R-1,2-PROPANEDIOL | | Authors: | Fadel, F, Bassim, V, Francis, V.I, Porter, S.L, Botzanowski, T, Legrand, P, Bourne, Y, Cianferani, S, Vincent, F. | | Deposit date: | 2022-03-17 | | Release date: | 2022-07-13 | | Last modified: | 2023-01-25 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS.
Structure, 30, 2022
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7Z9G
 | | E.coli gyrase holocomplex with 217 bp DNA and Albi-2 | | Descriptor: | 4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | | Authors: | Ghilarov, D, Heddle, J.G.H. | | Deposit date: | 2022-03-21 | | Release date: | 2023-02-15 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023
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7Z9M
 | | E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site AA) | | Descriptor: | 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | | Authors: | Ghilarov, D, Heddle, J.G.H. | | Deposit date: | 2022-03-21 | | Release date: | 2023-02-15 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023
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7Z9C
 | | E.coli gyrase holocomplex with 217 bp DNA and albicidin | | Descriptor: | DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), DNA (5'-D(P*AP*AP*AP*TP*CP*TP*GP*TP*GP*CP*GP*GP*GP*T)-3'), ... | | Authors: | Ghilarov, D, Heddle, J.G.H, Suessmuth, R. | | Deposit date: | 2022-03-21 | | Release date: | 2023-02-15 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023
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7Z9K
 | | E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site TG) | | Descriptor: | 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | | Authors: | Ghilarov, D, Heddle, J.G.H. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023
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2PNR
 | | Crystal Structure of the asymmetric Pdk3-l2 Complex | | Descriptor: | DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 3 | | Authors: | Vassylyev, D.G, Steussy, C.N, Devedjiev, Y. | | Deposit date: | 2007-04-25 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of an Asymmetric complex of Pyruvate Dehydrogenase
Kinase 3 with Lipoyl domain 2 and its Biological Implications
J.Mol.Biol., 370, 2007
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2Q8I
 | | Pyruvate dehydrogenase kinase isoform 3 in complex with antitumor drug radicicol | | Descriptor: | DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, GLYCEROL, ... | | Authors: | Kato, M, Li, J, Chuang, J.L, Chuang, D.T. | | Deposit date: | 2007-06-10 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol.
Structure, 15, 2007
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1QZR
 | | CRYSTAL STRUCTURE OF THE ATPASE REGION OF SACCHAROMYCES CEREVISIAE TOPOISOMERASE II BOUND TO ICRF-187 (DEXRAZOXANE) | | Descriptor: | (S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE, DNA topoisomerase II, MAGNESIUM ION, ... | | Authors: | Classen, S, Olland, S, Berger, J.M. | | Deposit date: | 2003-09-17 | | Release date: | 2003-09-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the topoisomerase II ATPase region and its mechanism of inhibition by the chemotherapeutic agent ICRF-187
Proc.Natl.Acad.Sci.USA, 100, 2003
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1PVG
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8ISK
 | | Pr conformer of Zea mays phytochrome A1 - ZmphyA1-Pr | | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome | | Authors: | Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J. | | Deposit date: | 2023-03-20 | | Release date: | 2023-08-09 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into plant phytochrome A as a highly sensitized photoreceptor.
Cell Res., 33, 2023
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