5H2F
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![BU of 5h2f by Molmil](/molmil-images/mine/5h2f) | Crystal structure of the PsbM-deletion mutant of photosystem II | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Uto, S, Kawakami, K, Umena, Y, Iwai, M, Ikeuchi, M, Shen, J.R, Kamiya, N. | Deposit date: | 2016-10-15 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutual relationships between structural and functional changes in a PsbM-deletion mutant of photosystem II. Faraday Discuss., 198, 2017
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4Y76
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![BU of 4y76 by Molmil](/molmil-images/mine/4y76) | Factor Xa complex with GTC000401 | Descriptor: | CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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4Y79
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![BU of 4y79 by Molmil](/molmil-images/mine/4y79) | Factor Xa complex with GTC000406 | Descriptor: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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4Z4P
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![BU of 4z4p by Molmil](/molmil-images/mine/4z4p) | Structure of the MLL4 SET Domain | Descriptor: | Histone-lysine N-methyltransferase 2D, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | Authors: | Zhang, Z, Mittal, A, Reid, J, Reich, S, Gamblin, S.J, Wilson, J.R. | Deposit date: | 2015-04-02 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolving Catalytic Properties of the MLL Family SET Domain. Structure, 23, 2015
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5JJW
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![BU of 5jjw by Molmil](/molmil-images/mine/5jjw) | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain | Descriptor: | 1,2-ETHANEDIOL, Squamous cell carcinoma antigen recognized by T-cells 3, UNKNOWN ATOM OR ION, ... | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2016-04-25 | Release date: | 2016-05-04 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain to be published
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1SCR
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![BU of 1scr by Molmil](/molmil-images/mine/1scr) | HIGH-RESOLUTION STRUCTURES OF SINGLE-METAL-SUBSTITUTED CONCANAVALIN A: THE CO,CA-PROTEIN AT 1.6 ANGSTROMS AND THE NI,CA-PROTEIN AT 2.0 ANGSTROMS | Descriptor: | CALCIUM ION, CONCANAVALIN A, NICKEL (II) ION | Authors: | Emmerich, C, Helliwell, J.R, Redshaw, M, Naismith, J.H, Harrop, S.J, Raftery, J, Kalb, A.J, Yariv, J, Dauter, Z, Wilson, K.S. | Deposit date: | 1993-12-06 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structures of single-metal-substituted concanavalin A: the Co,Ca-protein at 1.6 A and the Ni,Ca-protein at 2.0 A. Acta Crystallogr.,Sect.D, 50, 1994
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5J3U
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![BU of 5j3u by Molmil](/molmil-images/mine/5j3u) | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, Protein Kinase A | Authors: | El Bakkouri, M, Walker, J.R, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, L, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-31 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP To Be Published
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4ZV8
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![BU of 4zv8 by Molmil](/molmil-images/mine/4zv8) | Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene | Descriptor: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-05-18 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
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4ZXZ
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![BU of 4zxz by Molmil](/molmil-images/mine/4zxz) | |
5BKD
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![BU of 5bkd by Molmil](/molmil-images/mine/5bkd) | Crystal structure of AAD-1 in complex with (R)-cyhalofop, Mn(II), and 2-oxoglutarate | Descriptor: | (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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5AOR
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![BU of 5aor by Molmil](/molmil-images/mine/5aor) | Structure of MLE RNA ADP AlF4 complex | Descriptor: | 5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3', ADENOSINE-5'-DIPHOSPHATE, DOSAGE COMPENSATION REGULATOR, ... | Authors: | Prabu, J.R, Conti, E. | Deposit date: | 2015-09-11 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure of the RNA Helicase Mle Reveals the Molecular Mechanisms for Uridine Specificity and RNA-ATP Coupling. Mol.Cell, 60, 2015
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5BQN
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![BU of 5bqn by Molmil](/molmil-images/mine/5bqn) | Crystal structure of the LHn fragment of botulinum neurotoxin type D, mutant H233Y E230Q | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Botulinum neurotoxin type D,Botulinum neurotoxin type D | Authors: | Masuyer, G, Davies, J.R, Moore, K, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2015-05-29 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of Clostridium botulinum neurotoxin type D as a platform for the development of targeted secretion inhibitors. Sci Rep, 5, 2015
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5BKE
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![BU of 5bke by Molmil](/molmil-images/mine/5bke) | Crystal structure of AAD-2 in complex with Mn(II) and N-oxalylglycine | Descriptor: | Alpha-ketoglutarate-dependent 2,4-dichlorophenoxyacetate dioxygenase, MANGANESE (II) ION, N-OXALYLGLYCINE, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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1SUO
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![BU of 1suo by Molmil](/molmil-images/mine/1suo) | Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | Deposit date: | 2004-03-26 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding. J.Biol.Chem., 279, 2004
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6JLO
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![BU of 6jlo by Molmil](/molmil-images/mine/6jlo) | XFEL structure of cyanobacterial photosystem II (2F state, dataset2) | 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: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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6JLL
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![BU of 6jll by Molmil](/molmil-images/mine/6jll) | XFEL structure of cyanobacterial photosystem II (2F state, dataset1) | 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: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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6KMX
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![BU of 6kmx by Molmil](/molmil-images/mine/6kmx) | Structure of PSI from H. hongdechloris grown under far-red light condition | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F. | Deposit date: | 2019-08-01 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Structural basis for the adaptation and function of chlorophyll f in photosystem I. Nat Commun, 11, 2020
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6K33
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![BU of 6k33 by Molmil](/molmil-images/mine/6k33) | Structure of PSI-isiA supercomplex from Thermosynechococcus vulcanus | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Akita, F, Nagao, R, Kato, K, Shen, J.R, Miyazaki, N. | Deposit date: | 2019-05-16 | Release date: | 2020-05-20 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structure of a cyanobacterial photosystem I surrounded by octadecameric IsiA antenna proteins. Commun Biol, 3, 2020
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6KAF
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![BU of 6kaf by Molmil](/molmil-images/mine/6kaf) | C2S2M2N2-type PSII-LHCII | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Chang, S.H, Shen, L.L, Huang, Z.H, Wang, W.D, Han, G.Y, Shen, J.R, Zhang, X. | Deposit date: | 2019-06-22 | Release date: | 2019-10-23 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Structure of a C2S2M2N2-type PSII-LHCII supercomplex from the green algaChlamydomonas reinhardtii. Proc.Natl.Acad.Sci.USA, 116, 2019
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6KMW
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![BU of 6kmw by Molmil](/molmil-images/mine/6kmw) | Structure of PSI from H. hongdechloris grown under white light condition | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F. | Deposit date: | 2019-08-01 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structural basis for the adaptation and function of chlorophyll f in photosystem I. Nat Commun, 11, 2020
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6KH8
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![BU of 6kh8 by Molmil](/molmil-images/mine/6kh8) | Solution structure of Zn free Bovine Pancreatic Insulin in 20% acetic acid-d4 (pH 1.9) | Descriptor: | Insulin A Chain, Insulin B chain | Authors: | Bhunia, A, Ratha, B.N, Kar, R.K, Brender, J.R. | Deposit date: | 2019-07-14 | Release date: | 2020-10-07 | Last modified: | 2020-11-18 | Method: | SOLUTION NMR | Cite: | High-resolution structure of a partially folded insulin aggregation intermediate. Proteins, 88, 2020
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2FL3
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![BU of 2fl3 by Molmil](/molmil-images/mine/2fl3) | Binary Complex of Restriction Endonuclease HinP1I with Cognate DNA | Descriptor: | 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', R.HinP1I Restriction Endonuclease | Authors: | Horton, J.R. | Deposit date: | 2006-01-05 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion. Nucleic Acids Res., 34, 2006
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2FLC
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![BU of 2flc by Molmil](/molmil-images/mine/2flc) | |
6L4U
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![BU of 6l4u by Molmil](/molmil-images/mine/6l4u) | Structure of the PSI-FCPI supercomplex from diatom | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Nagao, R, Kato, K, Miyazaki, N, Akita, F, Shen, J.R. | Deposit date: | 2019-10-21 | Release date: | 2020-05-20 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom Nat Commun, 2020
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6L4T
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![BU of 6l4t by Molmil](/molmil-images/mine/6l4t) | Structure of the peripheral FCPI from diatom | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Nagao, R, Kato, K, Miyazaki, N, Akita, F, Shen, J.R. | Deposit date: | 2019-10-21 | Release date: | 2020-05-20 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom Nat Commun, 2020
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