6EZS
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![BU of 6ezs by Molmil](/molmil-images/mine/6ezs) | Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi in complex with N-acetylglucosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylglucosaminidase Nag2, MALONATE ION | Authors: | Porfetye, A.T, Meekrathok, P, Burger, M, Vetter, I.R, Suginta, W. | Deposit date: | 2017-11-16 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi To Be Published
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5OA6
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![BU of 5oa6 by Molmil](/molmil-images/mine/5oa6) | Crystal structure of ScGas2 in complex with compound 12 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-21 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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8CIZ
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![BU of 8ciz by Molmil](/molmil-images/mine/8ciz) | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Mycoplanecin A. | Descriptor: | Beta sliding clamp, Mycoplanecin A | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | Deposit date: | 2023-02-11 | Release date: | 2023-11-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins. Nat Commun, 15, 2024
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8CIY
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![BU of 8ciy by Molmil](/molmil-images/mine/8ciy) | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-Griselimycin. | Descriptor: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | Deposit date: | 2023-02-11 | Release date: | 2023-11-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins. Nat Commun, 15, 2024
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8CIX
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![BU of 8cix by Molmil](/molmil-images/mine/8cix) | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin. | Descriptor: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | Deposit date: | 2023-02-11 | Release date: | 2023-11-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins. Nat Commun, 15, 2024
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6SCE
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![BU of 6sce by Molmil](/molmil-images/mine/6sce) | Structure of a Type III CRISPR defence DNA nuclease activated by cyclic oligoadenylate | Descriptor: | Uncharacterized protein, cyclic oligoadenylate | Authors: | McMahon, S.A, Zhu, W, Graham, S, White, M.F, Gloster, T.M. | Deposit date: | 2019-07-24 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure and mechanism of a Type III CRISPR defence DNA nuclease activated by cyclic oligoadenylate. Nat Commun, 11, 2020
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1B7E
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![BU of 1b7e by Molmil](/molmil-images/mine/1b7e) | TRANSPOSASE INHIBITOR | Descriptor: | 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride, PROTEIN (TRANSPOSASE INHIBITOR PROTEIN FROM TN5) | Authors: | Davies, D.R, Braam, L.M, Reznikoff, W.S, Rayment, I. | Deposit date: | 1999-01-22 | Release date: | 1999-04-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The three-dimensional structure of a Tn5 transposase-related protein determined to 2.9A resolution. J.Biol.Chem., 274, 1999
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6FGJ
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![BU of 6fgj by Molmil](/molmil-images/mine/6fgj) | Crystal structure of the small alarmone synthethase 2 from Staphylococcus aureus | Descriptor: | GTP pyrophosphokinase, TRIETHYLENE GLYCOL | Authors: | Bange, G, Steinchen, W, Vogt, M, Altegoer, F. | Deposit date: | 2018-01-11 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Structural and mechanistic divergence of the small (p)ppGpp synthetases RelP and RelQ. Sci Rep, 8, 2018
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6FGX
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![BU of 6fgx by Molmil](/molmil-images/mine/6fgx) | Crystal structure of the small alarmone synthethase 2 from Staphylococcus aureus bound to AMPCPP | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GTP pyrophosphokinase, MAGNESIUM ION | Authors: | Bange, G, Vogt, M, Steinchen, W, Altegoer, F. | Deposit date: | 2018-01-11 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and mechanistic divergence of the small (p)ppGpp synthetases RelP and RelQ. Sci Rep, 8, 2018
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5NSD
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![BU of 5nsd by Molmil](/molmil-images/mine/5nsd) | Co-crystal structure of NAMPT dimer with KPT-9274 | Descriptor: | (~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide, GLYCEROL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Neggers, J.E, Kwanten, B, Dierckx, T, Noguchi, H, Voet, A, Vercruysse, T, Baloglu, E, Senapedis, W, Jacquemyn, M, Daelemans, D. | Deposit date: | 2017-04-26 | Release date: | 2018-02-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.046 Å) | Cite: | Target identification of small molecules using large-scale CRISPR-Cas mutagenesis scanning of essential genes. Nat Commun, 9, 2018
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5NUS
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![BU of 5nus by Molmil](/molmil-images/mine/5nus) | Structure of a minimal complex between p44 and p34 from Chaetomium thermophilum | Descriptor: | ZINC ION, p34, p44 | Authors: | Koelmel, W, Schoenwetter, E, Kuper, J, Schmitt, D.R, Kisker, C. | Deposit date: | 2017-05-02 | Release date: | 2017-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The intricate network between the p34 and p44 subunits is central to the activity of the transcription/DNA repair factor TFIIH. Nucleic Acids Res., 45, 2017
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8BZN
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![BU of 8bzn by Molmil](/molmil-images/mine/8bzn) | SARS-CoV-2 non-structural protein 10 (nsp10) variant T102I | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab, ... | Authors: | Wang, H, Rizvi, S.R.A, Dong, D, Lou, J, Wang, Q, Sopipong, W, Najar, F, Agarwal, P.K, Kozielski, F, Haider, S. | Deposit date: | 2022-12-15 | Release date: | 2023-12-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16. Elife, 12, 2023
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5YMW
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![BU of 5ymw by Molmil](/molmil-images/mine/5ymw) | Crystal structure of 8-mer peptide from Rous sarcoma virus in complex with BF2*1201 | Descriptor: | Beta-2-microglobulin, Class I histocompatibility antigen, F10 alpha chain, ... | Authors: | Xiao, J, Xiang, W, Qi, J, Chai, Y, Liu, W.J, Gao, G.F. | Deposit date: | 2017-10-22 | Release date: | 2018-10-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | An Invariant Arginine in Common with MHC Class II Allows Extension at the C-Terminal End of Peptides Bound to Chicken MHC Class I. J Immunol., 201, 2018
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7AQW
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![BU of 7aqw by Molmil](/molmil-images/mine/7aqw) | Cryo-EM structure of Arabidopsis thaliana Complex-I (membrane tip) | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Acyl carrier protein 1, mitochondrial, ... | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | Deposit date: | 2020-10-23 | Release date: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I. Plant Cell, 33, 2021
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7AQQ
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![BU of 7aqq by Molmil](/molmil-images/mine/7aqq) | Cryo-EM structure of Arabidopsis thaliana Complex-I (membrane core) | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ... | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | Deposit date: | 2020-10-22 | Release date: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I. Plant Cell, 33, 2021
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7AQR
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![BU of 7aqr by Molmil](/molmil-images/mine/7aqr) | Cryo-EM structure of Arabidopsis thaliana Complex-I (peripheral arm) | Descriptor: | Acyl carrier protein 2, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | Deposit date: | 2020-10-22 | Release date: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I. Plant Cell, 33, 2021
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7ARC
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![BU of 7arc by Molmil](/molmil-images/mine/7arc) | Cryo-EM structure of Polytomella Complex-I (peripheral arm) | Descriptor: | 13 kDa, 18 kDa, 24 kDa, ... | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | Deposit date: | 2020-10-23 | Release date: | 2021-12-08 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I. Plant Cell, 33, 2021
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2SGF
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![BU of 2sgf by Molmil](/molmil-images/mine/2sgf) | PHE 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-03-25 | Release date: | 2003-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs To be Published
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7AR9
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![BU of 7ar9 by Molmil](/molmil-images/mine/7ar9) | Cryo-EM structure of Polytomella Complex-I (membrane arm) | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 15 kDa, AGGG, ... | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | Deposit date: | 2020-10-23 | Release date: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I. Plant Cell, 33, 2021
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7ARD
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![BU of 7ard by Molmil](/molmil-images/mine/7ard) | Cryo-EM structure of Polytomella Complex-I (complete composition) | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 13 kDa, 15 kDa, ... | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | Deposit date: | 2020-10-23 | Release date: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I. Plant Cell, 33, 2021
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5QPD
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![BU of 5qpd by Molmil](/molmil-images/mine/5qpd) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000293a | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPX
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![BU of 5qpx by Molmil](/molmil-images/mine/5qpx) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000534a | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQW
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![BU of 5qqw by Molmil](/molmil-images/mine/5qqw) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z136583524 | Descriptor: | 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ... | Authors: | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QRC
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![BU of 5qrc by Molmil](/molmil-images/mine/5qrc) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31721798 | Descriptor: | 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one, 5-aminolevulinate synthase, erythroid-specific, ... | Authors: | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | PanDDA analysis group deposition To Be Published
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8C3I
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![BU of 8c3i by Molmil](/molmil-images/mine/8c3i) | Dark state of PAS-GAF fragment from Deinococcus radiodurans phytochrome | 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, Bacteriophytochrome | Authors: | Madan Kumar, S, Sebastian, W. | Deposit date: | 2022-12-24 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dark state of PAS-GAF fragment from Deinococcus radiodurans phytochrome To Be Published
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