4YAM
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![BU of 4yam by Molmil](/molmil-images/mine/4yam) | Crystal structure of LigE-apo form from Sphingobium sp. strain SYK-6 | Descriptor: | Beta-etherase | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2015-12-16 | Last modified: | 2016-07-20 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin. J.Biol.Chem., 291, 2016
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7KM3
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![BU of 7km3 by Molmil](/molmil-images/mine/7km3) | Dodecameric Structure of the Chlamydia trachomatis Flavin Prenyltransferase UbiX Ortholog CT220 with FMN and DMAP | Descriptor: | Dimethylallyl monophosphate, FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX | Authors: | Nguyen, T, Nicely, N.I, Belaia-Martiniouk, A, Dunne, A.P, McCafferty, D.G. | Deposit date: | 2020-11-02 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Functional and structural validation of CT220 as the UbiX-like flavin prenyltransferase from Chlamydial menaquinone biosynthesis To be published
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6UUS
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![BU of 6uus by Molmil](/molmil-images/mine/6uus) | CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin peptide | Descriptor: | ADM, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R. | Deposit date: | 2019-10-31 | Release date: | 2020-04-01 | Last modified: | 2020-04-29 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins. Acs Pharmacol Transl Sci, 3, 2020
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6UVA
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![BU of 6uva by Molmil](/molmil-images/mine/6uva) | CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin 2 peptide | Descriptor: | Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R. | Deposit date: | 2019-11-01 | Release date: | 2020-04-01 | Last modified: | 2020-04-29 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins. Acs Pharmacol Transl Sci, 3, 2020
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5SWD
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![BU of 5swd by Molmil](/molmil-images/mine/5swd) | Structure of the adenine riboswitch aptamer domain in an intermediate-bound state | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, ... | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | Deposit date: | 2016-08-08 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography. Nature, 541, 2017
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6F38
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![BU of 6f38 by Molmil](/molmil-images/mine/6f38) | Cryo-EM structure of two dynein tail domains bound to dynactin and HOOK3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ... | Authors: | Lau, C.K, Urnavicius, L, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P. | Deposit date: | 2017-11-28 | Release date: | 2018-01-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Cryo-EM shows how dynactin recruits two dyneins for faster movement. Nature, 554, 2018
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4R6R
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![BU of 4r6r by Molmil](/molmil-images/mine/4r6r) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | Descriptor: | 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | Authors: | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | Deposit date: | 2014-08-26 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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5SWE
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![BU of 5swe by Molmil](/molmil-images/mine/5swe) | Ligand-bound structure of adenine riboswitch aptamer domain converted in crystal from its ligand-free state using ligand mixing serial femtosecond crystallography | Descriptor: | ADENINE, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | Deposit date: | 2016-08-08 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography. Nature, 541, 2017
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6AW7
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![BU of 6aw7 by Molmil](/molmil-images/mine/6aw7) | 2.15A resolution structure of SAH bound catechol O-methyltransferase (COMT) from Nannospalax galili | Descriptor: | CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J. | Deposit date: | 2017-09-05 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution To be published
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4NBT
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![BU of 4nbt by Molmil](/molmil-images/mine/4nbt) | Crystal structure of FabG from Acholeplasma laidlawii | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Pereira, J.H, Mcandrew, R.P, Javidpour, P, Beller, H.R, Adams, P.D. | Deposit date: | 2013-10-23 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Biochemical and Structural Studies of NADH-Dependent FabG Used To Increase the Bacterial Production of Fatty Acids under Anaerobic Conditions. Appl.Environ.Microbiol., 80, 2014
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5FEC
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![BU of 5fec by Molmil](/molmil-images/mine/5fec) | |
5J1W
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![BU of 5j1w by Molmil](/molmil-images/mine/5j1w) | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-29 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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3K2B
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![BU of 3k2b by Molmil](/molmil-images/mine/3k2b) | Crystal structure of photosynthetic A4 isoform glyceraldehyde-3-phosphate dehydrogenase complexed with NAD, from Arabidopsis thaliana | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Fermani, S, Falini, G, Thumiger, A, Sparla, F, Marri, L, Trost, P. | Deposit date: | 2009-09-29 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase (isoform A4) from Arabidopsis thaliana in complex with NAD Acta Crystallogr.,Sect.F, 66, 2010
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7SR0
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![BU of 7sr0 by Molmil](/molmil-images/mine/7sr0) | Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPET | Descriptor: | PHOSPHATE ION, Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH | Authors: | Finton, K.A.K, Rupert, P.B. | Deposit date: | 2021-11-07 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Effects of HLA single chain trimer design on peptide presentation and stability. Front Immunol, 14, 2023
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5CR6
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![BU of 5cr6 by Molmil](/molmil-images/mine/5cr6) | Structure of pneumolysin at 1.98 A resolution | Descriptor: | Pneumolysin | Authors: | Marshall, J.E, Faraj, B.H.A, Gingras, A.R, Lonnen, R, Sheikh, M.A, El-Mezgueldi, M, Moody, P.C.E, Andrew, P.W, Wallis, R. | Deposit date: | 2015-07-22 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Crystal Structure of Pneumolysin at 2.0 angstrom Resolution Reveals the Molecular Packing of the Pre-pore Complex. Sci Rep, 5, 2015
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5K4Q
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![BU of 5k4q by Molmil](/molmil-images/mine/5k4q) | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ refined to 2.3 angstroms | Descriptor: | GLYCEROL, L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Adjogatse, E.K, Cooper, J.B, Erskine, P.T. | Deposit date: | 2016-05-21 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallogr D Struct Biol, 74, 2018
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2J4E
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![BU of 2j4e by Molmil](/molmil-images/mine/2j4e) | THE ITP COMPLEX OF HUMAN INOSINE TRIPHOSPHATASE | Descriptor: | INOSINE 5'-TRIPHOSPHATE, INOSINE TRIPHOSPHATE PYROPHOSPHATASE, INOSINIC ACID, ... | Authors: | Stenmark, P, Kursula, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmbergschiavone, L, Hogbom, M, Kotenyova, T, Landry, R, Loppnau, P, Magnusdottir, A, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Schuler, H, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P. | Deposit date: | 2006-08-29 | Release date: | 2006-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Inosine Triphosphatase: Substrate Binding and Implication of the Inosine Triphosphatase Deficiency Mutation P32T. J.Biol.Chem., 282, 2007
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6O3B
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![BU of 6o3b by Molmil](/molmil-images/mine/6o3b) | Crystal structure of Frizzled 7 CRD in complex with F6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab F6, Heavy chain, ... | Authors: | Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P. | Deposit date: | 2019-02-26 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7AWP
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![BU of 7awp by Molmil](/molmil-images/mine/7awp) | Structure of the thermostabilized EAAT1 cryst-II mutant in complex with rubidium and barium ions and the allosteric inhibitor UCPH101 | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, BARIUM ION, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ... | Authors: | Canul-Tec, J.C, Legrand, P, Reyes, N. | Deposit date: | 2020-11-08 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.91 Å) | Cite: | The ion-coupling mechanism of human excitatory amino acid transporters. Embo J., 41, 2022
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7AWM
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![BU of 7awm by Molmil](/molmil-images/mine/7awm) | Structure of the thermostabilized EAAT1 cryst mutant in complex with L-ASP, three sodium ions and the allosteric inhibitor UCPH101 | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, BARIUM ION, ... | Authors: | Canul-Tec, J.C, Legrand, P, Reyes, N. | Deposit date: | 2020-11-08 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The ion-coupling mechanism of human excitatory amino acid transporters. Embo J., 41, 2022
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2WD2
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![BU of 2wd2 by Molmil](/molmil-images/mine/2wd2) | A chimeric microtubule disruptor with efficacy on a taxane resistant cell line | Descriptor: | 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ... | Authors: | Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L. | Deposit date: | 2009-03-19 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Chimeric Microtubule Disruptors. Chem.Commun.(Camb.), 46, 2010
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7AWL
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![BU of 7awl by Molmil](/molmil-images/mine/7awl) | Structure of the thermostabilized EAAT1 cryst-II mutant in complex with barium and the allosteric inhibitor UCPH101 | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, BARIUM ION, Excitatory amino acid transporter 1, ... | Authors: | Canul-Tec, J.C, Legrand, P, Reyes, N. | Deposit date: | 2020-11-08 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | The ion-coupling mechanism of human excitatory amino acid transporters. Embo J., 41, 2022
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6B9P
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![BU of 6b9p by Molmil](/molmil-images/mine/6b9p) | Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ... | Authors: | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | Deposit date: | 2017-10-11 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition. Angew. Chem. Int. Ed. Engl., 57, 2018
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3ZUM
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![BU of 3zum by Molmil](/molmil-images/mine/3zum) | Photosynthetic Reaction Centre Mutant with Phe L146 replaced with Ala | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | Authors: | Gibasiewicz, K, Pajzderska, M, Potter, J.A, Fyfe, P.K, Dobek, A, Brettel, K, Jones, M.R. | Deposit date: | 2011-07-19 | Release date: | 2011-11-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps between P(+)B(A)(-) and P(+)H(A)(-). J Phys Chem B, 115, 2011
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5Y2W
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![BU of 5y2w by Molmil](/molmil-images/mine/5y2w) | Structure of Synechocystis PCC6803 CcmR regulatory domain in complex with 2-PG | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Rubisco operon transcriptional regulator | Authors: | Jiang, Y.L, Wang, X.P, Sun, H, Cheng, W, Cao, D.D, Han, S.J, Li, W.F, Chen, Y, Zhou, C.Z. | Deposit date: | 2017-07-27 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Coordinating carbon and nitrogen metabolic signaling through the cyanobacterial global repressor NdhR. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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