6AVQ
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![BU of 6avq by Molmil](/molmil-images/mine/6avq) | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha-V beta-3 Integrin via Steric Hindrance | Descriptor: | Integrin alpha-V, Integrin beta-3, LM609 Fab heavy chain, ... | Authors: | Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. | Deposit date: | 2017-09-04 | Release date: | 2017-11-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
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6AVR
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![BU of 6avr by Molmil](/molmil-images/mine/6avr) | Human alpha-V beta-3 Integrin (intermediate conformation) in complex with the therapeutic antibody LM609 | Descriptor: | Fab LM609 heavy chain, Fab LM609 light chain, Integrin alpha-V, ... | Authors: | Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. | Deposit date: | 2017-09-04 | Release date: | 2017-11-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
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1ABA
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![BU of 1aba by Molmil](/molmil-images/mine/1aba) | THE STRUCTURE OF OXIDIZED BACTERIOPHAGE T4 GLUTAREDOXIN (THIOREDOXIN). REFINEMENT OF NATIVE AND MUTANT PROTEINS | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTAREDOXIN | Authors: | Eklund, H, Ingelman, M, Soderberg, B.-O, Uhlin, T, Nordlund, P, Nikkola, M, Sonnerstam, U, Joelson, T, Petratos, K. | Deposit date: | 1992-04-24 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of oxidized bacteriophage T4 glutaredoxin (thioredoxin). Refinement of native and mutant proteins. J.Mol.Biol., 228, 1992
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1AAZ
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![BU of 1aaz by Molmil](/molmil-images/mine/1aaz) | THE STRUCTURE OF OXIDIZED BACTERIOPHAGE T4 GLUTAREDOXIN (THIOREDOXIN) | Descriptor: | CADMIUM ION, GLUTAREDOXIN | Authors: | Eklund, H, Ingelman, M, Soderberg, B.-O, Uhlin, T, Nordlund, P, Nikkola, M, Sonnerstam, U, Joelson, T, Petratos, K. | Deposit date: | 1992-04-24 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of oxidized bacteriophage T4 glutaredoxin (thioredoxin). Refinement of native and mutant proteins. J.Mol.Biol., 228, 1992
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4Q97
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![BU of 4q97 by Molmil](/molmil-images/mine/4q97) | IgNAR antibody domain C1 | Descriptor: | Novel antigen receptor | Authors: | Feige, J.M, Graewert, M.A, Marcinowski, M, Hennig, J, Behnke, J, Auslaender, D, Herold, E.M, Peschek, J, Castro, C.D, Flajnik, M.F, Hendershot, L.M, Sattler, M, Groll, M, Buchner, J. | Deposit date: | 2014-04-29 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins. Proc.Natl.Acad.Sci.USA, 111, 2014
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7W3W
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![BU of 7w3w by Molmil](/molmil-images/mine/7w3w) | X-ray structure of apo-VmFbpA, a ferric ion-binding protein from Vibrio metschnikovii | Descriptor: | Iron-utilization periplasmic protein | Authors: | Lu, P, Sui, M, Zhang, M, Nagata, K. | Deposit date: | 2021-11-26 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.858 Å) | Cite: | Rosmarinic Acid and Sodium Citrate Have a Synergistic Bacteriostatic Effect against Vibrio Species by Inhibiting Iron Uptake. Int J Mol Sci, 22, 2021
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3E3U
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![BU of 3e3u by Molmil](/molmil-images/mine/3e3u) | Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor | Descriptor: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase | Authors: | Meng, W, Xu, M, Pan, S, Koehn, J. | Deposit date: | 2008-08-08 | Release date: | 2009-01-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results. Bioorg.Med.Chem.Lett., 18, 2008
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7Z8O
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![BU of 7z8o by Molmil](/molmil-images/mine/7z8o) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | Descriptor: | 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ... | Authors: | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | Deposit date: | 2022-03-18 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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4QL1
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![BU of 4ql1 by Molmil](/molmil-images/mine/4ql1) | Crystal structure of human WDR5 in complex with compound OICR-9429 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ... | Authors: | Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-10 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia. Nat.Chem.Biol., 11, 2015
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7Z0U
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![BU of 7z0u by Molmil](/molmil-images/mine/7z0u) | Crystal structure of AtWRKY18 DNA-binding domain in complex with W-box DNA | Descriptor: | DNA (5'-D(*CP*GP*CP*CP*TP*TP*GP*AP*CP*CP*AP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*TP*GP*GP*TP*CP*AP*AP*GP*GP*CP*G)-3'), WRKY transcription factor 18, ... | Authors: | Grzechowiak, M, Jaskolski, M, Ruszkowski, M. | Deposit date: | 2022-02-23 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | New aspects of DNA recognition by group II WRKY transcription factor revealed by structural and functional study of AtWRKY18 DNA binding domain. Int.J.Biol.Macromol., 213, 2022
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7Z0R
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![BU of 7z0r by Molmil](/molmil-images/mine/7z0r) | AtWRKY18 DNA-binding domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, NITRATE ION, ... | Authors: | Grzechowiak, M, Jaskolski, M, Ruszkowski, M. | Deposit date: | 2022-02-23 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | New aspects of DNA recognition by group II WRKY transcription factor revealed by structural and functional study of AtWRKY18 DNA binding domain. Int.J.Biol.Macromol., 213, 2022
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3E95
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![BU of 3e95 by Molmil](/molmil-images/mine/3e95) | Crystal Structure of the Plasmodium Falciparum ubiquitin conjugating enzyme complex, PfUBC13-PfUev1a | Descriptor: | UNKNOWN ATOM OR ION, Ubiquitin carrier protein, Ubiquitin-conjugating enzyme E2 | Authors: | Wernimont, A.K, Lam, A, Ali, A, Brokx, S, Lin, Y.H, Zhao, Y, Lew, J, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, BOuntra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Qiu, W, Brand, V.B, Structural Genomics Consortium (SGC) | Deposit date: | 2008-08-21 | Release date: | 2008-09-30 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Plasmodium Falciparum ubiquitin conjugating enzyme complex, PfUBC13-PfUev1a TO BE PUBLISHED
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3CHO
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![BU of 3cho by Molmil](/molmil-images/mine/3cho) | Crystal structure of leukotriene a4 hydrolase in complex with 2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide | Descriptor: | ACETATE ION, Leukotriene A-4 hydrolase, N-[4-(benzyloxy)phenyl]glycinamide, ... | Authors: | Thunnissen, M.M.G.M, Adler, M, Whitlow, M. | Deposit date: | 2008-03-10 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase. Bioorg.Med.Chem., 16, 2008
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3CHP
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![BU of 3chp by Molmil](/molmil-images/mine/3chp) | Crystal structure of leukotriene a4 hydrolase in complex with (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | Descriptor: | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid, ACETATE ION, IMIDAZOLE, ... | Authors: | Thunnissen, M.M.G.M, Adler, M, Whitlow, M. | Deposit date: | 2008-03-10 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase. Bioorg.Med.Chem., 16, 2008
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6UKN
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![BU of 6ukn by Molmil](/molmil-images/mine/6ukn) | Cryo-EM structure of the potassium-chloride cotransporter KCC4 in lipid nanodiscs | Descriptor: | CHLORIDE ION, POTASSIUM ION, Solute carrier family 12 member 7, ... | Authors: | Reid, M.S, Kern, D.M, Brohawn, S.G. | Deposit date: | 2019-10-05 | Release date: | 2020-06-10 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Cryo-EM structure of the potassium-chloride cotransporter KCC4 in lipid nanodiscs. Elife, 9, 2020
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7NE1
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![BU of 7ne1 by Molmil](/molmil-images/mine/7ne1) | Structure of the complex between Netrin-1 and its receptor Neogenin | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-02 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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7NDG
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![BU of 7ndg by Molmil](/molmil-images/mine/7ndg) | Cryo-EM structure of the ternary complex between Netrin-1, Neogenin and Repulsive Guidance Molecule B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neogenin, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-01 | Release date: | 2021-03-31 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (5.98 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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7NE0
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![BU of 7ne0 by Molmil](/molmil-images/mine/7ne0) | Structure of the ternary complex between Netrin-1, Repulsive-Guidance Molecule-B (RGMB) and Neogenin | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-02 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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6OBN
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![BU of 6obn by Molmil](/molmil-images/mine/6obn) | The crystal structure of coexpressed SDS22:PP1 complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE (III) ION, ... | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | Deposit date: | 2019-03-21 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1. Proc.Natl.Acad.Sci.USA, 116, 2019
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3AP3
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![BU of 3ap3 by Molmil](/molmil-images/mine/3ap3) | Crystal structure of human tyrosylprotein sulfotransferase-2 complexed with PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Protein-tyrosine sulfotransferase 2 | Authors: | Teramoto, T, Fujikawa, Y, Kawaguchi, Y, Kurogi, K, Soejima, M, Adachi, R, Nakanishi, Y, Mishiro-Sato, E, Liu, M.-C, Sakakibara, Y, Suiko, M, Kimura, M, Kakuta, Y. | Deposit date: | 2010-10-09 | Release date: | 2011-10-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of human tyrosylprotein sulfotransferase-2 reveals the mechanism of protein tyrosine sulfation reaction. Nat Commun, 4, 2013
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5X52
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![BU of 5x52 by Molmil](/molmil-images/mine/5x52) | Human serum albumin complexed with octanoate and N-acetyl-L-methionine | Descriptor: | N-ACETYLMETHIONINE, OCTANOIC ACID (CAPRYLIC ACID), PHOSPHATE ION, ... | Authors: | Kawai, A, Otagiri, M. | Deposit date: | 2017-02-14 | Release date: | 2017-05-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Crystallographic analysis of the ternary complex of octanoate and N-acetyl-l-methionine with human serum albumin reveals the mode of their stabilizing interactions Biochim. Biophys. Acta, 1865, 2017
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6UJU
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![BU of 6uju by Molmil](/molmil-images/mine/6uju) | Structure of the HIV-1 gp41 transmembrane domain and cytoplasmic tail (LLP2) | Descriptor: | Envelope glycoprotein GP41 | Authors: | Piai, A, Fu, Q, Cai, Y, Ghantous, F, Xiao, T, Shaik, M.M, Peng, H, Rits-Volloch, S, Liu, Z, Chen, W, Seaman, M.S, Chen, B, Chou, J.J. | Deposit date: | 2019-10-03 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis of transmembrane coupling of the HIV-1 envelope glycoprotein. Nat Commun, 11, 2020
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4O4R
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![BU of 4o4r by Molmil](/molmil-images/mine/4o4r) | Murine Norovirus RdRp in complex with PPNDS | Descriptor: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, RNA-dependent-RNA-polymerase, SULFATE ION | Authors: | Croci, R, Tarantino, D, Milani, M, Pezzullo, M, Bolognesi, M, Mastrangelo, E. | Deposit date: | 2013-12-19 | Release date: | 2014-11-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | PPNDS inhibits murine Norovirus RNA-dependent RNA-polymerase mimicking two RNA stacking bases. Febs Lett., 588, 2014
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5XSO
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![BU of 5xso by Molmil](/molmil-images/mine/5xso) | Crystal structure of full-length FixJ from B. japonicum crystallized in space group C2221 | Descriptor: | FORMIC ACID, GLYCEROL, Response regulator FixJ | Authors: | Nishizono, Y, Hisano, T, Sawai, H, Shiro, Y, Nakamura, H, Wright, G.S.A, Saeki, A, Hikima, T, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2017-06-14 | Release date: | 2018-05-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.778 Å) | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system. Sci Signal, 11, 2018
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3AP1
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![BU of 3ap1 by Molmil](/molmil-images/mine/3ap1) | Crystal structure of human tyrosylprotein sulfotransferase-2 complexed with PAP and C4 peptide | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, C4 peptide, GLYCEROL, ... | Authors: | Teramoto, T, Fujikawa, Y, Kawaguchi, Y, Kurogi, K, Soejima, M, Adachi, R, Nakanishi, Y, Mishiro-Sato, E, Liu, M.-C, Sakakibara, Y, Suiko, M, Kimura, M, Kakuta, Y. | Deposit date: | 2010-10-09 | Release date: | 2011-10-26 | Last modified: | 2013-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human tyrosylprotein sulfotransferase-2 reveals the mechanism of protein tyrosine sulfation reaction. Nat Commun, 4, 2013
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