8HCU
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![BU of 8hcu by Molmil](/molmil-images/mine/8hcu) | Crystal structure of BCOR/PCGF1/KDM2B complex | Descriptor: | ACETIC ACID, BCL-6 corepressor, Polycomb group RING finger protein 1, ... | Authors: | Shen, F, Chen, R, Xu, J, Liu, J. | Deposit date: | 2022-11-03 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of BCOR/PCGF1/KDM2B complex to be published
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2BUO
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![BU of 2buo by Molmil](/molmil-images/mine/2buo) | HIV-1 capsid C-terminal domain in complex with an inhibitor of particle assembly | Descriptor: | ACETIC ACID, HIV-1 CAPSID PROTEIN, INHIBITOR OF CAPSID ASSEMBLY | Authors: | Ternois, F, Sticht, J, Duquerroy, S, Krausslich, H.-G, Rey, F.A. | Deposit date: | 2005-06-17 | Release date: | 2005-07-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The HIV-1 Capsid Protein C-Terminal Domain in Complex with a Virus Assembly Inhibitor Nat.Struct.Mol.Biol., 12, 2005
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6MDV
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![BU of 6mdv by Molmil](/molmil-images/mine/6mdv) | Crystal structure of Streptococcus pyogenes endo-beta-N-acetylglucosaminidase (EndoS2) with high-mannose glycan | Descriptor: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Klontz, E.H, Trastoy, B, Orwenyo, J, Wang, L.X, Guerin, M.E, Sundberg, E.J. | Deposit date: | 2018-09-05 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Basis of Broad SpectrumN-Glycan Specificity and Processing of Therapeutic IgG Monoclonal Antibodies by Endoglycosidase S2. ACS Cent Sci, 5, 2019
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3AAR
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![BU of 3aar by Molmil](/molmil-images/mine/3aar) | Crystal structure of Lp1NTPDase from Legionella pneumophila in complex with AMPPNP | Descriptor: | Ectonucleoside triphosphate diphosphohydrolase I, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Ge, H, Vivian, J.P, Beddoe, T, Rossjohn, J. | Deposit date: | 2009-11-24 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of a Legionella pneumophila Ecto -Triphosphate Diphosphohydrolase, A Structural and Functional Homolog of the Eukaryotic NTPDases Structure, 18, 2010
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3IKI
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![BU of 3iki by Molmil](/molmil-images/mine/3iki) | 5-SMe-dU containing DNA octamer | Descriptor: | 5'-D(*GP*(UMS)P*GP*(US2)P*AP*CP*AP*C)-3', MAGNESIUM ION | Authors: | Sheng, J, Hassan, A.E.A, Zhang, W, Gan, J, Huang, Z. | Deposit date: | 2009-08-05 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Hydrogen bond formation between the naturally modified nucleobase and phosphate backbone. Nucleic Acids Res., 40, 2012
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3AEA
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![BU of 3aea by Molmil](/molmil-images/mine/3aea) | Crystal structure of porcine heart mitochondrial complex II bound with N-(3-Dimethylaminomethyl-phenyl)-2-trifluoromethyl-benzamide | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | Deposit date: | 2010-02-04 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.39 Å) | Cite: | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria Int J Mol Sci, 16, 2015
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3MDZ
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![BU of 3mdz by Molmil](/molmil-images/mine/3mdz) | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | Authors: | Ugochukwu, E, Shafqat, N, Pilka, E, Chaikuad, A, Krojer, T, Muniz, J, Kim, J, Bray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Carpenter, E.P, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 to be published
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8P6I
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![BU of 8p6i by Molmil](/molmil-images/mine/8p6i) | Crystal structure of the 139H2 Fab fragment bound to Muc1 peptide epitope | Descriptor: | 139H2 HC, 139H2 LC, Mucin-1 | Authors: | Beugelink, J.W, Peng, W, Siborova, M, Pronker, M.F, Snijder, J, Janssen, B.J.C. | Deposit date: | 2023-05-26 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Reverse-engineering the anti-MUC1 antibody 139H2 by mass spectrometry-based de novo sequencing. Life Sci Alliance, 7, 2024
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8XFZ
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![BU of 8xfz by Molmil](/molmil-images/mine/8xfz) | The structure of HLA-A/L1-2 | Descriptor: | Beta-2-microglobulin, HLA class I heavy chain, Major capsid protein L1 | Authors: | Zhang, J.N, Yue, C, Liu, J. | Deposit date: | 2023-12-14 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals. Immunohorizons, 8, 2024
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5AFW
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![BU of 5afw by Molmil](/molmil-images/mine/5afw) | Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, ... | Authors: | Metzger, E, Willmann, D, McMillan, J, Petroll, K, Metzger, P, Gerhardt, S, vonMaessenhausen, A, Schott, A.K, Espejo, A, Eberlin, A, Wohlwend, D, Schuele, K.M, Schleicher, M, Perner, S, Bedford, M.T, Dengjel, J, Flaig, R, Einsle, O, Schuele, R. | Deposit date: | 2015-01-26 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Assembly of Methylated Kdm1A and Chd1 Drives Androgen Receptor-Dependent Transcription and Translocation. Nat.Struct.Mol.Biol., 23, 2016
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5AJ0
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![BU of 5aj0 by Molmil](/molmil-images/mine/5aj0) | Cryo electron microscopy of actively translating human polysomes (POST state). | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Behrmann, E, Loerke, J, Budkevich, T.V, Yamamoto, K, Schmidt, A, Penczek, P.A, Vos, M.R, Burger, J, Mielke, T, Scheerer, P, Spahn, C.M.T. | Deposit date: | 2015-02-19 | Release date: | 2015-05-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural Snapshots of Actively Translating Human Ribosomes Cell(Cambridge,Mass.), 161, 2015
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1XDG
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![BU of 1xdg by Molmil](/molmil-images/mine/1xdg) | X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution | Descriptor: | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3 ,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE, Integrin alpha-L, MAGNESIUM ION | Authors: | Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J. | Deposit date: | 2004-09-06 | Release date: | 2004-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Improved lymphocyte function-associated antigen-1 (LFA-1) inhibition by statin derivatives: molecular basis determined by x-ray analysis and monitoring of LFA-1 conformational changes in vitro and ex vivo J.Biol.Chem., 279, 2004
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8PAT
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![BU of 8pat by Molmil](/molmil-images/mine/8pat) | Structure of the E.coli DNA polymerase sliding clamp with a covalently bound peptide 3. | Descriptor: | ACE-GLN-ALC-GLX-LEU-PHE, Beta sliding clamp | Authors: | Compain, G, Monsarrat, C, Blagojevic, J, Brillet, K, Dumas, P, Hammann, P, Kuhn, L, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Burnouf, D, Guichard, G. | Deposit date: | 2023-06-08 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Peptide-Based Covalent Inhibitors Bearing Mild Electrophiles to Target a Conserved His Residue of the Bacterial Sliding Clamp. Jacs Au, 4, 2024
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3IUF
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![BU of 3iuf by Molmil](/molmil-images/mine/3iuf) | Crystal structure of the C2H2-type zinc finger domain of human ubi-d4 | Descriptor: | ZINC ION, Zinc finger protein ubi-d4 | Authors: | Tempel, W, Xu, C, Bian, C, Adams-Cioaba, M, Eryilmaz, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-31 | Release date: | 2009-11-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the Cys2His2-type zinc finger domain of human DPF2. Biochem.Biophys.Res.Commun., 413, 2011
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8XG2
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![BU of 8xg2 by Molmil](/molmil-images/mine/8xg2) | The structure of HLA-A/Pep14 | Descriptor: | Beta-2-microglobulin, HLA class I heavy chain, Spike protein S1 | Authors: | Zhang, J.N, Yue, C, Liu, J. | Deposit date: | 2023-12-14 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals. Immunohorizons, 8, 2024
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5XZR
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![BU of 5xzr by Molmil](/molmil-images/mine/5xzr) | The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b | Descriptor: | 4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Li, D, Xie, J, Zhu, J, Liu, C. | Deposit date: | 2017-07-13 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment. J. Med. Chem., 60, 2017
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6J07
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![BU of 6j07 by Molmil](/molmil-images/mine/6j07) | Crystal structure of human TERB2 and TERB1 | Descriptor: | Telomere repeats-binding bouquet formation protein 1, Telomere repeats-binding bouquet formation protein 2, ZINC ION | Authors: | Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M. | Deposit date: | 2018-12-21 | Release date: | 2019-02-27 | Method: | X-RAY DIFFRACTION (3.298 Å) | Cite: | The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope. Nat Commun, 10, 2019
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3IWP
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![BU of 3iwp by Molmil](/molmil-images/mine/3iwp) | |
5A0B
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![BU of 5a0b by Molmil](/molmil-images/mine/5a0b) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5ET5
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![BU of 5et5 by Molmil](/molmil-images/mine/5et5) | Human muscle fructose-1,6-bisphosphatase in active R-state | Descriptor: | Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2015-11-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | T-to-R switch of muscle fructose-1,6-bisphosphatase involves fundamental changes of secondary and quaternary structure. Acta Crystallogr D Struct Biol, 72, 2016
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3I7M
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![BU of 3i7m by Molmil](/molmil-images/mine/3i7m) | N-terminal domain of Xaa-Pro dipeptidase from Lactobacillus brevis. | Descriptor: | Xaa-Pro dipeptidase | Authors: | Osipiuk, J, Xu, X, Cui, H, Ng, J, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-07-08 | Release date: | 2009-07-14 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | X-ray crystal structure of N-terminal domain of Xaa-Pro dipeptidase from Lactobacillus brevis. To be Published
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6YD9
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![BU of 6yd9 by Molmil](/molmil-images/mine/6yd9) | Ecoli GyrB24 with inhibitor 16a | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | Deposit date: | 2020-03-20 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors. Acs Med.Chem.Lett., 11, 2020
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2VAQ
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![BU of 2vaq by Molmil](/molmil-images/mine/2vaq) | STRUCTURE OF STRICTOSIDINE SYNTHASE IN COMPLEX WITH INHIBITOR | Descriptor: | (2S,3R,4S)-methyl 4-(2-(2-(1H-indol-3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate, STRICTOSIDINE SYNTHASE | Authors: | Maresh, J, Giddings, L.A, Friedrich, A, Loris, E.A, Panjikar, S, Trout, B.L, Stoeckigt, J, Peters, B, O'Connor, S.E. | Deposit date: | 2007-09-04 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Strictosidine synthase: mechanism of a Pictet-Spengler catalyzing enzyme. J. Am. Chem. Soc., 130, 2008
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8OVG
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![BU of 8ovg by Molmil](/molmil-images/mine/8ovg) | Human Mitochondrial Lon Y186E Mutant ADP Bound | Descriptor: | Lon protease homolog, mitochondrial | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | Deposit date: | 2023-04-26 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.47 Å) | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions. Sci Rep, 14, 2024
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3IV8
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![BU of 3iv8 by Molmil](/molmil-images/mine/3iv8) | N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae complexed with fructose 6-phosphate | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, N-acetylglucosamine-6-phosphate deacetylase, NICKEL (II) ION, ... | Authors: | Osipiuk, J, Maltseva, N, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-31 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | X-ray crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae complexed with fructose 6-phosphate. To be Published
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