1PK9
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![BU of 1pk9 by Molmil](/molmil-images/mine/1pk9) | Crystal Structure of E. coli purine nucleoside phosphorylase complexed with 2-fluoroadenosine and sulfate/phosphate | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type | Authors: | Bennett, E.M, Li, C, Allan, P.W, Parker, W.B, Ealick, S.E. | Deposit date: | 2003-06-05 | Release date: | 2003-11-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase. J.Biol.Chem., 278, 2003
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1PKE
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![BU of 1pke by Molmil](/molmil-images/mine/1pke) | Crystal Structure of E. coli purine nucleoside phosphorylase complexed with 2-fluoro-2'-deoxyadenosine and sulfate/phosphate | Descriptor: | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type | Authors: | Bennett, E.M, Li, C, Allan, P.W, Parker, W.B, Ealick, S.E. | Deposit date: | 2003-06-05 | Release date: | 2003-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase. J.Biol.Chem., 278, 2003
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1ZMS
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![BU of 1zms by Molmil](/molmil-images/mine/1zms) | LMP1 Protein binds to TRAF3 as a structural CD40 | Descriptor: | Latent membrane protein 1, TNF receptor associated factor 3 | Authors: | Wu, S.D, Xie, P, Welsh, K, Li, C, Ni, C.-Z, Zhu, X, Reed, J.C, Satterthwait, A.C, Bishop, G.A, Ely, K.R. | Deposit date: | 2005-05-10 | Release date: | 2005-07-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | LMP1 protein from the Epstein Barr virus is a structural CD40 decoy in B lymphocytes fro binding to TRAF3 J.Biol.Chem., 39, 2005
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1U2Y
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![BU of 1u2y by Molmil](/molmil-images/mine/1u2y) | In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure containing D-gluconhydroximo-1,5-lactam | Descriptor: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | Authors: | Numao, S, Li, C, Damager, I, Wrodnigg, T.M, Begum, A, Overall, C.M, Brayer, G.D, Withers, S.G. | Deposit date: | 2004-07-20 | Release date: | 2004-09-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | In Situ Extension as an Approach for Identifying Novel alpha-Amylase Inhibitors. J.Biol.Chem., 279, 2004
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8D1T
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![BU of 8d1t by Molmil](/molmil-images/mine/8d1t) | Crystal structure of human USP30 in complex with a covalent inhibitor 552 and a Fab | Descriptor: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium, 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 30, ... | Authors: | Song, X, Butler, J, Li, C, Zhang, K, Zhang, D, Hao, Y. | Deposit date: | 2022-05-27 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | TBD To Be Published
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3PCU
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![BU of 3pcu by Molmil](/molmil-images/mine/3pcu) | Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide | Descriptor: | 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X. | Deposit date: | 2010-10-22 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | (+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice. Plos One, 7, 2012
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3RBH
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![BU of 3rbh by Molmil](/molmil-images/mine/3rbh) | Structure of alginate export protein AlgE from Pseudomonas aeruginosa | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, Alginate production protein AlgE, ... | Authors: | Whitney, J.C, Hay, I.D, Li, C, Eckford, P.D, Robinson, H, Amaya, M.F, Wood, L.F, Ohman, D.E, Bear, C.E, Rehm, B.H, Howell, P.L. | Deposit date: | 2011-03-29 | Release date: | 2011-07-27 | Last modified: | 2011-08-24 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural basis for alginate secretion across the bacterial outer membrane. Proc.Natl.Acad.Sci.USA, 108, 2011
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7OFU
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![BU of 7ofu by Molmil](/molmil-images/mine/7ofu) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFS
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![BU of 7ofs by Molmil](/molmil-images/mine/7ofs) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | Descriptor: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFT
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![BU of 7oft by Molmil](/molmil-images/mine/7oft) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | Descriptor: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7ENQ
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![BU of 7enq by Molmil](/molmil-images/mine/7enq) | Crystal structure of human NAMPT in complex with compound NAT | Descriptor: | 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y. | Deposit date: | 2021-04-19 | Release date: | 2022-05-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.204966 Å) | Cite: | Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity. Cell Res., 32, 2022
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4P0C
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![BU of 4p0c by Molmil](/molmil-images/mine/4p0c) | Crystal Structure of NHERF2 PDZ1 Domain in Complex with LPA2 | Descriptor: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF2/Lysophosphatidic acid receptor 2 chimeric protein, THIOCYANATE ION | Authors: | Holcomb, J, Jiang, Y, Lu, G, Trescott, L, Brunzelle, J, Sirinupong, N, Li, C, Naren, A, Yang, Z. | Deposit date: | 2014-02-20 | Release date: | 2014-05-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.339 Å) | Cite: | Structural insights into PDZ-mediated interaction of NHERF2 and LPA2, a cellular event implicated in CFTR channel regulation. Biochem.Biophys.Res.Commun., 446, 2014
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2FG4
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![BU of 2fg4 by Molmil](/molmil-images/mine/2fg4) | Structure of Human Ferritin L Chain | Descriptor: | CADMIUM ION, Ferritin light chain | Authors: | Wang, Z, Li, C, Ellenburg, M, Ruble, J, Ho, J.X, Carter, D.C. | Deposit date: | 2005-12-21 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of human ferritin L chain. ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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5TYT
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![BU of 5tyt by Molmil](/molmil-images/mine/5tyt) | Crystal Structure of the PDZ domain of RhoGEF bound to CXCR2 C-terminal peptide | Descriptor: | Rho guanine nucleotide exchange factor 11, C-X-C chemokine receptor type 2 chimera | Authors: | Spellmon, N, Holcomb, J, Niu, A, Choudhary, V, Sun, X, Brunzelle, J, Li, C, Yang, Z. | Deposit date: | 2016-11-21 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Structural basis of PDZ-mediated chemokine receptor CXCR2 scaffolding by guanine nucleotide exchange factor PDZ-RhoGEF. Biochem. Biophys. Res. Commun., 485, 2017
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4MPA
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![BU of 4mpa by Molmil](/molmil-images/mine/4mpa) | Crystal structure of NHERF1-CXCR2 signaling complex in P21 space group | Descriptor: | ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1, ... | Authors: | Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-09-12 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.097 Å) | Cite: | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping. Plos One, 8, 2013
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4MZ4
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![BU of 4mz4 by Molmil](/molmil-images/mine/4mz4) | Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | Descriptor: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2013-09-29 | Release date: | 2013-12-11 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of an irreversible HCV NS5B polymerase inhibitor. Bioorg.Med.Chem.Lett., 23, 2013
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2FG8
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![BU of 2fg8 by Molmil](/molmil-images/mine/2fg8) | Structure of Human Ferritin L Chain | Descriptor: | CESIUM ION, Ferritin light chain | Authors: | Wang, Z.M, Li, C, Ellenburg, M.P, Ruble, J.R, Ho, J.X, Carter, D.C. | Deposit date: | 2005-12-21 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of human ferritin L chain. ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2FFX
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![BU of 2ffx by Molmil](/molmil-images/mine/2ffx) | Structure of Human Ferritin L. Chain | Descriptor: | CADMIUM ION, SULFATE ION, ferritin light chain | Authors: | Wang, Z.M, Li, C, Ellenburg, M.P, Soitsman, E.M, Ruble, J.R, Wright, B.S, Ho, J.X, Carter, D.C. | Deposit date: | 2005-12-20 | Release date: | 2006-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human ferritin L chain ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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4PQW
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![BU of 4pqw by Molmil](/molmil-images/mine/4pqw) | Crystal Structure of Phospholipase C beta 3 in Complex with PDZ1 of NHERF1 | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Jiang, Y, Wang, S, Holcomb, J, Trescott, L, Guan, X, Hou, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2014-03-04 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallographic analysis of NHERF1-PLC beta 3 interaction provides structural basis for CXCR2 signaling in pancreatic cancer. Biochem.Biophys.Res.Commun., 446, 2014
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4Q3H
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![BU of 4q3h by Molmil](/molmil-images/mine/4q3h) | The crystal structure of NHERF1 PDZ2 CXCR2 complex revealed by the NHERF1 CXCR2 chimeric protein | Descriptor: | Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Holcomb, J, Jiang, Y, Trescott, L, Lu, G, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2014-04-11 | Release date: | 2014-05-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.443 Å) | Cite: | Crystal structure of the NHERF1 PDZ2 domain in complex with the chemokine receptor CXCR2 reveals probable modes of PDZ2 dimerization. Biochem.Biophys.Res.Commun., 448, 2014
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2I8T
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![BU of 2i8t by Molmil](/molmil-images/mine/2i8t) | GDP-mannose mannosyl hydrolase-calcium-GDP-mannose complex | Descriptor: | CALCIUM ION, GDP-mannose mannosyl hydrolase, GLYCEROL, ... | Authors: | Zou, Y, Li, C, Brunzelle, J.S, Nair, S.K. | Deposit date: | 2006-09-03 | Release date: | 2007-06-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular basis for substrate selectivity and specificity by an LPS biosynthetic enzyme Biochemistry, 46, 2007
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2I8U
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![BU of 2i8u by Molmil](/molmil-images/mine/2i8u) | GDP-mannose mannosyl hydrolase-calcium-GDP product complex | Descriptor: | CALCIUM ION, GDP-mannose mannosyl hydrolase, GUANOSINE-5'-DIPHOSPHATE | Authors: | Zou, Y, Li, C, Brunzelle, J.S, Nair, S.K. | Deposit date: | 2006-09-03 | Release date: | 2007-06-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular basis for substrate selectivity and specificity by an LPS biosynthetic enzyme Biochemistry, 46, 2007
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5EOK
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![BU of 5eok by Molmil](/molmil-images/mine/5eok) | Human Plasma Coagulation Factor XI in complex with peptide P39 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, ... | Authors: | Wong, S.S, Ostergaard, S, Hall, G, Li, C, Williams, P.M, Stennicke, H, Emsley, J. | Deposit date: | 2015-11-10 | Release date: | 2016-04-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A novel DFP tripeptide motif interacts with the coagulation factor XI apple 2 domain. Blood, 127, 2016
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4JL7
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![BU of 4jl7 by Molmil](/molmil-images/mine/4jl7) | Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1 | Descriptor: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-03-12 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structural Insights into Neutrophilic Migration Revealed by the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1. Plos One, 8, 2013
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4LA3
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![BU of 4la3 by Molmil](/molmil-images/mine/4la3) | |