5QI5
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![BU of 5qi5 by Molmil](/molmil-images/mine/5qi5) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000633a | Descriptor: | 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QHP
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![BU of 5qhp by Molmil](/molmil-images/mine/5qhp) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000554a | Descriptor: | 1,2-ETHANEDIOL, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, Protein FAM83B | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | Deposit date: | 2018-05-18 | Release date: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QI1
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![BU of 5qi1 by Molmil](/molmil-images/mine/5qi1) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000474a | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QHX
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![BU of 5qhx by Molmil](/molmil-images/mine/5qhx) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000278a | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QHL
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![BU of 5qhl by Molmil](/molmil-images/mine/5qhl) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000551a | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B, ... | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | Deposit date: | 2018-05-18 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QI9
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![BU of 5qi9 by Molmil](/molmil-images/mine/5qi9) | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000711a | Descriptor: | (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QHT
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![BU of 5qht by Molmil](/molmil-images/mine/5qht) | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000065a | Descriptor: | 2-methoxy-4-morpholin-4-yl-aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QHR
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![BU of 5qhr by Molmil](/molmil-images/mine/5qhr) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000635a | Descriptor: | 1,2-ETHANEDIOL, N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine, Protein FAM83B | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | Deposit date: | 2018-05-18 | Release date: | 2018-12-19 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QI8
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![BU of 5qi8 by Molmil](/molmil-images/mine/5qi8) | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000605a | Descriptor: | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QI2
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![BU of 5qi2 by Molmil](/molmil-images/mine/5qi2) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000110a | Descriptor: | 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QIA
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![BU of 5qia by Molmil](/molmil-images/mine/5qia) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000242a | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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1GHE
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![BU of 1ghe by Molmil](/molmil-images/mine/1ghe) | CRYSTAL STRUCTURE OF TABTOXIN RESISTANCE PROTEIN COMPLEXED WITH AN ACYL COENZYME A | Descriptor: | ACETYL COENZYME *A, ACETYLTRANSFERASE | Authors: | He, H, Ding, Y, Bartlam, M, Sun, F, Le, Y, Qin, X, Tang, H, Zhang, R, Joachimiak, A, Liu, Y, Zhao, N, Rao, Z. | Deposit date: | 2000-12-13 | Release date: | 2003-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Tabtoxin Resistance Protein Complexed with Acetyl
Coenzyme A Reveals the Mechanism for beta-Lactam Acetylation J.Mol.Biol., 325, 2003
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1FYG
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![BU of 1fyg by Molmil](/molmil-images/mine/1fyg) | |
4ZHQ
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![BU of 4zhq by Molmil](/molmil-images/mine/4zhq) | Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-04-26 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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4ZI7
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![BU of 4zi7 by Molmil](/molmil-images/mine/4zi7) | CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-04-27 | Release date: | 2016-07-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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4ZOL
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![BU of 4zol by Molmil](/molmil-images/mine/4zol) | Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex | Descriptor: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-05-06 | Release date: | 2016-07-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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5B63
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![BU of 5b63 by Molmil](/molmil-images/mine/5b63) | Crystal structures of E.coli arginyl-tRNA synthetase (ArgRS) in complex with substrate tRNA(Arg) | Descriptor: | Arginine--tRNA ligase, tRNA-Arg | Authors: | Zhou, M, Ye, S, Stephen, P, Zhang, R, Wang, E.D, Giege, R, Lin, S.X. | Deposit date: | 2016-05-24 | Release date: | 2017-05-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of E.coli arginyl-tRNA synthetase (ArgRS) in complex with substrate tRNA(Arg) To Be Published
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1JV2
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![BU of 1jv2 by Molmil](/molmil-images/mine/1jv2) | CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHAVBETA3 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xiong, J.P, Stehle, T, Diefenbach, B, Zhang, R, Dunker, R, Scott, D, Joachimiak, A, Goodman, S.L, Arnaout, M.A. | Deposit date: | 2001-08-28 | Release date: | 2001-10-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the extracellular segment of integrin alpha Vbeta3. Science, 294, 2001
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1L6Z
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![BU of 1l6z by Molmil](/molmil-images/mine/1l6z) | CRYSTAL STRUCTURE OF MURINE CEACAM1A[1,4]: A CORONAVIRUS RECEPTOR AND CELL ADHESION MOLECULE IN THE CEA FAMILY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, biliary glycoprotein C | Authors: | Tan, K, Zelus, B.D, Meijers, R, Liu, J.-H, Bergelson, J.M, Duke, N, Zhang, R, Joachimiak, A, Holmes, K.V, Wang, J.-H. | Deposit date: | 2002-03-14 | Release date: | 2002-09-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | CRYSTAL STRUCTURE OF MURINE sCEACAM1a[1,4]: A CORONAVIRUS RECEPTOR IN THE CEA FAMILY Embo J., 21, 2002
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3ZOA
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![BU of 3zoa by Molmil](/molmil-images/mine/3zoa) | The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis in complex with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D. | Deposit date: | 2013-02-21 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode. Glycobiology, 23, 2013
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1NEZ
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![BU of 1nez by Molmil](/molmil-images/mine/1nez) | The Crystal Structure of a TL/CD8aa Complex at 2.1A resolution:Implications for Memory T cell Generation, Co-receptor Preference and Affinity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, Y, Xiong, Y, Naidenko, O.V, Liu, J.H, Zhang, R, Joachimiak, A, Kronenberg, M, Cheroutre, H, Reinherz, E.L, Wang, J.H. | Deposit date: | 2002-12-12 | Release date: | 2003-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of a TL/CD8alphaalpha Complex at 2.1 A resolution: Implications for modulation of T cell activation and memory Immunity, 18, 2003
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1NRW
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![BU of 1nrw by Molmil](/molmil-images/mine/1nrw) | The structure of a HALOACID DEHALOGENASE-LIKE HYDROLASE FROM B. SUBTILIS | Descriptor: | CALCIUM ION, PHOSPHATE ION, hypothetical protein, ... | Authors: | Cuff, M.E, Kim, Y, Zhang, R, Joachimiak, A, Collart, F, Quartey, P, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-01-25 | Release date: | 2003-07-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of a HALOACID DEHALOGENASE-LIKE HYDROLASE FROM B. SUBTILIS To be Published
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3ZO9
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![BU of 3zo9 by Molmil](/molmil-images/mine/3zo9) | The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis | Descriptor: | CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D. | Deposit date: | 2013-02-21 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode. Glycobiology, 23, 2013
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1P53
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![BU of 1p53 by Molmil](/molmil-images/mine/1p53) | The Crystal Structure of ICAM-1 D3-D5 fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Intercellular adhesion molecule-1 | Authors: | Yang, Y, Jun, C.D, Liu, J.H, Zhang, R, Jochimiak, A, Springer, T.A, Wang, J.H. | Deposit date: | 2003-04-24 | Release date: | 2004-05-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structural basis for dimerization of ICAM-1 on the cell surface. Mol.Cell, 14, 2004
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3HTP
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![BU of 3htp by Molmil](/molmil-images/mine/3htp) | the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTa | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y. | Deposit date: | 2009-06-12 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | The hemagglutinin structure of an avian H1N1 influenza A virus Virology, 392, 2009
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