1ZHN
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![BU of 1zhn by Molmil](/molmil-images/mine/1zhn) | Crystal Structure of mouse CD1d bound to the self ligand phosphatidylcholine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(DODECANOYLOXY)METHYL]-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-3,5,8-TRIOXA-4-PHOSPHADOTRIACONTAN-1-AMINIUM 4-OXIDE, CD1d1 antigen, ... | Authors: | Giabbai, B, Sidobre, S, Crispin, M.M.D, Sanchez Ruiz, Y, Bachi, A, Kronenberg, M, Wilson, I.A, Degano, M. | Deposit date: | 2005-04-26 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of mouse CD1d bound to the self ligand phosphatidylcholine: a molecular basis for NKT cell activation J.Immunol., 175, 2005
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2B4C
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![BU of 2b4c by Molmil](/molmil-images/mine/2b4c) | Crystal structure of HIV-1 JR-FL gp120 core protein containing the third variable region (V3) complexed with CD4 and the X5 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, T-cell surface glycoprotein CD4, ... | Authors: | Huang, C, Tang, M, Zhang, M.Y, Majeed, S, Montabana, E, Stanfield, R.L, Dimitrov, D.S, Korber, B, Sodroski, J, Wilson, I.A, Wyatt, R, Kwong, P.D. | Deposit date: | 2005-09-23 | Release date: | 2005-11-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of a V3-containing HIV-1 gp120 core. Science, 310, 2005
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2B5T
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![BU of 2b5t by Molmil](/molmil-images/mine/2b5t) | 2.1 Angstrom structure of a nonproductive complex between antithrombin, synthetic heparin mimetic SR123781 and two S195A thrombin molecules | Descriptor: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Johnson, D.J, Li, W, Luis, S.A, Carrell, R.W, Huntington, J.A. | Deposit date: | 2005-09-29 | Release date: | 2006-09-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation. J.Biol.Chem., 281, 2006
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2BGR
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![BU of 2bgr by Molmil](/molmil-images/mine/2bgr) | Crystal structure of HIV-1 Tat derived nonapeptides Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... | Authors: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | Deposit date: | 2005-01-04 | Release date: | 2005-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of HIV-1 Tat-Derived Nonapeptides Tat-(1-9) and Trp2-Tat-(1-9) Bound to the Active Site of Dipeptidyl-Peptidase Iv (Cd26) J.Biol.Chem., 280, 2005
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2C11
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![BU of 2c11 by Molmil](/molmil-images/mine/2c11) | Crystal structure of the 2-hydrazinopyridine of semicarbazide- sensitive amine oxidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... | Authors: | Jakobsson, E, Kleywegt, G.J. | Deposit date: | 2005-09-09 | Release date: | 2006-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of human semicarbazide-sensitive amine oxidase/vascular adhesion protein-1. Acta Crystallogr. D Biol. Crystallogr., 61, 2005
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2ERJ
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![BU of 2erj by Molmil](/molmil-images/mine/2erj) | Crystal structure of the heterotrimeric interleukin-2 receptor in complex with interleukin-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... | Authors: | Debler, E.W, Stauber, D.J, Wilson, I.A. | Deposit date: | 2005-10-25 | Release date: | 2006-02-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the IL-2 signaling complex: Paradigm for a heterotrimeric cytokine receptor. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2FD6
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![BU of 2fd6 by Molmil](/molmil-images/mine/2fd6) | Structure of Human Urokinase Plasminogen Activator in Complex with Urokinase Receptor and an anti-upar antibody at 1.9 A | Descriptor: | 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | Authors: | Huang, M, Huai, Q, Li, Y. | Deposit date: | 2005-12-13 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human urokinase plasminogen activator in complex with its receptor Science, 311, 2006
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2FO4
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![BU of 2fo4 by Molmil](/molmil-images/mine/2fo4) | |
2GYU
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![BU of 2gyu by Molmil](/molmil-images/mine/2gyu) | Crystal structure of Mus musculus Acetylcholinesterase in complex with HI-6 | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | Authors: | Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S. | Deposit date: | 2006-05-10 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates. Biochem.Pharm., 72, 2006
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2GYW
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![BU of 2gyw by Molmil](/molmil-images/mine/2gyw) | Crystal Structure of Mus musculus Acetylcholinesterase in Complex with Obidoxime | Descriptor: | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S. | Deposit date: | 2006-05-10 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates. Biochem.Pharm., 72, 2006
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2H26
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![BU of 2h26 by Molmil](/molmil-images/mine/2h26) | human CD1b in complex with endogenous phosphatidylcholine and spacer | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Garcia-Alles, L.F, Maveyraud, L, Vallina, A.T, Guillet, V, Mourey, L. | Deposit date: | 2006-05-18 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Endogenous phosphatidylcholine and a long spacer ligand stabilize the lipid-binding groove of CD1b. Embo J., 25, 2006
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2H9Y
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![BU of 2h9y by Molmil](/molmil-images/mine/2h9y) | Crystal structure of mouse acetylcholinesterase complexed with m-(N,N,N-trimethylammonio)trifluoroacetophenone | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, HEXAETHYLENE GLYCOL, ... | Authors: | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | Deposit date: | 2006-06-12 | Release date: | 2006-07-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding J.Biol.Chem., 281, 2006
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2HA0
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![BU of 2ha0 by Molmil](/molmil-images/mine/2ha0) | Crystal structure of mouse acetylcholinesterase complexed with 4-ketoamyltrimethylammonium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase, ... | Authors: | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | Deposit date: | 2006-06-12 | Release date: | 2006-07-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding J.Biol.Chem., 281, 2006
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2HA3
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![BU of 2ha3 by Molmil](/molmil-images/mine/2ha3) | Crystal structure of mouse acetylcholinesterase complexed with choline | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHOLINE ION, ... | Authors: | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | Deposit date: | 2006-06-12 | Release date: | 2006-07-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding J.Biol.Chem., 281, 2006
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2HA5
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![BU of 2ha5 by Molmil](/molmil-images/mine/2ha5) | Crystal structure of mutant S203A of acetylcholinesterase complexed with acetylthiocholine | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | Deposit date: | 2006-06-12 | Release date: | 2006-07-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding J.Biol.Chem., 281, 2006
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2IID
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![BU of 2iid by Molmil](/molmil-images/mine/2iid) | Structure of L-amino acid oxidase from Calloselasma rhodostoma in complex with L-phenylalanine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, L-amino-acid oxidase, ... | Authors: | Moustafa, I.M, Foster, S, Lyubimov, A.Y, Vrielink, A. | Deposit date: | 2006-09-27 | Release date: | 2006-10-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of LAAO from Calloselasma rhodostoma with an L-Phenylalanine Substrate: Insights into Structure and Mechanism J.Mol.Biol., 364, 2006
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2OZ4
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![BU of 2oz4 by Molmil](/molmil-images/mine/2oz4) | Structural Plasticity in IgSF Domain 4 of ICAM-1 Mediates Cell Surface Dimerization | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB FRAGMENT LIGHT CHAIN, ... | Authors: | Chen, X, Kim, T.D, Carman, C.V, Mi, L, Song, G, Springer, T.A. | Deposit date: | 2007-02-23 | Release date: | 2007-10-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural plasticity in Ig superfamily domain 4 of ICAM-1 mediates cell surface dimerization. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2WFZ
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![BU of 2wfz by Molmil](/molmil-images/mine/2wfz) | NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | Deposit date: | 2009-04-15 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime. J.Med.Chem., 52, 2009
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2WG1
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![BU of 2wg1 by Molmil](/molmil-images/mine/2wg1) | TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | Deposit date: | 2009-04-15 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime. J.Med.Chem., 52, 2009
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2WG2
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![BU of 2wg2 by Molmil](/molmil-images/mine/2wg2) | NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (ALTERNATIVE REFINEMENT) | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | Deposit date: | 2009-04-15 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime. J.Med.Chem., 52, 2009
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2WSL
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![BU of 2wsl by Molmil](/molmil-images/mine/2wsl) | Aged Form of Human Butyrylcholinesterase Inhibited by Tabun Analogue TA4 | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-09-08 | Release date: | 2009-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
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2XMC
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![BU of 2xmc by Molmil](/molmil-images/mine/2xmc) | G117H mutant of human butyrylcholinesterase in complex with fluoride anion | 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, CHLORIDE ION, ... | Authors: | Nachon, F, Carletti, E, Wandhammer, M, Nicolet, Y, Schopfer, L.M, Masson, P, Lockridge, O. | Deposit date: | 2010-07-27 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, a Nerve Agent Target Engineered Into a Catalytic Bioscavenge Biochem.J., 434, 2011
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2XUI
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![BU of 2xui by Molmil](/molmil-images/mine/2xui) | CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (1 WK) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ... | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | Deposit date: | 2010-10-19 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State J.Am.Chem.Soc., 132, 2010
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2XYD
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![BU of 2xyd by Molmil](/molmil-images/mine/2xyd) | human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ... | Authors: | Akif, M, Schwager, S.L, Anthony, C.S, Czarny, B, Beau, F, Dive, V, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2010-11-17 | Release date: | 2011-05-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Novel Mechanism of Inhibition of Human Angiotensin-I-Converting Enzyme (Ace) by a Highly Specific Phosphinic Tripeptide. Biochem.J., 436, 2011
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2Y1K
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![BU of 2y1k by Molmil](/molmil-images/mine/2y1k) | STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY CBDP (12H SOAK): PHOSPHOSERINE ADDUCT | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLINESTERASE, ... | Authors: | Carletti, E, Colletier, J.P, Nachon, F, Weik, M. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Reaction of Cresyl Saligenin Phosphate, the Organophosphorus Agent Implicated in Aerotoxic Syndrome, with Human Cholinesterases: Mechanistic Studies Employing Kinetics, Mass Spectrometry, and X-Ray Structure Analysis. Chem.Res.Toxicol., 24, 2011
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