3E7T
 
 | | Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 | | Descriptor: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E6L
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C132283 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E67
 | | Murine inos dimer with inhibitor 4-MAP bound | | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E6T
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C118901 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3EBF
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-27 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3EBD
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-27 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E6N
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C125813 | | Descriptor: | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3EAI
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-25 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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1JCO
 | | Solution structure of the monomeric [Thr(B27)->Pro,Pro(B28)->Thr] insulin mutant (PT insulin) | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Keller, D, Clausen, R, Josefsen, K, Led, J.J. | | Deposit date: | 2001-06-11 | | Release date: | 2001-10-03 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Flexibility and bioactivity of insulin: an NMR investigation of the solution structure and folding of an unusually flexible human insulin mutant with increased biological activity.
Biochemistry, 40, 2001
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2LUR
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2FJN
 | | The structure of phosphotyrosine phosphatase 1B in complex with compound 2 | | Descriptor: | (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID, CHLORIDE ION, Tyrosine-protein phosphatase, ... | | Authors: | Asante-Appiah, E, Patel, S, Desponts, C, Taylor, J.M, Lau, C, Dufresne, C, Therien, M, Friesen, R, Becker, J.W, Leblanc, Y, Kennedy, B.P, Scapin, G. | | Deposit date: | 2006-01-03 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase.
J.Biol.Chem., 281, 2006
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3IOJ
 | | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with UDP | | Descriptor: | GLYCEROL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Pesnot, T, Jorgensen, R, Palcic, M.M, Wagner, G.K. | | Deposit date: | 2009-08-14 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Structural and mechanistic basis for a new mode of glycosyltransferase inhibition.
Nat.Chem.Biol., 6, 2010
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2BVN
 | | E. coli EF-Tu:GDPNP in complex with the antibiotic enacyloxin IIa | | Descriptor: | ELONGATION FACTOR TU, ENACYLOXIN IIA, MAGNESIUM ION, ... | | Authors: | Parmeggiani, A, Krab, I.M, Watanabe, T, Nielsen, R.C, Dahlberg, C, Nyborg, J, Nissen, P. | | Deposit date: | 2005-06-30 | | Release date: | 2005-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enacyloxin Iia Pinpoints a Binding Pocket of Elongation Factor TU for Development of Novel Antibiotics.
J.Biol.Chem., 281, 2006
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2JUY
 | | NMR ensemble of Neopetrosiamide A | | Descriptor: | Neopetrosiamide A | | Authors: | Austin, P, Williams, D.E, Heller, M, McIntosh, L.P, Andersen, R.J, Roberge, M, Roskelley, C.D. | | Deposit date: | 2007-09-05 | | Release date: | 2008-08-26 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | NMR ensemble of Neopetrosiamide A
To be Published
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1S5Q
 | | Solution Structure of Mad1 SID-mSin3A PAH2 Complex | | Descriptor: | MAD protein, Sin3a protein | | Authors: | Swanson, K.A, Knoepfler, P.S, Huang, K, Kang, R.S, Cowley, S.M, Laherty, C.D, Eisenman, R.N, Radhakrishnan, I. | | Deposit date: | 2004-01-21 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | HBP1 and Mad1 repressors bind the Sin3 corepressor PAH2 domain with opposite helical orientations.
Nat.Struct.Mol.Biol., 11, 2004
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1S5R
 | | Solution Structure of HBP1 SID-mSin3A PAH2 Complex | | Descriptor: | Sin3a protein, high mobility group box transcription factor 1 | | Authors: | Swanson, K.A, Knoepfler, P.S, Huang, K, Kang, R.S, Cowley, S.M, Laherty, C.D, Eisenman, R.N, Radhakrishnan, I. | | Deposit date: | 2004-01-21 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | HBP1 and Mad1 repressors bind the Sin3 corepressor PAH2 domain with opposite helical orientations.
Nat.Struct.Mol.Biol., 11, 2004
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1R6Z
 | | The Crystal Structure of the Argonaute2 PAZ domain (as a MBP fusion) | | Descriptor: | Chimera of Maltose-binding periplasmic protein and Argonaute 2, NICKEL (II) ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Song, J.J, Liu, J, Tolia, N.H, Schneiderman, J, Smith, S.K, Martienssen, R.A, Hannon, G.J, Joshua-Tor, L. | | Deposit date: | 2003-10-17 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystal structure of the Argonaute2 PAZ domain reveals an RNA binding motif in RNAi effector complexes.
Nat.Struct.Biol., 10, 2003
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1G1S
 | | P-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH PSGL-1 PEPTIDE | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[beta-D-galactopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-galactopyranose, P-SELECTIN, ... | | Authors: | Somers, W.S, Camphausen, R.T. | | Deposit date: | 2000-10-13 | | Release date: | 2001-10-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
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1K64
 | | NMR Structue of alpha-conotoxin EI | | Descriptor: | alpha-conotoxin EI | | Authors: | Park, K.H, Suk, J.E, Jacobsen, R, Gray, W.R, McIntosh, J.M, Han, K.H. | | Deposit date: | 2001-10-15 | | Release date: | 2003-09-09 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution conformation of alpha-conotoxin EI, a neuromuscular toxin specific for the alpha 1/delta subunit interface of torpedo nicotinic acetylcholine receptor
J.BIOL.CHEM., 276, 2001
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1MOX
 | | Crystal Structure of Human Epidermal Growth Factor Receptor (residues 1-501) in complex with TGF-alpha | | 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: | Garrett, T.P.J, McKern, N.M, Lou, M, Elleman, T.C, Adams, T.E, Lovrecz, G.O, Zhu, H.-J, Walker, F, Frenkel, M.J, Hoyne, P.A, Jorissen, R.N, Nice, E.C, Burgess, A.W, Ward, C.W. | | Deposit date: | 2002-09-10 | | Release date: | 2003-09-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of a Truncated Epidermal Growth Factor Receptor Extracellular Domain Bound to Transforming Growth Factor alpha
Cell(Cambridge,Mass.), 110, 2002
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1L2G
 | | Structure of a C-terminally truncated form of glycoprotein D from HSV-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein D | | Authors: | Carfi, A, Willis, S.H, Whitbeck, J.C, Krummenacher, C, Cohen, G.H, Eisenberg, R.J, Wiley, D.C. | | Deposit date: | 2002-02-21 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Herpes simplex virus glycoprotein D bound to the human receptor HveA.
Mol.Cell, 8, 2001
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1G1Q
 | | Crystal structure of P-selectin lectin/EGF domains | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, P-SELECTIN | | Authors: | Somers, W.S, Camphausen, R.T. | | Deposit date: | 2000-10-13 | | Release date: | 2001-10-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
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1G1T
 | | CRYSTAL STRUCTURE OF E-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH SLEX | | Descriptor: | CALCIUM ION, E-SELECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | | Authors: | Somers, W.S, Camphausen, R.T. | | Deposit date: | 2000-10-13 | | Release date: | 2001-10-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
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1G1R
 | | Crystal structure of P-selectin lectin/EGF domains complexed with SLeX | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ... | | Authors: | Somers, W.S, Camphausen, R.T. | | Deposit date: | 2000-10-13 | | Release date: | 2001-10-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
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1G1E
 | | NMR STRUCTURE OF THE HUMAN MAD1 TRANSREPRESSION DOMAIN SID IN COMPLEX WITH MAMMALIAN SIN3A PAH2 DOMAIN | | Descriptor: | MAD1 PROTEIN, SIN3A | | Authors: | Brubaker, K, Cowley, S.M, Huang, K, Eisenman, R.N, Radhakrishnan, I. | | Deposit date: | 2000-10-11 | | Release date: | 2000-12-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the interacting domains of the Mad-Sin3 complex: implications for recruitment of a chromatin-modifying complex.
Cell(Cambridge,Mass.), 103, 2000
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