3PAH
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![BU of 3pah by Molmil](/molmil-images/mine/3pah) | HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND ADRENALINE INHIBITOR | Descriptor: | 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol, FE (III) ION, PHENYLALANINE HYDROXYLASE | Authors: | Erlandsen, H, Flatmark, T, Stevens, R.C. | Deposit date: | 1998-08-20 | Release date: | 1999-04-27 | Last modified: | 2013-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution. Biochemistry, 37, 1998
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3PBL
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![BU of 3pbl by Molmil](/molmil-images/mine/3pbl) | Structure of the human dopamine D3 receptor in complex with eticlopride | Descriptor: | 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide, D(3) dopamine receptor, Lysozyme chimera, ... | Authors: | Chien, E.Y.T, Liu, W, Han, G.W, Katritch, V, Zhao, Q, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-10-20 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of the human dopamine d3 receptor in complex with a d2/d3 selective antagonist. Science, 330, 2010
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3OE6
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![BU of 3oe6 by Molmil](/molmil-images/mine/3oe6) | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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3OE8
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![BU of 3oe8 by Molmil](/molmil-images/mine/3oe8) | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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3OJ8
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![BU of 3oj8 by Molmil](/molmil-images/mine/3oj8) | Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain | Descriptor: | (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol, CHLORIDE ION, Fatty-acid amide hydrolase 1 | Authors: | Mileni, M, Stevens, R.C, Boger, D.L. | Deposit date: | 2010-08-20 | Release date: | 2011-07-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain J.Med.Chem., 54, 2011
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3PR0
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![BU of 3pr0 by Molmil](/molmil-images/mine/3pr0) | Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | Descriptor: | 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C. | Deposit date: | 2010-11-29 | Release date: | 2011-11-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase. J.Am.Chem.Soc., 133, 2011
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3PPM
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![BU of 3ppm by Molmil](/molmil-images/mine/3ppm) | Crystal Structure of a Noncovalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | Descriptor: | 1-DODECANOL, 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, CHLORIDE ION, ... | Authors: | Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C. | Deposit date: | 2010-11-24 | Release date: | 2011-11-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase. J.Am.Chem.Soc., 133, 2011
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3ODU
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![BU of 3odu by Molmil](/molmil-images/mine/3odu) | The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-11 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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3POY
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![BU of 3poy by Molmil](/molmil-images/mine/3poy) | Crystal Structure of the alpha-Neurexin-1 ectodomain, LNS 2-6 | Descriptor: | Neurexin-1-alpha, beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Miller, M.T, Mileni, M, Comoletti, D, Stevens, R.C, Harel, M, Taylor, P. | Deposit date: | 2010-11-23 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | The crystal structure of the alpha-neurexin-1 extracellular region reveals a hinge point for mediating synaptic adhesion and function. Structure, 19, 2011
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3QIY
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![BU of 3qiy by Molmil](/molmil-images/mine/3qiy) | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1 | Descriptor: | 1,2-ETHANEDIOL, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, Botulinum neurotoxin type A, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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3QJ0
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![BU of 3qj0 by Molmil](/molmil-images/mine/3qj0) | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3 | Descriptor: | (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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3QIZ
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![BU of 3qiz by Molmil](/molmil-images/mine/3qiz) | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2 | Descriptor: | (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, Botulinum neurotoxin type A, DI(HYDROXYETHYL)ETHER, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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2IDY
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![BU of 2idy by Molmil](/molmil-images/mine/2idy) | NMR Structure of the SARS-CoV non-structural protein nsp3a | Descriptor: | NSP3 | Authors: | Serrano, P, Almeida, M.S, Johnson, M.A, Horst, R, Herrmann, T, Joseph, J, Saikatendu, K, Subramanian, V, Stevens, R.C, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2006-09-15 | Release date: | 2006-12-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structure of the N-terminal domain of nonstructural protein 3 from the severe acute respiratory syndrome coronavirus. J.Virol., 81, 2007
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2GRI
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![BU of 2gri by Molmil](/molmil-images/mine/2gri) | NMR Structure of the SARS-CoV non-structural protein nsp3a | Descriptor: | NSP3 | Authors: | Serrano, P, Almeida, M.S, Johnson, M.A, Herrmann, T, Saikatendu, K.S, Joseph, J, Subramanian, V, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2006-04-24 | Release date: | 2006-12-19 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structure of the N-terminal domain of nonstructural protein 3 from the severe acute respiratory syndrome coronavirus. J.Virol., 81, 2007
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3QIX
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![BU of 3qix by Molmil](/molmil-images/mine/3qix) | Crystal Structure of BoNT/A LC with Zinc bound | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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3V2W
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![BU of 3v2w by Molmil](/molmil-images/mine/3v2w) | Crystal Structure of a Lipid G protein-Coupled Receptor at 3.35A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera, ... | Authors: | Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2011-12-12 | Release date: | 2012-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Crystal structure of a lipid G protein-coupled receptor. Science, 335, 2012
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3V2Y
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![BU of 3v2y by Molmil](/molmil-images/mine/3v2y) | Crystal Structure of a Lipid G protein-Coupled Receptor at 2.80A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera (E.C.3.2.1.17), ... | Authors: | Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2011-12-12 | Release date: | 2012-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a lipid G protein-coupled receptor. Science, 335, 2012
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2HSX
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![BU of 2hsx by Molmil](/molmil-images/mine/2hsx) | NMR Structure of the nonstructural protein 1 (nsp1) from the SARS coronavirus | Descriptor: | Leader protein; p65 homolog; NSP1 (EC 3.4.22.-) | Authors: | Almeida, M.S, Herrmann, T, Geralt, M, Johnson, M.A, Saikatendu, K, Joseph, J, Subramanian, R.C, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2006-07-24 | Release date: | 2007-02-06 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Novel beta-barrel fold in the nuclear magnetic resonance structure of the replicase nonstructural protein 1 from the severe acute respiratory syndrome coronavirus. J.Virol., 81, 2007
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1AJ7
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![BU of 1aj7 by Molmil](/molmil-images/mine/1aj7) | IMMUNOGLOBULIN 48G7 GERMLINE FAB ANTIBODY COMPLEXED WITH HAPTEN 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID. AFFINITY MATURATION OF AN ESTEROLYTIC ANTIBODY | Descriptor: | 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID, IMMUNOGLOBULIN 48G7 FAB (HEAVY CHAIN), IMMUNOGLOBULIN 48G7 FAB (LIGHT CHAIN) | Authors: | Wedemayer, G.J, Wang, L.H, Patten, P.A, Schultz, P.G, Stevens, R.C. | Deposit date: | 1997-05-15 | Release date: | 1997-11-12 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into the evolution of an antibody combining site. Science, 276, 1997
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1E74
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![BU of 1e74 by Molmil](/molmil-images/mine/1e74) | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT R11E | Descriptor: | ALPHA-CONOTOXIN IM1(R11E) | Authors: | Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C. | Deposit date: | 2000-08-24 | Release date: | 2000-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist J.Mol.Biol., 304, 2000
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1E76
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![BU of 1e76 by Molmil](/molmil-images/mine/1e76) | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT D5N | Descriptor: | ALPHA-CONOTOXIN IM1(D5N) | Authors: | Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C. | Deposit date: | 2000-08-24 | Release date: | 2000-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist J.Mol.Biol., 304, 2000
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1E75
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![BU of 1e75 by Molmil](/molmil-images/mine/1e75) | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT R7L | Descriptor: | ALPHA-CONOTOXIN IM1(R7L) | Authors: | Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C. | Deposit date: | 2000-08-24 | Release date: | 2000-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist J.Mol.Biol., 304, 2000
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3IQS
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![BU of 3iqs by Molmil](/molmil-images/mine/3iqs) | Crystal structure of the anti-viral APOBEC3G catalytic domain | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | Authors: | Holden, L.G, Prochnow, C, Chang, Y.P, Bransteitter, R, Chelico, L, Sen, U, Stevens, R.C, Goodman, R.F, Chen, X.S. | Deposit date: | 2009-08-20 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the anti-viral APOBEC3G catalytic domain and functional implications. Nature, 456, 2008
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1FL6
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![BU of 1fl6 by Molmil](/molmil-images/mine/1fl6) | THE HAPTEN COMPLEXED GERMLINE PRECURSOR TO SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4 | Descriptor: | 1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID, ANTIBODY GERMLINE PRECURSOR TO 28B4 | Authors: | Yin, J, Mundorff, E.C, Yang, P.L, Wendt, K.U, Hanway, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2000-08-11 | Release date: | 2001-11-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A comparative analysis of the immunological evolution of antibody 28B4. Biochemistry, 40, 2001
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1FL5
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![BU of 1fl5 by Molmil](/molmil-images/mine/1fl5) | THE UNLIGANDED GERMLINE PRECURSOR TO THE SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4. | Descriptor: | ANTIBODY GERMLINE PRECURSOR TO ANTIBODY 28B4, SULFATE ION | Authors: | Yin, J, Mundorff, E.C, Yang, P.L, Wendt, K.U, Hanway, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2000-08-11 | Release date: | 2001-11-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A comparative analysis of the immunological evolution of antibody 28B4. Biochemistry, 40, 2001
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