1C7J
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![BU of 1c7j by Molmil](/molmil-images/mine/1c7j) | PNB ESTERASE 56C8 | Descriptor: | POTASSIUM ION, PROTEIN (PARA-NITROBENZYL ESTERASE), SULFATE ION | Authors: | Spiller, B, Gershenson, A, Arnold, F, Stevens, R.C. | Deposit date: | 2000-02-21 | Release date: | 2000-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A structural view of evolutionary divergence. Proc.Natl.Acad.Sci.USA, 96, 1999
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1D6V
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![BU of 1d6v by Molmil](/molmil-images/mine/1d6v) | CONFORMATION EFFECTS IN BIOLOGICAL CATALYSIS INTRODUCED BY OXY-COPE ANTIBODY MATURATION | Descriptor: | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL, CADMIUM ION, CHIMERIC GERMLINE PRECURSOR OF OXY-COPE CATALYTIC ANTIBODY AZ-28 (HEAVY CHAIN), ... | Authors: | Mundorff, E.C, Hanson, M.A, Schultz, P.G, Stevens, R.C. | Deposit date: | 1999-10-15 | Release date: | 2000-02-09 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational effects in biological catalysis: an antibody-catalyzed oxy-cope rearrangement. Biochemistry, 39, 2000
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1LTU
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![BU of 1ltu by Molmil](/molmil-images/mine/1ltu) | CRYSTAL STRUCTURE OF CHROMOBACTERIUM VIOLACEUM, APO (NO IRON BOUND) STRUCTURE | Descriptor: | PHENYLALANINE-4-HYDROXYLASE | Authors: | Erlandsen, H, Kim, J.Y, Patch, M.G, Han, A, Volner, A, Abu-Omar, M.M, Stevens, R.C. | Deposit date: | 2002-05-20 | Release date: | 2002-07-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural comparison of bacterial and human iron-dependent phenylalanine hydroxylases: similar fold, different stability and reaction rates. J.Mol.Biol., 320, 2002
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1LTZ
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![BU of 1ltz by Molmil](/molmil-images/mine/1ltz) | CRYSTAL STRUCTURE OF CHROMOBACTERIUM VIOLACEUM PHENYLALANINE HYDROXYLASE, STRUCTURE HAS BOUND IRON (III) AND OXIDIZED COFACTOR 7,8-DIHYDROBIOPTERIN | Descriptor: | 7,8-DIHYDROBIOPTERIN, CHLORIDE ION, FE (III) ION, ... | Authors: | Erlandsen, H, Kim, J.Y, Patch, M.G, Han, A, Volner, A, Abu-Omar, M.M, Stevens, R.C. | Deposit date: | 2002-05-21 | Release date: | 2002-07-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural comparison of bacterial and human iron-dependent phenylalanine hydroxylases: similar fold, different stability and reaction rates. J.Mol.Biol., 320, 2002
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1A4J
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![BU of 1a4j by Molmil](/molmil-images/mine/1a4j) | DIELS ALDER CATALYTIC ANTIBODY GERMLINE PRECURSOR | Descriptor: | IMMUNOGLOBULIN, DIELS ALDER CATALYTIC ANTIBODY (HEAVY CHAIN), DIELS ALDER CATALYTIC ANTIBODY (LIGHT CHAIN) | Authors: | Spiller, B.W, Romesburg, F.E, Schultz, P.G, Stevens, R.C. | Deposit date: | 1998-01-30 | Release date: | 1998-05-13 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Immunological origins of binding and catalysis in a Diels-Alderase antibody. Science, 279, 1998
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1D5B
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![BU of 1d5b by Molmil](/molmil-images/mine/1d5b) | UNLIGANDED MATURE OXY-COPE CATALYTIC ANTIBODY | Descriptor: | CADMIUM ION, chimeric OXY-COPE catalytic ANTIBODY AZ-28 (HEAVY chain), chimeric OXY-COPE catalytic ANTIBODY AZ-28 (light chain) | Authors: | Mundorff, E.C, Hanson, M.A, Schultz, P.G, Stevens, R.C. | Deposit date: | 1999-10-06 | Release date: | 2000-02-09 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational effects in biological catalysis: an antibody-catalyzed oxy-cope rearrangement. Biochemistry, 39, 2000
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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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1D5I
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![BU of 1d5i by Molmil](/molmil-images/mine/1d5i) | UNLIGANDED GERMLINE PRECURSOR OF AN OXY-COPE CATALYTIC ANTIBODY | Descriptor: | CADMIUM ION, CHIMERIC GERMLINE PRECURSOR OF OXY-COPE CATALYTIC ANTIBODY AZ-28 (HEAVY CHAIN), CHIMERIC GERMLINE PRECURSOR OF OXY-COPE CATALYTIC ANTIBODY AZ-28 (LIGHT CHAIN) | Authors: | Mundorff, E.C, Hanson, M.A, Schultz, P.G, Stevens, R.C. | Deposit date: | 1999-10-07 | Release date: | 2000-02-09 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational effects in biological catalysis: an antibody-catalyzed oxy-cope rearrangement. Biochemistry, 39, 2000
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1LTV
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![BU of 1ltv by Molmil](/molmil-images/mine/1ltv) | CRYSTAL STRUCTURE OF CHROMOBACTERIUM VIOLACEUM PHENYLALANINE HYDROXYLASE, STRUCTURE WITH BOUND OXIDIZED Fe(III) | Descriptor: | FE (III) ION, PHENYLALANINE-4-HYDROXYLASE | Authors: | Erlandsen, H, Kim, J.Y, Patch, M.G, Han, A, Volner, A, Abu-Omar, M.M, Stevens, R.C. | Deposit date: | 2002-05-20 | Release date: | 2002-07-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural comparison of bacterial and human iron-dependent phenylalanine hydroxylases: similar fold, different stability and reaction rates. J.Mol.Biol., 320, 2002
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1KEM
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![BU of 1kem by Molmil](/molmil-images/mine/1kem) | |
1KEL
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![BU of 1kel by Molmil](/molmil-images/mine/1kel) | |
1MLW
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![BU of 1mlw by Molmil](/molmil-images/mine/1mlw) | Crystal structure of human tryptophan hydroxylase with bound 7,8-dihydro-L-biopterin cofactor and Fe(III) | Descriptor: | 7,8-DIHYDROBIOPTERIN, FE (III) ION, Tryptophan 5-monooxygenase | Authors: | Wang, L, Erlandsen, H, Haavik, J, Knappskog, P.M, Stevens, R.C. | Deposit date: | 2002-08-31 | Release date: | 2002-12-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Three-dimensional structure of human tryptophan hydroxylase and its implications for the biosynthesis of the neurotransmitters serotonin and melatonin Biochemistry, 41, 2002
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1NGY
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![BU of 1ngy by Molmil](/molmil-images/mine/1ngy) | Chimeric Mature Fab 7g12-Apo | Descriptor: | Mature Metal Chelatase Catalytic Antibody, Heavy chain, Light chain | Authors: | Yin, J, Andryski, S.A, Beuscher, A.B, Stevens, R.C, Schultz, P.G. | Deposit date: | 2002-12-18 | Release date: | 2003-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural evidence for substrate strain in antibody catalysis Proc.Natl.Acad.Sci.USA, 100, 2003
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1NGX
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![BU of 1ngx by Molmil](/molmil-images/mine/1ngx) | Chimeric Germline Fab 7g12 with jeffamine fragment bound | Descriptor: | Germline Metal Chelatase Catalytic Antibody, Heavy chain, Light chain, ... | Authors: | Yin, J, Andryski, S.E, Beuscher, A.B, Stevens, R.C, Schultz, P.G. | Deposit date: | 2002-12-18 | Release date: | 2003-03-18 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural evidence for substrate strain in antibody catalysis Proc.Natl.Acad.Sci.USA, 100, 2003
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1N7M
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![BU of 1n7m by Molmil](/molmil-images/mine/1n7m) | Germline 7G12 with N-methylmesoporphyrin | Descriptor: | Germline Metal Chelatase Catalytic Antibody, chain H, chain L, ... | Authors: | Yin, J, Andryski, S.E, Beuscher IV, A.E, Stevens, R.C, Schultz, P.G. | Deposit date: | 2002-11-15 | Release date: | 2003-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural evidence for substrate strain in antibody catalysis Proc.Natl.Acad.Sci.USA, 100, 2003
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1NGW
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![BU of 1ngw by Molmil](/molmil-images/mine/1ngw) | Chimeric Affinity Matured Fab 7g12 complexed with mesoporphyrin | Descriptor: | Mature Metal Chelatase Catalytic Antibody, Heavy chain, Light chain, ... | Authors: | Yin, J, Andryski, S.E, Beuscher IV, A.E, Stevens, R.C, Schultz, P.G. | Deposit date: | 2002-12-18 | Release date: | 2003-02-04 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural evidence for substrate strain in antibody catalysis Proc.Natl.Acad.Sci.USA, 100, 2003
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1NGZ
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![BU of 1ngz by Molmil](/molmil-images/mine/1ngz) | Chimeric Germline Fab 7g12-apo | Descriptor: | Germline Metal Chelatase Catalytic Antibody, Heavy chain, Light chain | Authors: | Yin, J, Andryski, S.A, Beuscher, A.B, Stevens, R.C, Schultz, P.G. | Deposit date: | 2002-12-18 | Release date: | 2003-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural evidence for substrate strain in antibody catalysis Proc.Natl.Acad.Sci.USA, 100, 2003
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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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2TOH
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![BU of 2toh by Molmil](/molmil-images/mine/2toh) | TYROSINE HYDROXYLASE CATALYTIC AND TETRAMERIZATION DOMAINS FROM RAT | Descriptor: | 7,8-DIHYDROBIOPTERIN, CHLORIDE ION, FE (III) ION, ... | Authors: | Goodwill, K.E, Sabatier, C, Stevens, R.C. | Deposit date: | 1998-08-26 | Release date: | 1999-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of tyrosine hydroxylase with bound cofactor analogue and iron at 2.3 A resolution: self-hydroxylation of Phe300 and the pterin-binding site. Biochemistry, 37, 1998
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2WJ2
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![BU of 2wj2 by Molmil](/molmil-images/mine/2wj2) | 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(5-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole | Descriptor: | 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION, FATTY ACID AMIDE HYDROLASE 1 | Authors: | Mileni, M, Garfunkle, J, DeMartino, J.K, Cravatt, B.F, Boger, D.L, Stevens, R.C. | Deposit date: | 2009-05-19 | Release date: | 2009-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Binding and Inactivation Mechanism of a Humanized Fatty Acid Amide Hydrolase by Alpha-Ketoheterocycle Inhibitors Revealed from Cocrystal Structures. J.Am.Chem.Soc., 131, 2009
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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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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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2WJ1
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![BU of 2wj1 by Molmil](/molmil-images/mine/2wj1) | 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(4-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole | Descriptor: | 7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1 | Authors: | Mileni, M, Garfunkle, J, DeMartino, J.K, Cravatt, B.F, Boger, D.L, Stevens, R.C. | Deposit date: | 2009-05-19 | Release date: | 2009-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Binding and Inactivation Mechanism of a Humanized Fatty Acid Amide Hydrolase by Alpha-Ketoheterocycle Inhibitors Revealed from Cocrystal Structures. J.Am.Chem.Soc., 131, 2009
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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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