1W28
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![BU of 1w28 by Molmil](/molmil-images/mine/1w28) | Conformational flexibility of the C-terminus with implications for substrate binding and catalysis in a new crystal form of deacetoxycephalosporin C synthase | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-06-30 | Release date: | 2004-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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1W2N
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![BU of 1w2n by Molmil](/molmil-images/mine/1w2n) | Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and ampicillin | Descriptor: | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-07 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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1W2O
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![BU of 1w2o by Molmil](/molmil-images/mine/1w2o) | Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, DEACETOXYCEPHALOSPORIN-C, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-07 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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1W2A
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![BU of 1w2a by Molmil](/molmil-images/mine/1w2a) | Deacetoxycephalosporin C synthase (with his-tag) complexed with Fe(II) and ethylene glycol | Descriptor: | 1,2-ETHANEDIOL, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-01 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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5AKY
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![BU of 5aky by Molmil](/molmil-images/mine/5aky) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 3-(2-phenylethyl)-1H-indazole, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-05 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AK5
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![BU of 5ak5 by Molmil](/molmil-images/mine/5ak5) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-02 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AK6
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![BU of 5ak6 by Molmil](/molmil-images/mine/5ak6) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-02 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKH
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![BU of 5akh by Molmil](/molmil-images/mine/5akh) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AI0
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![BU of 5ai0 by Molmil](/molmil-images/mine/5ai0) | Ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-PHENYL-1,2,5-OXADIAZOL-3-AMINE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-11 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AI6
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![BU of 5ai6 by Molmil](/molmil-images/mine/5ai6) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-BROMOQUINOLINE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5ALE
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![BU of 5ale by Molmil](/molmil-images/mine/5ale) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-chloro-2-isoxazol-5-yl-phenol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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2X24
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![BU of 2x24 by Molmil](/molmil-images/mine/2x24) | bovine ACC2 CT domain in complex with inhibitor | Descriptor: | ACETYL-COA CARBOXYLASE, TERT-BUTYL [(TRANS-4-{[({2-[4-(AMINOMETHYL)PHENYL]QUINOLIN-4-YL}CARBONYL)AMINO]METHYL}CYCLOHEXYL)METHYL]CARBAMATE | Authors: | Oster, L, Folmer, R, Blaho, S, Wiberg, F, Hallberg, K. | Deposit date: | 2010-01-11 | Release date: | 2011-01-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of Small Molecule Inhibitors of Acetyl-Coa Carboxylase 1 and 2 Showing Reduction of Hepatic Malonyl-Coa Levels in Vivo in Obese Zucker Rats. Bioorg.Med.Chem., 19, 2011
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2BM8
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![BU of 2bm8 by Molmil](/molmil-images/mine/2bm8) | CmcI-N160 apo-structure | Descriptor: | CEPHALOSPORIN HYDROXYLASE CMCI | Authors: | Oster, L.M, Lester, D.R, Terwisscha van Scheltinga, A, Svenda, M, Genereux, C, Andersson, I. | Deposit date: | 2005-03-10 | Release date: | 2006-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights Into Cephamycin Biosynthesis: The Crystal Structure of Cmci from Streptomyces Clavuligerus J.Mol.Biol., 358, 2006
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2BR5
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![BU of 2br5 by Molmil](/molmil-images/mine/2br5) | cmcI-N160 SAH | Descriptor: | CEPHALOSPORIN HYDROXYLASE CMCI, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Oster, L.M, Lester, D.R, Terwisscha van Scheltinga, A, svenda, M, Genereux, C, Andersson, I. | Deposit date: | 2005-05-01 | Release date: | 2006-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Insights Into Cephamycin Biosynthesis: The Crystal Structure of Cmci from Streptomyces Clavuligerus. J.Mol.Biol., 358, 2006
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2BR3
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![BU of 2br3 by Molmil](/molmil-images/mine/2br3) | cmcI-D160 Mg | Descriptor: | CEPHALOSPORIN HYDROXYLASE CMCI, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Oster, L.M, Lester, D.R, Terwisscha van Scheltinga, A, Svenda, M, Genereux, C, Andersson, I. | Deposit date: | 2005-05-01 | Release date: | 2006-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Insights Into Cephamycin Biosynthesis: The Crystal Structure of Cmci from Streptomyces Clavuligerus. J.Mol.Biol., 358, 2006
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2BM9
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![BU of 2bm9 by Molmil](/molmil-images/mine/2bm9) | cmcI-N160 in complex with SAM | Descriptor: | CEPHALOSPORIN HYDROXYLASE CMCI, S-ADENOSYLMETHIONINE | Authors: | Oster, L.M, Lester, D.R, Terwisscha Van Scheltinga, A, Svenda, M, Genereux, C, Andersson, I. | Deposit date: | 2005-03-10 | Release date: | 2006-03-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Insights Into Cephamycin Biosynthesis: The Crystal Structure of Cmci from Streptomyces Clavuligerus J.Mol.Biol., 358, 2006
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2BR4
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![BU of 2br4 by Molmil](/molmil-images/mine/2br4) | cmcI-D160 Mg-SAM | Descriptor: | CEPHALOSPORIN HYDROXYLASE CMCI, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Oster, L.M, Lester, D.R, Terwisscha van Scheltinga, A, Svenda, M, Genereux, C, Andersson, I. | Deposit date: | 2005-05-01 | Release date: | 2006-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Insights Into Cephamycin Biosynthesis: The Crystal Structure of Cmci from Streptomyces Clavuligerus. J.Mol.Biol., 358, 2006
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5AM4
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![BU of 5am4 by Molmil](/molmil-images/mine/5am4) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-09 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKI
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![BU of 5aki by Molmil](/molmil-images/mine/5aki) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5ALD
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![BU of 5ald by Molmil](/molmil-images/mine/5ald) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-cyclohexyl-1,3-dihydroindol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AIA
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![BU of 5aia by Molmil](/molmil-images/mine/5aia) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-cyclohexyl-2-hydroxybenzoate, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5ALI
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![BU of 5ali by Molmil](/molmil-images/mine/5ali) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5ALJ
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![BU of 5alj by Molmil](/molmil-images/mine/5alj) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKL
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![BU of 5akl by Molmil](/molmil-images/mine/5akl) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE, SULFATE ION | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5ALO
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![BU of 5alo by Molmil](/molmil-images/mine/5alo) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 3-BENZYL-3-METHYL-5-(1-METHYLPYRAZOL-4-YL)INDOLIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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