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5ALT
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BU of 5alt by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine, 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 (2.15 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALN
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BU of 5aln by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 5-(4-FLUOROPHENYL)-3,3-DIMETHYL-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
5ALU
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BU of 5alu by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide, 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 (1.87 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALV
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BU of 5alv by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 3-(3-fluorophenyl)-1H-pyrazole, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
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 (1.8 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALZ
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BU of 5alz by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
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 (2.3 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALX
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BU of 5alx by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide, 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 (2.23 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALQ
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BU of 5alq by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
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 (2.78 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALY
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BU of 5aly by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile, 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 (1.9 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALR
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BU of 5alr by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE, SULFATE ION
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 (2.6 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALW
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BU of 5alw by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 5-[2-(4-methylphenyl)sulfanylethanoyl]-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 (2.2 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALP
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BU of 5alp by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, 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 (2.06 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AM0
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BU of 5am0 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-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 (1.88 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AM2
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BU of 5am2 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 7-METHYL-2H-ISOQUINOLIN-1-ONE, 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 (1.7 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AM3
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BU of 5am3 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
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 (2.2 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
1QJ3
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BU of 1qj3 by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase in complex with 7-keto-8-aminopelargonic acid
Descriptor: 7,8-DIAMINOPELARGONIC ACID SYNTHASE, 7-KETO-8-AMINOPELARGONIC ACID, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Kaeck, H, Sandmark, J, Gibson, K.J, Lindqvist, Y, Schneider, G.
Deposit date:1999-06-21
Release date:2000-06-22
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Diaminopelargonic Acid Synthase; Evolutionary Relationships between Pyridoxal-5'-Phosphate Dependent Enzymes
J.Mol.Biol., 291, 1999
1A82
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BU of 1a82 by Molmil
DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX WITH SUBSTRATES ATP AND DIAMINOPELARGONIC ACID
Descriptor: 7,8-DIAMINO-NONANOIC ACID, ADENOSINE-5'-TRIPHOSPHATE, DETHIOBIOTIN SYNTHETASE, ...
Authors:Kaeck, H, Gibson, K.J, Lindqvist, Y, Schneider, G.
Deposit date:1998-03-31
Release date:1999-05-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Snapshot of a phosphorylated substrate intermediate by kinetic crystallography.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BS1
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BU of 1bs1 by Molmil
DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP , INORGANIC PHOSPHATE AND MAGNESIUM
Descriptor: 8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kaeck, H, Sandmark, J, Gibson, K.J, Schneider, G, Lindqvist, Y.
Deposit date:1998-08-31
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of two quaternary complexes of dethiobiotin synthetase, enzyme-MgADP-AlF3-diaminopelargonic acid and enzyme-MgADP-dethiobiotin-phosphate; implications for catalysis.
Protein Sci., 7, 1998
1DAM
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BU of 1dam by Molmil
DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP, INORGANIC PHOSPHATE AND MAGNESIUM
Descriptor: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kaeck, H, Sandmark, J, Gibson, K.J, Schneider, G, Lindqvist, Y.
Deposit date:1998-08-31
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of two quaternary complexes of dethiobiotin synthetase, enzyme-MgADP-AlF3-diaminopelargonic acid and enzyme-MgADP-dethiobiotin-phosphate; implications for catalysis.
Protein Sci., 7, 1998
1DAK
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BU of 1dak by Molmil
DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX REACTION INTERMEDIATE ADP AND MIXED ANHYDRIDE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DETHIOBIOTIN SYNTHETASE, MAGNESIUM ION, ...
Authors:Kaeck, H, Gibson, K.J, Lindqvist, Y, Schneider, G.
Deposit date:1998-03-31
Release date:1999-04-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Snapshot of a phosphorylated substrate intermediate by kinetic crystallography.
Proc.Natl.Acad.Sci.USA, 95, 1998
8OOG
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BU of 8oog by Molmil
Crystal structure of human MAT2a with S-Adenosylmethionine and a fragment bound in a novel pocket
Descriptor: 6-oxidanyl-1,3-benzoxathiol-2-one, DIMETHYL SULFOXIDE, S-ADENOSYLMETHIONINE, ...
Authors:Schimpl, M.
Deposit date:2023-04-05
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.384 Å)
Cite:Combining structural and coevolution information to unveil allosteric sites.
Chem Sci, 14, 2023
1BYI
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BU of 1byi by Molmil
STRUCTURE OF APO-DETHIOBIOTIN SYNTHASE AT 0.97 ANGSTROMS RESOLUTION
Descriptor: DETHIOBIOTIN SYNTHASE
Authors:Sandalova, T, Schneider, G, Kaeck, H, Lindqvist, Y.
Deposit date:1998-10-15
Release date:1999-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structure of dethiobiotin synthetase at 0.97 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
5ANV
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BU of 5anv by Molmil
MTH1 in complex with compound 15
Descriptor: 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Read, J.A, Breed, J.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANW
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BU of 5anw by Molmil
MTH1 in complex with compound 24
Descriptor: 2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Read, J.A, Breed, J.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANU
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BU of 5anu by Molmil
MTH1 in complex with compound 15
Descriptor: 13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, DIMETHYL SULFOXIDE
Authors:Read, J.A, Breed, J.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
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