1JOY
 
 | | SOLUTION STRUCTURE OF THE HOMODIMERIC DOMAIN OF ENVZ FROM ESCHERICHIA COLI BY MULTI-DIMENSIONAL NMR. | | Descriptor: | PROTEIN (ENVZ_ECOLI) | | Authors: | Tomomori, C, Tanaka, T, Dutta, R, Park, H, Saha, S.K, Zhu, Y, Ishima, R, Liu, D, Tong, K.I, Kurokawa, H, Qian, H, Inouye, M, Ikura, M. | | Deposit date: | 1998-12-28 | | Release date: | 2000-01-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the homodimeric core domain of Escherichia coli histidine kinase EnvZ.
Nat.Struct.Biol., 6, 1999
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8CPC
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4J03
 | | Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant | | Descriptor: | (7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | | Authors: | Morisseau, C, Pakhomova, S, Hwang, S.H, Newcomer, M.E, Hammock, B.D. | | Deposit date: | 2013-01-30 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.
Bioorg.Med.Chem.Lett., 23, 2013
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7XL0
 | | Crystal structure of Vobarilizumab at 1.70 Angstrom | | Descriptor: | GLYCEROL, Nanobody Vobarilizumab, SULFATE ION | | Authors: | Caaveiro, J.M.M, Mori, C, Kinoshita, S, Nakakido, M, Tsumoto, K. | | Deposit date: | 2022-04-20 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis for thermal stability and affinity in a VHH: Contribution of the framework region and its influence in the conformation of the CDR3.
Protein Sci., 31, 2022
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6A94
 | | Crystal structure of 5-HT2AR in complex with zotepine | | Descriptor: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | Authors: | Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T. | | Deposit date: | 2018-07-11 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
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6JZH
 | | Structure of human A2A adenosine receptor in complex with ZM241385 obtained from SFX experiments under atmospheric pressure | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Nango, E, Shimamura, T, Nakane, T, Yamanaka, Y, Mori, C, Kimura, K.T, Fujiwara, T, Tanaka, T, Iwata, S. | | Deposit date: | 2019-05-02 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | High-viscosity sample-injection device for serial femtosecond crystallography at atmospheric pressure.
J.Appl.Crystallogr., 52, 2019
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6A93
 | | Crystal structure of 5-HT2AR in complex with risperidone | | Descriptor: | 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T. | | Deposit date: | 2018-07-11 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
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7XL1
 | | Crystal structure of chimeric 7D12-Vob nanobody at 1.65 Angstrom | | Descriptor: | Chimeric 7D12-Vob nanobody, MALONATE ION | | Authors: | Caaveiro, J.M.M, Kinoshita, S, Mori, C, Nakakido, M, Tsumoto, K. | | Deposit date: | 2022-04-20 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular basis for thermal stability and affinity in a VHH: Contribution of the framework region and its influence in the conformation of the CDR3.
Protein Sci., 31, 2022
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7WBS
 | | Crystal structure of HIV-1 protease in complex with lactam derivative 2 | | Descriptor: | (3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one, GLYCEROL, Protease | | Authors: | Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakabayashi-Morimoto, C, Tachibana, Y, Fumoto, M. | | Deposit date: | 2021-12-17 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template.
J.Med.Chem., 65, 2022
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7WCQ
 | | Crystal structure of HIV-1 protease in complex with lactam derivative 1 | | Descriptor: | (3R,4R)-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-4-oxidanyl-pyrrolidin-2-one, Protease | | Authors: | Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakasa-Morimoto, C, Tachibana, Y, Fumoto, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template.
J.Med.Chem., 65, 2022
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7YF6
 | | Crystal structure of HIV-1 protease in complex with macrocyclic peptide | | Descriptor: | MAGNESIUM ION, Macrocyclic Peptide, Protease | | Authors: | Kusumoto, Y, Sato, S, Yamada, T, Kozono, I, Nakata, Z, Asada, N, Mitsuki, S, Wakasa-Morimoto, C, Tohru, M, Watanabe, A, Hayashi, K, Mikamiyama, H. | | Deposit date: | 2022-07-07 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Highly Potent and Oral Macrocyclic Peptides as a HIV-1 Protease Inhibitor: mRNA Display-Derived Hit-to-Lead Optimization.
Acs Med.Chem.Lett., 13, 2022
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6N3K
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1 | | Descriptor: | Epoxide hydrolase, N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea | | Authors: | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | Deposit date: | 2018-11-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
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1VJ5
 | | Human soluble Epoxide Hydrolase- N-cyclohexyl-N'-(4-iodophenyl)urea complex | | Descriptor: | HEXAETHYLENE GLYCOL, MAGNESIUM ION, N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA, ... | | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2004-02-03 | | Release date: | 2004-04-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis
Biochemistry, 43, 2004
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1S8O
 | | Human soluble Epoxide Hydrolase | | Descriptor: | HEXAETHYLENE GLYCOL, epoxide hydrolase 2, cytoplasmic | | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2004-02-03 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis
Biochemistry, 43, 2004
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1ZD2
 | | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-ethanoic acid complex | | Descriptor: | MAGNESIUM ION, N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE, PHOSPHATE ION, ... | | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2005-04-14 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids
Protein Sci., 15, 2006
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1ZD5
 | | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-heptanoic acid complex | | Descriptor: | 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2005-04-14 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids
Protein Sci., 15, 2006
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1ZD4
 | | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-hexanoic acid complex | | Descriptor: | 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2005-04-14 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids
Protein Sci., 15, 2006
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1ZD3
 | | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-butyric acid complex | | Descriptor: | 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2005-04-14 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids
Protein Sci., 15, 2006
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4OD0
 | | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea | | Descriptor: | 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | | Authors: | Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morisseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. | | Deposit date: | 2014-01-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
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6AUM
 | | Crystal structure of human soluble epoxide hydrolase complexed with trans-4-[4-(3-trifluoromethoxyphenyl-l-ureido)-cyclohexyloxy]-benzoic acid. | | Descriptor: | 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid, Bifunctional epoxide hydrolase 2, CHLORIDE ION, ... | | Authors: | Kodani, S.D, Bahkta, S, Hwang, S.H, Pakhomova, S, Newcomer, M.E, Morisseau, C, Hammock, B. | | Deposit date: | 2017-09-01 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase.
Bioorg. Med. Chem. Lett., 28, 2018
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6N3Z
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 4 | | Descriptor: | Epoxide hydrolase TrEH, N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide | | Authors: | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | Deposit date: | 2018-11-16 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.238 Å) | | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
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6N5H
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 5 | | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Epoxide hydrolase TrEH | | Authors: | Oliveira, G.S, Adriano, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.717 Å) | | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors
Int. J. Biol. Macromol., 129, 2019
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6N5F
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 3 | | Descriptor: | Epoxide hydrolase TrEH, N-(8-amino-8-oxooctyl)nonanamide | | Authors: | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
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6N5G
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2 | | Descriptor: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide, Epoxide hydrolase TrEH | | Authors: | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
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1CR6
 | | CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CPU INHIBITOR | | Descriptor: | EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-(PROPYL)PHENYL UREA | | Authors: | Argiriadi, M.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 1999-08-13 | | Release date: | 1999-11-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase.
Proc.Natl.Acad.Sci.USA, 96, 1999
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