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5FP0
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BU of 5fp0 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide
Authors:Xue, Y, Olsson, T, Johansson, C.A, Oster, L, Beisel, H.G, Rohman, M, Karis, D, Backstrom, S.
Deposit date:2015-11-26
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fragment Screening of Soluble Epoxide Hydrolase for Lead Generation-Structure-Based Hit Evaluation and Chemistry Exploration.
Chemmedchem, 11, 2016
5AIX
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BU of 5aix by Molmil
Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.
Descriptor: 6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ...
Authors:Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F.
Deposit date:2015-02-18
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
5AIV
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BU of 5aiv by Molmil
Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.
Descriptor: 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ...
Authors:Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
5AIS
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BU of 5ais by Molmil
Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.
Descriptor: 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ...
Authors:Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
4UY1
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BU of 4uy1 by Molmil
Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors
Descriptor: 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H.
Deposit date:2014-08-28
Release date:2014-10-15
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening
Bioorg.Med.Chem.Lett., 24, 2014
6R7D
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BU of 6r7d by Molmil
Crystal structure of LTC4S in complex with AZ13690257
Descriptor: (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ...
Authors:Kack, H, Ek, M.
Deposit date:2019-03-28
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
6G5J
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BU of 6g5j by Molmil
Secreted phospholipase A2 type X in complex with ligand
Descriptor: (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sandmark, J, Oster, L.
Deposit date:2018-03-29
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid.
ACS Med Chem Lett, 9, 2018
5OWC
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BU of 5owc by Molmil
Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors
Descriptor: 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D.
Deposit date:2017-08-31
Release date:2018-08-01
Last modified:2021-05-05
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018
5OW8
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BU of 5ow8 by Molmil
Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors
Descriptor: 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide, CALCIUM ION, CHLORIDE ION, ...
Authors:Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D.
Deposit date:2017-08-31
Release date:2018-08-01
Last modified:2021-05-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018
6WKU
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BU of 6wku by Molmil
Twelve Chloride Ions Drive Assembly of Human alpha345 Collagen IV NC1 domain
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ...
Authors:Boudko, S.P, Hudson, B.G.
Deposit date:2020-04-17
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Collagen IV alpha 345 dysfunction in glomerular basement membrane diseases. II. Crystal structure of the alpha 345 hexamer.
J.Biol.Chem., 296, 2021
7ZIH
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BU of 7zih by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor AG-01-128
Descriptor: 8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Schuetz, A, Gogolin, A, Pfeifer, J, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
Deposit date:2022-04-08
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46890831 Å)
Cite:Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
7ZII
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BU of 7zii by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-193
Descriptor: 8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione, FE (III) ION, GLYCEROL, ...
Authors:Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
Deposit date:2022-04-08
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6280005 Å)
Cite:Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
7ZIJ
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BU of 7zij by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-080
Descriptor: 8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
Deposit date:2022-04-08
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94678366 Å)
Cite:Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
7ZIG
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BU of 7zig by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-060
Descriptor: (2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
Deposit date:2022-04-08
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.808885 Å)
Cite:Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
7ZIF
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BU of 7zif by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-480
Descriptor: (2R)-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3H-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, GLYCEROL, ...
Authors:Schuetz, A, Ziebart, N, Weise, M, Mallow, K, Pfeifer, J, Nazare, M, Specker, E, Heinemann, U.
Deposit date:2022-04-08
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86859715 Å)
Cite:Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
7ZIK
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BU of 7zik by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor LP533401
Descriptor: (2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Schuetz, A, Heinemann, U.
Deposit date:2022-04-08
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58925915 Å)
Cite:Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022

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