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2VYA
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CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE CONJUGATED WITH THE DRUG-LIKE INHIBITOR PF-750
Descriptor:FATTY-ACID AMIDE HYDROLASE 1, UNKNOWN ATOM OR ION, 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, ...
Authors:Mileni, M., Johnson, D.S., Wang, Z., Everdeen, D.S., Liimatta, M., Pabst, B., Bhattacharya, K., Nugent, R.A., Kamtekar, S., Cravatt, B.F., Ahn, K., Stevens, R.C.
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.
Proc.Natl.Acad.Sci.USA, 105, 2008
2WAP
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3D-CRYSTAL STRUCTURE OF HUMANIZED-RAT FATTY ACID AMIDE HYDROLASE (FAAH) CONJUGATED WITH THE DRUG-LIKE UREA INHIBITOR PF-3845
Descriptor:FATTY-ACID AMIDE HYDROLASE 1, 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, ...
Authors:Mileni, M., Kamtekar, S., Stevens, R.C.
Deposit date:2009-02-11
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Characterization of a Highly Selective Faah Inhibitor that Reduces Inflammatory Pain.
Chem.Biol., 16, 2009
5KRE
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COVALENT INHIBITOR OF LYPLAL1
Descriptor:Lysophospholipase-like protein 1, (2~{R})-2-phenylpiperidine-1-carbaldehyde, NITRATE ION
Authors:Pandit, J.
Deposit date:2016-07-07
Release date:2016-07-20
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism.
Acs Chem.Biol., 11, 2016
2J7Z
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CRYSTAL STRUCTURE OF RECOMBINANT HUMAN STROMAL CELL-DERIVED FACTOR- 1ALPHA
Descriptor:STROMAL CELL-DERIVED FACTOR 1 ALPHA
Authors:Ryu, E.K., Kim, T.G., Kwon, T.H., Jung, I.D., Ryu, D.W., Park, Y.-M., Ahn, K., Ban, C.
Deposit date:2006-10-18
Release date:2006-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Recombinant Human Stromal Cell-Derived Factor-1Alpha.
Proteins, 67, 2007
2ABJ
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CRYSTAL STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID TRANSAMINASE IN A COMPLEX WITH AN INHIBITOR, C16H10N2O4F3SCL, AND PYRIDOXAL 5' PHOSPHATE.
Descriptor:Branched-chain-amino-acid aminotransferase, cytosolic, N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE, ...
Authors:Ohren, J.F., Moreland, D.W., Rubin, J.R., Hu, H.L., McConnell, P.C., Mistry, A., Mueller, W.T., Scholten, J.D., Hasemann, C.H.
Deposit date:2005-07-15
Release date:2006-06-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases.
Bioorg.Med.Chem.Lett., 16, 2006
5WBM
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STRUCTURE OF HUMAN KETOHEXOKINASE COMPLEXED WITH HITS FROM FRAGMENT SCREENING
Descriptor:Ketohexokinase, [(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol, SULFATE ION
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBO
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STRUCTURE OF HUMAN KETOHEXOKINASE COMPLEXED WITH HITS FROM FRAGMENT SCREENING
Descriptor:Ketohexokinase, 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile, SULFATE ION, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBP
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STRUCTURE OF HUMAN KETOHEXOKINASE COMPLEXED WITH HITS FROM FRAGMENT SCREENING
Descriptor:Ketohexokinase, 3-(trifluoromethyl)quinoxalin-2(1H)-one, SULFATE ION, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBQ
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STRUCTURE OF HUMAN KETOHEXOKINASE COMPLEXED WITH HITS FROM FRAGMENT SCREENING
Descriptor:Ketohexokinase, 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile, SULFATE ION, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBR
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STRUCTURE OF HUMAN KETOHEXOKINASE COMPLEXED WITH HITS FROM FRAGMENT SCREENING
Descriptor:Ketohexokinase, 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, SULFATE ION, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBZ
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STRUCTURE OF HUMAN KETOHEXOKINASE COMPLEXED WITH HITS FROM FRAGMENT SCREENING
Descriptor:Ketohexokinase, 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, SULFATE ION, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
4DL1
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CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE WITH COVALENT THIOXANTHINE ANALOG
Descriptor:Myeloperoxidase light chain, Myeloperoxidase heavy chain, CHLORIDE ION, ...
Authors:Vajdos, F., Varghese, A.
Deposit date:2012-02-05
Release date:2012-03-21
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deconstruction of activity-dependent covalent modification of heme in human neutrophil myeloperoxidase by multistage mass spectrometry (MS(4)).
Biochemistry, 51, 2012