Author results

6QSW
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COMPLEMENT FACTOR B PROTEASE DOMAIN IN COMPLEX WITH THE REVERSIBLE INHIBITOR N-(2-BROMO-4-METHYLNAPHTHALEN-1-YL)-4,5-DIHYDRO-1H-IMIDAZOL-2-AMINE.
Descriptor:Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine
Authors:Adams, C.M., Sellner, H., Ehara, T., Mac Sweeney, A., Crowley, M., Anderson, K., Karki, R., Mainolfi, N., Valeur, E., Sirockin, F., Gerhartz, B., Erbel, P., Hughes, N., Smith, T.M., Cumin, F., Argikar, U., Mogi, M., Sedrani, R., Wiesmann, C., Jaffee, B., Maibaum, J., Flohr, S., Harrison, R., Eder, J.
Deposit date:2019-02-22
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Complement factor B protease domain in complex with the reversible inhibitor PKF
To Be Published
6QSX
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COMPLEMENT FACTOR B PROTEASE DOMAIN IN COMPLEX WITH THE REVERSIBLE INHIBITOR ((2S,4S)-1-((5,7-DIMETHYL-1H-INDOL-4-YL)METHYL)-4-METHOXYPIPERIDIN-2-YL)METHANOL.
Descriptor:Complement factor B, SULFATE ION, [(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol, ...
Authors:Adams, C.M., Sellner, H., Ehara, T., Mac Sweeney, A., Crowley, M., Anderson, K., Karki, R., Mainolfi, N., Valeur, E., Sirockin, F., Gerhartz, B., Erbel, P., Hughes, N., Smith, T.M., Cumin, F., Argikar, U., Mogi, M., Sedrani, R., Wiesmann, C., Jaffee, B., Maibaum, J., Flohr, S., Harrison, R., Eder, J.
Deposit date:2019-02-22
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Complement factor B protease domain in complex with the reversible inhibitor NVP-LNP023
To Be Published
2CKJ
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HUMAN MILK XANTHINE OXIDOREDUCTASE
Descriptor:XANTHINE OXIDOREDUCTASE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pearson, A.R., Godber, B.L.J., Eisenthal, R., Taylor, G.L., Harrison, R.
Deposit date:2006-04-19
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Human Milk Xanthine Dehydrogenase is Incompletely Converted to the Oxidase Form in the Absence of Proteolysis. A Structural Explanation.
To be Published
1HUQ
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1.8A CRYSTAL STRUCTURE OF THE MONOMERIC GTPASE RAB5C (MOUSE)
Descriptor:RAB5C, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Merithew, E., Hatherly, S., Dumas, J.J., Lawe, D.C., Heller-Harrison, R., Lambright, D.G.
Deposit date:2001-01-04
Release date:2001-02-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural plasticity of an invariant hydrophobic triad in the switch regions of Rab GTPases is a determinant of effector recognition.
J.Biol.Chem., 276, 2001
2Y37
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THE DISCOVERY OF NOVEL, POTENT AND HIGHLY SELECTIVE INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE (INOS)
Descriptor:NITRIC OXIDE SYNTHASE, INDUCIBLE, SULFATE ION, ...
Authors:Cheshire, D.R., Andrews, G., Beaton, H.G., Birkinshaw, T.N., Boughton-Smith, N., Connolly, S., Cook, T.R., Cooper, A., Cooper, S.L., Cox, D., Dixon, J., Gensmantel, N., Hamley, P.J., Harrison, R., Hartopp, P., Kack, H., Luker, T., Mete, A., Millichip, I., Nicholls, D.J., Pimm, A.D., St-Gallay, S.A., Wallace, A.V.
Deposit date:2010-12-19
Release date:2011-04-13
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
4UX6
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THE DISCOVERY OF NOVEL, POTENT AND HIGHLY SELECTIVE INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE (INOS)
Descriptor:NITRIC OXIDE SYNTHASE, INDUCIBLE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Cheshire, D.R., Andrews, G., Beaton, H.G., Birkinshaw, T., Boughton-Smith, N., Connolly, S., Cook, T.R., Cooper, A., Cooper, S.L., Cox, D., Dixon, J., Gensmantel, N., Hamley, P.J., Harrison, R., Hartopp, P., Kack, H., Luker, T., Mete, A., Millichip, I., Nicholls, D.J., Pimm, A.D., St-Gallay, S.A., Wallace, A.V.
Deposit date:2014-08-19
Release date:2014-10-08
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
6RAV
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COMPLEMENT FACTOR B PROTEASE DOMAIN IN COMPLEX WITH THE REVERSIBLE INHIBITOR 4-((2S,4S)-4-ETHOXY-1-((5-METHOXY-7-METHYL-1H-INDOL-4-YL)METHYL)PIPERIDIN-2-YL)BENZOIC ACID
Descriptor:Complement factor B, SULFATE ION, 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, ...
Authors:Adams, C.M., Sellner, H., Ehara, T., Mac Sweeney, A., Crowley, M., Anderson, K., Karki, R., Mainolfi, N., Valeur, E., Sirockin, F., Gerhartz, B., Erbel, P., Hughes, N., Smith, T.M., Cumin, F., Argikar, U., Mogi, M., Sedrani, R., Wiesmann, C., Jaffee, B., Maibaum, J., Flohr, S., Harrison, R., Eder, J.
Deposit date:2019-04-08
Release date:2019-04-17
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
To be published
1K1U
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COMBINING MUTATIONS IN HIV-1 PROTEASE TO UNDERSTAND MECHANISMS OF RESISTANCE
Descriptor:PROTEASE RETROPEPSIN, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Authors:Mahalingam, B., Boross, P., Wang, Y.-F., Louis, J.M., Fischer, C., Tozser, J., W Harrison, R., Weber, I.T.
Deposit date:2001-09-25
Release date:2002-07-10
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Combining mutations in HIV-1 protease to understand mechanisms of resistance.
Proteins, 48, 2002
1K2B
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COMBINING MUTATIONS IN HIV-1 PROTEASE TO UNDERSTAND MECHANISMS OF RESISTANCE
Descriptor:PROTEASE RETROPEPSIN, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Authors:Mahalingam, B., Boross, P., Wang, Y.-F., Louis, J.M., Fischer, C., Tozser, J., W Harrison, R., Weber, I.T.
Deposit date:2001-09-26
Release date:2002-07-10
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Combining mutations in HIV-1 protease to understand mechanisms of resistance.
Proteins, 48, 2002
1K2C
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COMBINING MUTATIONS IN HIV-1 PROTEASE TO UNDERSTAND MECHANISMS OF RESISTANCE
Descriptor:PROTEASE RETROPEPSIN, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Authors:Mahalingam, B., Boross, P., Wang, Y.-F., Louis, J.M., Fischer, C., Tozser, J., W Harrison, R., Weber, I.T.
Deposit date:2001-09-26
Release date:2002-07-10
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Combining mutations in HIV-1 protease to understand mechanisms of resistance.
Proteins, 48, 2002
1HFS
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-764,004
Descriptor:STROMELYSIN-1, ZINC ION, CALCIUM ION, ...
Authors:Becker, J.W.
Deposit date:1997-02-13
Release date:1998-02-18
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of stromelysin-1 (MMP-3) by P1'-biphenylylethyl carboxyalkyl dipeptides.
J.Med.Chem., 40, 1997
4RL5
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CRYSTAL STRUCTURE OF THE ARABIDOPSIS EXOCYST SUBUNIT EXO70 FAMILY PROTEIN A1
Descriptor:Exocyst complex component EXO70A1
Authors:Zhang, Z.-M., Zhang, C., Song, J.
Deposit date:2014-10-15
Release date:2015-11-25
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Endosidin2 targets conserved exocyst complex subunit EXO70 to inhibit exocytosis.
Proc.Natl.Acad.Sci.USA, 113, 2016
6EL6
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GLUCOCORTICOID RECEPTOR IN COMPLEX WITH COMPOUND 4
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2, 1,2-ETHANEDIOL, ...
Authors:Edman, K., Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
6EL7
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GLUCOCORTICOID RECEPTOR IN COMPLEX WITH COMPOUND 31
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2, 1,2-ETHANEDIOL, ...
Authors:Edman, K., Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
6EL9
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GLUCOCORTICOID RECEPTOR IN COMPLEX WITH AZD9567
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2, 1,2-ETHANEDIOL, ...
Authors:Edman, K., Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
4MON
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ORTHORHOMBIC MONELLIN
Descriptor:MONELLIN
Authors:Bujacz, G., Wlodawer, A.
Deposit date:1997-03-04
Release date:1997-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of monellin refined to 2.3 a resolution in the orthorhombic crystal form.
Acta Crystallogr.,Sect.D, 53, 1997
5FAH
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KALLIKREIN-7 IN COMPLEX WITH COMPOUND1
Descriptor:Kallikrein-7, ACETATE ION, (2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide
Authors:Ostermann, N., Zink, F.
Deposit date:2015-12-11
Release date:2016-10-26
Last modified:2016-11-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FBE
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COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2
Descriptor:Complement factor D, GLYCEROL, methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate
Authors:Ostermann, N., Zink, F.
Deposit date:2015-12-14
Release date:2016-10-26
Last modified:2016-11-23
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FBI
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COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3B
Descriptor:Complement factor D, GLYCEROL, 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid
Authors:Ostermann, N., Zink, F.
Deposit date:2015-12-14
Release date:2016-10-26
Last modified:2016-11-23
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FCK
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COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5
Descriptor:Complement factor D, 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide, SULFATE ION
Authors:Mac Sweeney, A.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2016-11-23
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FCR
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MOUSE COMPLEMENT FACTOR D
Descriptor:Complement factor D, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Mac Sweeney, A.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2016-11-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
1SLM
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CRYSTAL STRUCTURE OF FIBROBLAST STROMELYSIN-1: THE C-TRUNCATED HUMAN PROENZYME
Descriptor:STROMELYSIN-1, ZINC ION, CALCIUM ION
Authors:Becker, J.W.
Deposit date:1995-08-03
Release date:1996-12-17
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Stromelysin-1: three-dimensional structure of the inhibited catalytic domain and of the C-truncated proenzyme.
Protein Sci., 4, 1995
1SLN
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-702,842
Descriptor:STROMELYSIN-1, ZINC ION, CALCIUM ION, ...
Authors:Becker, J.W.
Deposit date:1995-08-03
Release date:1996-12-17
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Stromelysin-1: three-dimensional structure of the inhibited catalytic domain and of the C-truncated proenzyme.
Protein Sci., 4, 1995
1FKD
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FK-506 BINDING PROTEIN: THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX WITH THE ANTAGONIST L-685,818
Descriptor:FK506 BINDING PROTEIN, 18-HYDROXYASCOMYCIN
Authors:Becker, J.W., Rotonda, J., Mckeever, B.M.
Deposit date:1992-12-02
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:FK-506-binding protein: three-dimensional structure of the complex with the antagonist L-685,818.
J.Biol.Chem., 268, 1993