Author results

1BG0
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TRANSITION STATE STRUCTURE OF ARGININE KINASE
Descriptor:ARGININE KINASE, NITRATE ION, MAGNESIUM ION, ...
Authors:Zhou, G., Somasundaram, T., Blanc, E., Parthasarathy, G., Ellington, W.R., Chapman, M.S.
Deposit date:1998-06-03
Release date:1998-10-14
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Transition state structure of arginine kinase: implications for catalysis of bimolecular reactions.
Proc.Natl.Acad.Sci.USA, 95, 1998
1FAV
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THE STRUCTURE OF AN HIV-1 SPECIFIC CELL ENTRY INHIBITOR IN COMPLEX WITH THE HIV-1 GP41 TRIMERIC CORE
Descriptor:HIV-1 ENVELOPE PROTEIN CHIMERA, PROTEIN (TRANSMEMBRANE GLYCOPROTEIN)
Authors:Zhou, G., Ferrer, M., Chopra, R., Strassmaier, T., Weissenhorn, W., Skehel, J.J., Oprian, D., Schreiber, S.L., Harrison, S.C., Wiley, D.C.
Deposit date:2000-07-13
Release date:2000-08-23
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core.
Bioorg.Med.Chem., 8, 2000
1ZEO
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CRYSTAL STRUCTURE OF HUMAN PPAR-GAMMA LIGAND BINDING DOMAIN COMPLEXED WITH AN ALPHA-ARYLOXYPHENYLACETIC ACID AGONIST
Descriptor:Peroxisome proliferator activated receptor gamma, (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE
Authors:Shi, G.Q., Dropinski, J.F., McKeever, B.M., Adams, A.D., MacNaul, K.L., Elbrecht, A., Berger, J.P., Zhou, G., Doebber, T.W.
Deposit date:2005-04-19
Release date:2006-04-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and Synthesis of alpha-Aryloxyphenylacetic Acid Derivatives: A Novel Class of PPAR alpha/gamma Dual Agonists with Potent Antihyperglycemic and Lipid Modulating Activity
J.Med.Chem., 48, 2005
3EDZ
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH HYDROXAMATE INHIBITOR
Descriptor:ADAM 17, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
Authors:Mazzola, R.D., Zhu, Z., Sinning, L., McKittrick, B., Lavey, B., Spitler, J., Kozlowski, J., Neng-Yang, S., Zhou, G., Guo, Z., Orth, P., Madison, V., Sun, J., Lundell, D., Niu, X.
Deposit date:2008-09-03
Release date:2008-09-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
4E26
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BRAF IN COMPLEX WITH AN ORGANIC INHIBITOR 7898734
Descriptor:Serine/threonine-protein kinase B-raf, 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol
Authors:Qin, J., Xie, P., Ventocilla, C., Zhou, G., Vultur, A., Chen, Q., Herlyn, M., Winkler, J., Marmorstein, R.
Deposit date:2012-03-07
Release date:2012-05-09
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Identification of a Novel Family of BRAF(V600E) Inhibitors.
J.Med.Chem., 55, 2012
1D41
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STABILIZATION OF Z-DNA BY DEMETHYLATION OF THYMINE BASES: 1.3 ANGSTROMS SINGLE-CRYSTAL STRUCTURE OF D(M5CGUAM5CG)
Descriptor:DNA (5'-D(*(5CM)P*GP*UP*AP*(5CM)P*G)-3'), MAGNESIUM ION
Authors:Zhou, G., Ho, P.S.
Deposit date:1991-05-07
Release date:1992-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Stabilization of Z-DNA by demethylation of thymine bases: 1.3-A single-crystal structure of d(m5CGUAm5CG).
Biochemistry, 29, 1990
6A69
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CRYO-EM STRUCTURE OF A P-TYPE ATPASE
Descriptor:Plasma membrane calcium-transporting ATPase 1, Neuroplastin, N-ACETYL-D-GLUCOSAMINE
Authors:Gong, D.S., Chi, X.M., Ren, K., Huang, G.X.Y., Zhou, G.W., Yan, N., Lei, J.L., Zhou, Q.
Deposit date:2018-06-27
Release date:2018-09-19
Method:ELECTRON MICROSCOPY (4.11 Å)
Cite:Structure of the human plasma membrane Ca2+-ATPase 1 in complex with its obligatory subunit neuroplastin.
Nat Commun, 9, 2018
1M15
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TRANSITION STATE STRUCTURE OF ARGININE KINASE
Descriptor:arginine kinase, NITRATE ION, MAGNESIUM ION, ...
Authors:Yousef, M.S., Fabiola, F., Gattis, J.L., Somasundaram, T., Chapman, M.S.
Deposit date:2002-06-17
Release date:2002-12-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Refinement of the arginine kinase transition-state analogue complex at 1.2 A resolution: mechanistic insights.
Acta Crystallogr.,Sect.D, 58, 2002
3TY0
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STRUCTURE OF PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH (R)-5-(3-((3-(6-METHOXYBENZO[D]ISOXAZOL-3-YL)-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-1-YL)METHYL)PHENYL)-5-METHYLOXAZOLIDINE-2,4-DIONE
Descriptor:Peroxisome proliferator-activated receptor gamma, (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione
Authors:Soisson, S.M., Meinke, P.M., McKeever, B., Liu, W.
Deposit date:2011-09-23
Release date:2011-11-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
1VHR
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HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE
Descriptor:HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE VHR, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION
Authors:Yuvaniyama, J., Denu, J.M., Dixon, J.E., Saper, M.A.
Deposit date:1996-02-20
Release date:1996-06-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the dual specificity protein phosphatase VHR.
Science, 272, 1996
3E8R
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH HYDROXAMATE INHIBITOR
Descriptor:ADAM 17, ZINC ION, (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ...
Authors:Orth, P.
Deposit date:2008-08-20
Release date:2008-10-21
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
3KMC
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH TARTRATE-BASED INHIBITOR
Descriptor:TNF-alpha-converting enzyme, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
Authors:Orth, P.
Deposit date:2009-11-10
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
3KME
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH PHENYL-PYRROLIDINYL-TARTRATE INHIBITOR
Descriptor:TNF-alpha-converting enzyme, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
Authors:Orth, P.
Deposit date:2009-11-10
Release date:2009-12-22
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
3L0T
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH HYDANTOIN INHIBITOR
Descriptor:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
Authors:Orth, P.
Deposit date:2009-12-10
Release date:2010-03-02
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3L0V
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH THE FIRST HYDANTOIN INHIBITOR OCCUPYING THE S1' POCKET
Descriptor:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
Authors:Orth, P.
Deposit date:2009-12-10
Release date:2010-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LE9
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF TACE WITH INDAZOLINONE-PHENYL-HYDANTOIN INHIBITOR
Descriptor:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione, ...
Authors:Orth, P.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LEA
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF TACE WITH ISOINDOLINONE-BIPHENYL-HYDANTOIN INHIBITOR
Descriptor:Disintegrin and metalloproteinase domain-containing protein 17, 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium, ZINC ION, ...
Authors:Orth, P.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LGP
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH BENZIMIDAZOLYL-THIENYL-TARTRATE BASED INHIBITOR
Descriptor:Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION, (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide
Authors:Orth, P.
Deposit date:2010-01-21
Release date:2010-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5XK5
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RELAXED STATE OF S65-PHOSPHORYLATED UBIQUITIN
Descriptor:Polyubiquitin-B
Authors:Xu, D., Zhou, G., Qin, L.Y., Ran, M.L., Zhang, C.L., Liu, K., Liu, Z., Zhang, W.P., Tang, C.
Deposit date:2017-05-05
Release date:2017-06-28
Last modified:2017-07-12
Method:SOLUTION NMR
Cite:Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1QH4
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CRYSTAL STRUCTURE OF CHICKEN BRAIN-TYPE CREATINE KINASE AT 1.41 ANGSTROM RESOLUTION
Descriptor:CREATINE KINASE, ACETATE ION, CALCIUM ION
Authors:Eder, M., Schlattner, U., Becker, A., Wallimann, T., Kabsch, W., Fritz-Wolf, K.
Deposit date:1999-05-11
Release date:1999-11-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of brain-type creatine kinase at 1.41 A resolution.
Protein Sci., 8, 1999
1SD0
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STRUCTURE OF ARGININE KINASE C271A MUTANT
Descriptor:Arginine kinase, NITRATE ION, MAGNESIUM ION, ...
Authors:Gattis, J.L., Ruben, E., Fenley, M.O., Ellington, W.R., Chapman, M.S.
Deposit date:2004-02-12
Release date:2004-07-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The active site cysteine of arginine kinase: structural and functional analysis of partially active mutants
Biochemistry, 43, 2004
1D40
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BASE SPECIFIC BINDING OF COPPER(II) TO Z-DNA: THE 1.3-ANGSTROMS SINGLE CRYSTAL STRUCTURE OF D(M5CGUAM5CG) IN THE PRESENCE OF CUCL2
Descriptor:DNA (5'-D(*(5CM)P*(CU)GP*UP*AP*(5CM)P*(CU)G)-3'), COPPER (II) ION, COPPER (II) CHLORIDE
Authors:Geierstanger, B.H., Kagawa, T.F., Chen, S.-L., Quigley, G.J., Ho, P.S.
Deposit date:1991-05-07
Release date:1992-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Base-specific binding of copper(II) to Z-DNA. The 1.3-A single crystal structure of d(m5CGUAm5CG) in the presence of CuCl2.
J.Biol.Chem., 266, 1991