Author results

1ELF
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NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH
Descriptor:PORCINE PANCREATIC ELASTASE, CALCIUM ION, SULFATE ION, ...
Authors:Ding, X., Rasmussen, B., Demuth, H.-U., Ringe, D., Steinmetz, A.C.U.
Deposit date:1995-03-13
Release date:1995-07-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH.
Biochemistry, 34, 1995
1ELG
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NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH
Descriptor:PORCINE PANCREATIC ELASTASE, CALCIUM ION, (TERT-BUTYLOXYCARBONYL)-ALANYL-ALANYL-AMINE
Authors:Ding, X., Rasmussen, B., Demuth, H.-U., Ringe, D., Steinmetz, A.C.U.
Deposit date:1995-03-13
Release date:1995-07-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH.
Biochemistry, 34, 1995
1ESA
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DIRECT STRUCTURE OBSERVATION OF AN ACYL-ENZYME INTERMEDIATE IN THE HYDROLYSIS OF AN ESTER SUBSTRATE BY ELASTASE
Descriptor:PORCINE PANCREATIC ELASTASE, CALCIUM ION, SULFATE ION
Authors:Ding, X., Rasmussen, B., Petsko, G.A., Ringe, D.
Deposit date:1994-02-04
Release date:1994-04-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase.
Biochemistry, 33, 1994
1ESB
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DIRECT STRUCTURE OBSERVATION OF AN ACYL-ENZYME INTERMEDIATE IN THE HYDROLYSIS OF AN ESTER SUBSTRATE BY ELASTASE
Descriptor:PORCINE PANCREATIC ELASTASE, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, CALCIUM ION, ...
Authors:Ding, X., Rasmussen, B., Petsko, G.A., Ringe, D.
Deposit date:1994-02-04
Release date:1994-04-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase.
Biochemistry, 33, 1994
1DDN
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DIPHTHERIA TOX REPRESSOR (C102D MUTANT)/TOX DNA OPERATOR COMPLEX
Descriptor:33 BASE DNA CONTAINING TOXIN OPERATOR, DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION
Authors:White, A., Ding, X., Vanderspek, J.C., Murphy, J.R., Ringe, D.
Deposit date:1998-06-23
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex.
Nature, 394, 1998
2TDX
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DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL
Descriptor:DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION
Authors:White, A., Ding, X., Zheng, H., Schiering, N., Ringe, D., Murphy, J.R.
Deposit date:1998-06-22
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex.
Nature, 394, 1998
4MZF
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CRYSTAL STRUCTURE OF HUMAN SPINDLIN1 BOUND TO HISTONE H3(K4ME3-R8ME2A) PEPTIDE
Descriptor:Peptide from Histone H3.2, Spindlin-1, CHLORIDE ION, ...
Authors:Su, X., Ding, X., Li, H.
Deposit date:2013-09-30
Release date:2014-03-26
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Molecular basis underlying histone H3 lysine-arginine methylation pattern readout by Spin/Ssty repeats of Spindlin1
Genes Dev., 28, 2014
4MZG
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CRYSTAL STRUCTURE OF HUMAN SPINDLIN1 BOUND TO HISTONE H3K4ME3 PEPTIDE
Descriptor:Peptide from Histone H3.2, Spindlin-1, (4R)-2-METHYLPENTANE-2,4-DIOL, ...
Authors:Su, X., Ding, X., Li, H.
Deposit date:2013-09-30
Release date:2014-03-26
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Molecular basis underlying histone H3 lysine-arginine methylation pattern readout by Spin/Ssty repeats of Spindlin1
Genes Dev., 28, 2014
4MZH
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CRYSTAL STRUCTURE OF HUMAN SPINDLIN1 BOUND TO HISTONE H3(K4ME3-R8ME2S) PEPTIDE
Descriptor:Spindlin-1, Peptide from Histone H3.2, MAGNESIUM ION
Authors:Su, X., Ding, X., Li, H.
Deposit date:2013-09-30
Release date:2014-03-26
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Molecular basis underlying histone H3 lysine-arginine methylation pattern readout by Spin/Ssty repeats of Spindlin1
Genes Dev., 28, 2014
4NFT
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CRYSTAL STRUCTURE OF HUMAN LNKH2B-H2A.Z-ANP32E
Descriptor:Histone H2B type 2-E, Histone H2A.Z, Acidic leucine-rich nuclear phosphoprotein 32 family member E
Authors:Shan, S., Pan, L., Mao, Z., Wang, W., Sun, J., Dong, Q., Liang, X., Ding, X., Chen, S., Dai, L., Zhang, Z., Zhu, B., Zhou, Z.
Deposit date:2013-11-01
Release date:2014-04-09
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z
Cell Res., 24, 2014
1ELA
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ANALOGOUS INHIBITORS OF ELASTASE DO NOT ALWAYS BIND ANALOGOUSLY
Descriptor:ELASTASE, 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide, CALCIUM ION, ...
Authors:Mattos, C., Rasmussen, B., Ding, X., Petsko, G.A., Ringe, D.
Deposit date:1993-12-07
Release date:1994-04-30
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
1ELB
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ANALOGOUS INHIBITORS OF ELASTASE DO NOT ALWAYS BIND ANALOGOUSLY
Descriptor:ELASTASE, 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide, CALCIUM ION, ...
Authors:Mattos, C., Rasmussen, B., Ding, X., Petsko, G.A., Ringe, D.
Deposit date:1993-12-07
Release date:1994-06-22
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
1ELC
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ANALOGOUS INHIBITORS OF ELASTASE DO NOT ALWAYS BIND ANALOGOUSLY
Descriptor:ELASTASE, 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide, CALCIUM ION
Authors:Mattos, C., Rasmussen, B., Ding, X., Petsko, G.A., Ringe, D.
Deposit date:1993-12-07
Release date:1994-04-30
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
5Y14
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CRYSTAL STRUCTURE OF LP-40/N44
Descriptor:N44, LP-40
Authors:Zhang, X., Wang, X., He, Y.
Deposit date:2017-07-19
Release date:2017-11-08
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Enfuvirtide (T20)-Based Lipopeptide Is a Potent HIV-1 Cell Fusion Inhibitor: Implications for Viral Entry and Inhibition
J. Virol., 91, 2017
1GHD
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CRYSTAL STRUCTURE OF THE GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE BY MAD PHASING
Descriptor:GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE
Authors:Ding, Y., Jiang, W., Mao, X., He, H., Zhang, S., Tang, H., Bartlam, M., Ye, S., Jiang, F., Liu, Y., Zhao, G., Rao, Z.
Deposit date:2000-12-07
Release date:2003-07-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Affinity alkylation of the Trp-B4 residue of the beta -subunit of the glutaryl 7-aminocephalosporanic acid acylase of Pseudomonas sp. 130.
J.Biol.Chem., 277, 2002
5ZCX
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STRUCTURE OF T20/N39
Descriptor:Envelope glycoprotein, Envelope glycoprotein gp160
Authors:Zhang, X.J., Ding, X.H.
Deposit date:2018-02-21
Release date:2018-10-10
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural and functional characterization of HIV-1 cell fusion inhibitor T20.
AIDS, 33, 2019
5Z2C
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CRYSTAL STRUCTURE OF ALPK-1 N-TERMINAL DOMAIN IN COMPLEX WITH ADP-HEPTOSE
Descriptor:Alpha-protein kinase 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Authors:Ding, J., She, Y., Shao, F.
Deposit date:2018-01-02
Release date:2018-08-22
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Alpha-kinase 1 is a cytosolic innate immune receptor for bacterial ADP-heptose.
Nature, 561, 2018
5YC0
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CRYSTAL STRUCTURE OF LP-46/N44
Descriptor:Envelope glycoprotein, LP-46
Authors:Zhang, X., Wang, X., He, Y.
Deposit date:2017-09-05
Release date:2018-02-14
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exceptional potency and structural basis of a T1249-derived lipopeptide fusion inhibitor against HIV-1, HIV-2, and simian immunodeficiency virus
J. Biol. Chem., 293, 2018
4RX0
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CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE BOUND WITH INHIBITOR DSM265
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, ...
Authors:Deng, X., Phillips, M., Tomchick, D.
Deposit date:2014-12-08
Release date:2015-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
5BOO
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CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE BOUND WITH INHIBITOR DSM265
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, ...
Authors:Phillips, M., Deng, X., Tomchick, D.
Deposit date:2015-05-27
Release date:2015-07-29
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
4MF0
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ITK KINASE DOMAIN IN COMPLEX WITH BENZOTHIAZOLE INHIBITOR COMPOUND 12A (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE (12A)
Descriptor:Tyrosine-protein kinase ITK/TSK, (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2013-08-27
Release date:2013-11-13
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
Bioorg.Med.Chem.Lett., 23, 2013
4MF1
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ITK KINASE DOMAIN IN COMPLEX WITH BENZOTHIAZOLE INHIBITOR 12B (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(1H-PYRAZOL-4-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE
Descriptor:Tyrosine-protein kinase ITK/TSK, (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2013-08-27
Release date:2013-11-13
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
Bioorg.Med.Chem.Lett., 23, 2013
4PP9
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ITK KINASE DOMAIN WITH COMPOUND 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE)
Descriptor:Tyrosine-protein kinase ITK/TSK, SULFATE ION, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4PPA
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ITK KINASE DOMAIN WITH COMPOUND 11 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor:Tyrosine-protein kinase ITK/TSK, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4PPB
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ITK KINASE DOMAIN WITH COMPOUND 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor:Tyrosine-protein kinase ITK/TSK, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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