Author results

2H60
  • Download 2h60
  • View 2h60
Molmil generated image of 2h60
SOLUTION STRUCTURE OF HUMAN BRG1 BROMODOMAIN
Descriptor:Probable global transcription activator SNF2L4
Authors:Shen, W., Xu, C., Zhang, J., Wu, J., Shi, Y.
Deposit date:2006-05-30
Release date:2007-02-13
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of human Brg1 bromodomain and its specific binding to acetylated histone tails
Biochemistry, 46, 2007
3N9T
  • Download 3n9t
  • View 3n9t
Molmil generated image of 3n9t
CRYATAL STRUCTURE OF HYDROXYQUINOL 1,2-DIOXYGENASE FROM PSEUDOMONAS PUTIDA DLL-E4
Descriptor:PnpC, 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, CITRATE ANION, ...
Authors:Liu, W., Shen, W., Fang, P., Li, J., Cui, Z.
Deposit date:2010-05-31
Release date:2010-08-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cryatal structure of Hydroxyquinol 1,2-dioxygenase from Pseudomonas putida DLL-E4
To be Published
1AOA
  • Download 1aoa
  • View 1aoa
Molmil generated image of 1aoa
N-TERMINAL ACTIN-CROSSLINKING DOMAIN FROM HUMAN FIMBRIN
Descriptor:T-FIMBRIN
Authors:Goldsmith, S.C., Pokala, N., Shen, W., Fedorov, A.A., Matsudaira, P., Almo, S.C.
Deposit date:1997-06-30
Release date:1997-12-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of an actin-crosslinking domain from human fimbrin.
Nat.Struct.Biol., 4, 1997
1T48
  • Download 1t48
  • View 1t48
Molmil generated image of 1t48
ALLOSTERIC INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE
Authors:Wiesmann, C., Barr, K.J., Kung, J., Zhu, J., Shen, W., Fahr, B.J., Zhong, M., Erlanson, D.A., Taylor, L., Randal, M., McDowell, R.S., Hansen, S.K.
Deposit date:2004-04-28
Release date:2004-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
1T49
  • Download 1t49
  • View 1t49
Molmil generated image of 1t49
ALLOSTERIC INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, MAGNESIUM ION, ...
Authors:Wiesmann, C., Barr, K.J., Kung, J., Zhu, J., Shen, W., Fahr, B.J., Zhong, M., Taylor, L., Randal, M., McDowell, R.S., Hansen, S.K.
Deposit date:2004-04-28
Release date:2004-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric inhibition of protein tyrosine phosphatase 1B.
Nat.Struct.Mol.Biol., 11, 2004
1T4J
  • Download 1t4j
  • View 1t4j
Molmil generated image of 1t4j
ALLOSTERIC INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE
Authors:Wiesmann, C., Barr, K.J., Kung, J., Zhu, J., Shen, W., Fahr, B.J., Zhong, M., Taylor, L., Randal, M., McDowell, R.S., Hansen, S.K.
Deposit date:2004-04-29
Release date:2004-07-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
1YSG
  • Download 1ysg
  • View 1ysg
Molmil generated image of 1ysg
SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH "SAR BY NMR" LIGANDS
Descriptor:Apoptosis regulator Bcl-X, 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSI
  • Download 1ysi
  • View 1ysi
Molmil generated image of 1ysi
SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSN
  • Download 1ysn
  • View 1ysn
Molmil generated image of 1ysn
SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL COMPLEXED WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSW
  • Download 1ysw
  • View 1ysw
Molmil generated image of 1ysw
SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 COMPLEXED WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-2, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-09
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSX
  • Download 1ysx
  • View 1ysx
Molmil generated image of 1ysx
SOLUTION STRUCTURE OF DOMAIN 3 FROM HUMAN SERUM ALBUMIN COMPLEXED TO AN ANTI-APOPTOTIC LIGAND DIRECTED AGAINST BCL-XL AND BCL-2
Descriptor:Serum albumin, 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-09
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
2H2Z
  • Download 2h2z
  • View 2h2z
Molmil generated image of 2h2z
CRYSTAL STRUCTURE OF SARS-COV MAIN PROTEASE WITH AUTHENTIC N AND C-TERMINI
Descriptor:Replicase polyprotein 1ab
Authors:Yang, H., Xue, X., Shen, W., Zhao, Q., Rao, Z.
Deposit date:2006-05-20
Release date:2007-04-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
2HOB
  • Download 2hob
  • View 2hob
Molmil generated image of 2hob
CRYSTAL STRUCTURE OF SARS-COV MAIN PROTEASE WITH AUTHENTIC N AND C-TERMINI IN COMPLEX WITH A MICHAEL ACCEPTOR N3
Descriptor:Replicase polyprotein 1ab, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Xue, X., Yang, H., Shen, W., Zhao, Q., Li, J., Rao, Z.
Deposit date:2006-07-14
Release date:2007-04-03
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
4DT6
  • Download 4dt6
  • View 4dt6
Molmil generated image of 4dt6
CO-CRYSTAL STRUCTURE OF EIF4E WITH INHIBITOR
Descriptor:Eukaryotic translation initiation factor 4E, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), GLYCEROL, ...
Authors:Min, X., Johnstone, S., Walker, N., Wang, Z.
Deposit date:2012-02-20
Release date:2012-04-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
4DUM
  • Download 4dum
  • View 4dum
Molmil generated image of 4dum
CO-CRYSTAL STRUCTURE OF EIF4E WITH INHIBITOR
Descriptor:Eukaryotic translation initiation factor 4E, (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL
Authors:Min, X., Johnstone, S., Walker, N., Wang, Z.
Deposit date:2012-02-22
Release date:2012-04-11
Last modified:2012-06-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
2JRH
  • Download 2jrh
  • View 2jrh
Molmil generated image of 2jrh
SOLUTION STURCTURE OF HUMAN MEKK3 PB1 DOMAIN CIS ISOMER
Descriptor:Mitogen-activated protein kinase kinase kinase 3
Authors:Qi, H., Jiahai, Z., Jihui, W., Yunyu, S.
Deposit date:2007-06-26
Release date:2007-07-10
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Insight into the Binding Properties of MEKK3 PB1 to MEK5 PB1 from Its Solution Structure.
Biochemistry, 46, 2007
3D14
  • Download 3d14
  • View 3d14
Molmil generated image of 3d14
CRYSTAL STRUCTURE OF MOUSE AURORA A (ASN186->GLY, LYS240->ARG, MET302->LEU) IN COMPLEX WITH 1-{5-[2-(THIENO[3,2-D]PYRIMIDIN-4-YLAMINO)-ETHYL]- THIAZOL-2-YL}-3-(3-TRIFLUOROMETHYL-PHENYL)-UREA
Descriptor:serine/threonine kinase 6, 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
Authors:Elling, R.A., Baskaran, S., Allen, D.A., Oslob, J.D., Romanowski, M.J.
Deposit date:2008-05-04
Release date:2008-08-26
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
3D15
  • Download 3d15
  • View 3d15
Molmil generated image of 3d15
CRYSTAL STRUCTURE OF MOUSE AURORA A (ASN186->GLY, LYS240->ARG, MET302->LEU) IN COMPLEX WITH 1-(3-CHLORO-PHENYL)-3-{5-[2-(THIENO[3,2-D]PYRIMIDIN-4-YLAMINO)- ETHYL]-THIAZOL-2-YL}-UREA [SNS-314]
Descriptor:serine/threonine kinase 6, 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea
Authors:Elling, R.A., Bui, M., Allen, D.A., Oslob, J.D., Romanowski, M.J.
Deposit date:2008-05-04
Release date:2009-05-12
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
4FFV
  • Download 4ffv
  • View 4ffv
Molmil generated image of 4ffv
CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE IV (DPP4, DPP-IV, CD26) IN COMPLEX WITH 11A19 FAB
Descriptor:Dipeptidyl peptidase 4, 11A19 Fab light chain, 11A19 Fab heavy chain
Authors:Wang, Z., Sudom, A., Walker, N.P., Min, X.
Deposit date:2012-06-01
Release date:2012-12-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4FFW
  • Download 4ffw
  • View 4ffw
Molmil generated image of 4ffw
CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE IV (DPP4, DPP-IV, CD26) IN COMPLEX WITH FAB + SITAGLIPTIN
Descriptor:Dipeptidyl peptidase 4, Fab light chain, Fab heavy chain, ...
Authors:Wang, Z., Sudom, A., Walker, N.P., Min, X.
Deposit date:2012-06-01
Release date:2012-12-12
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
6ALC
  • Download 6alc
  • View 6alc
Molmil generated image of 6alc
CREBBP BROMODOMAIN IN COMPLEX WITH CPD 4 (1-(1-(CYCLOPROPYLMETHYL)-3-(1H-INDOL-4-YL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL)ETHAN-1-ONE)
Descriptor:CREB-binding protein, DIMETHYL SULFOXIDE, 1,2-ETHANEDIOL, ...
Authors:Murray, J.M.
Deposit date:2017-08-07
Release date:2018-08-08
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300.
Bioorg. Med. Chem. Lett., 28, 2018
2I7K
  • Download 2i7k
  • View 2i7k
Molmil generated image of 2i7k
SOLUTION STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD7 PROTEIN
Descriptor:Bromodomain-containing protein 7
Authors:Sun, H., Liu, J., Zhang, J., Huang, H., Wu, J., Shi, Y.
Deposit date:2006-08-31
Release date:2007-07-10
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of BRD7 bromodomain and its interaction with acetylated peptides from histone H3 and H4
Biochem.Biophys.Res.Commun., 358, 2007
2NWM
  • Download 2nwm
  • View 2nwm
Molmil generated image of 2nwm
SOLUTION STRUCTURE OF THE FIRST SH3 DOMAIN OF HUMAN VINEXIN AND ITS INTERACTION WITH THE PEPTIDES FROM VINCULIN
Descriptor:Vinexin
Authors:Zhang, J., Yao, B., Wu, J., Shi, Y.
Deposit date:2006-11-15
Release date:2007-04-24
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the first SH3 domain of human vinexin and its interaction with vinculin peptides
Biochem.Biophys.Res.Commun., 357, 2007
2PPH
  • Download 2pph
  • View 2pph
Molmil generated image of 2pph
SOLUTION STRUCTURE OF HUMAN MEKK3 PB1 DOMAIN
Descriptor:Mitogen-activated protein kinase kinase kinase 3
Authors:Hu, Q., Zhang, J., Wu, J., Shi, Y.
Deposit date:2007-04-30
Release date:2007-05-22
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Insight into the Binding Properties of MEKK3 PB1 to MEK5 PB1 from Its Solution Structure.
Biochemistry, 46, 2007
2Q6D
  • Download 2q6d
  • View 2q6d
Molmil generated image of 2q6d
CRYSTAL STRUCTURE OF INFECTIOUS BRONCHITIS VIRUS (IBV) MAIN PROTEASE
Descriptor:Infectious bronchitis virus (IBV) main protease
Authors:Xue, X.Y., Yang, H.T., Xue, F., Bartlam, M., Rao, Z.H.
Deposit date:2007-06-04
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
<12>