Author results

6JCJ
  • Download 6jcj
  • View 6jcj
Molmil generated image of 6jcj
STRUCTURE OF CROLIBULIN IN COMPLEX WITH TUBULIN
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Zhang, Z., Yang, J.
Deposit date:2019-01-29
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism of crolibulin in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 511, 2019
2OBS
  • Download 2obs
  • View 2obs
Molmil generated image of 2obs
CRYSTAL STRUCTURES OF P DOMAIN OF NOROVIRUS VA387 IN COMPLEX WITH BLOOD GROUP TRISACCHARIDES TYPE A
Descriptor:Capsid protein, ALPHA-L-FUCOSE, beta-D-gulopyranose, ...
Authors:Cao, S., Li, X., Rao, Z.
Deposit date:2006-12-20
Release date:2007-04-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Recognition of Blood Group Trisaccharides by Norovirus
J.Virol., 81, 2007
2OBT
  • Download 2obt
  • View 2obt
Molmil generated image of 2obt
CRYSTAL STRUCTURES OF P DOMAIN OF NOROVIRUS VA387 IN COMPLEX WITH BLOOD GROUP TRISACCHARIDES TYPE B
Descriptor:Capsid protein, ALPHA-L-FUCOSE, BETA-D-GALACTOSE, ...
Authors:Cao, S., Li, X., Rao, Z.
Deposit date:2006-12-20
Release date:2007-04-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Recognition of Blood Group Trisaccharides by Norovirus
J.Virol., 81, 2007
5U5H
  • Download 5u5h
  • View 5u5h
Molmil generated image of 5u5h
CRYSTAL STRUCTURE OF EED IN COMPLEX WITH 6-(2-FLUORO-5-METHOXYBENZYL)-1-ISOPROPYL-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-3-AMINE 6-(2-FLUORO-5-METHOXYBENZYL)-1-ISOPROPYL-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-3-AMINE
Descriptor:Polycomb protein EED, (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL
Authors:Bussiere, D., Shu, W.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5K
  • Download 5u5k
  • View 5u5k
Molmil generated image of 5u5k
CRYSTAL STRUCTURE OF EED IN COMPLEX WITH 3-(3-METHOXYBENZYL)PIPERIDINE HYDROCHLORIDE
Descriptor:Polycomb protein EED, FORMIC ACID, (3R)-3-[(3-methoxyphenyl)methyl]piperidine
Authors:Bussiere, D., Shu, W.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5T
  • Download 5u5t
  • View 5u5t
Molmil generated image of 5u5t
CRYSTAL STRUCTURE OF EED IN COMPLEX WITH H3K27ME3 PEPTIDE AND 3-(BENZO[D][1,3]DIOXOL-4-YLMETHYL)PIPERIDINE-1-CARBOXIMIDAMIDE
Descriptor:Polycomb protein EED, Histone-lysine N-methyltransferase EZH2, (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, ...
Authors:Bussiere, D., Shu, W.
Deposit date:2016-12-07
Release date:2017-01-11
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U62
  • Download 5u62
  • View 5u62
Molmil generated image of 5u62
CRYSTAL STRUCTURE OF EED IN COMPLEX WITH H3K27ME3 PEPTIDE AND 6-(BENZO[D][1,3]DIOXOL-4-YLMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-3-AMINE
Descriptor:Polycomb protein EED, Histone-lysine N-methyltransferase EZH2, GLYCEROL, ...
Authors:Bussiere, D., Shu, W.
Deposit date:2016-12-07
Release date:2017-01-11
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5XUR
  • Download 5xur
  • View 5xur
Molmil generated image of 5xur
CRYSTAL STRUCTURE OF RV2466C C22S MUTANT
Descriptor:Thioredoxin-like reductase Rv2466c, 1,2-ETHANEDIOL, CHLORIDE ION
Authors:Zhang, X., Li, H.
Deposit date:2017-06-25
Release date:2018-03-14
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Identification of a Mycothiol-Dependent Nitroreductase from Mycobacterium tuberculosis.
ACS Infect Dis, 4, 2018
4CSS
  • Download 4css
  • View 4css
Molmil generated image of 4css
CRYSTAL STRUCTURE OF FIMH IN COMPLEX WITH A SULFONAMIDE BIPHENYL ALPHA D-MANNOSIDE
Descriptor:PROTEIN FIMH, 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL
Authors:Kleeb, S., Pang, L., Mayer, K., Sigl, A., Eris, D., Preston, R.C., Zihlmann, P., Abgottspon, D., Hutter, A., Scharenberg, M., Jian, X., Navarra, G., Rabbani, S., Smiesko, M., Luedin, N., Jakob, R.P., Schwardt, O., Maier, T., Sharpe, T., Ernst, B.
Deposit date:2014-03-10
Release date:2015-02-25
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
4CST
  • Download 4cst
  • View 4cst
Molmil generated image of 4cst
CRYSTAL STRUCTURE OF FIMH IN COMPLEX WITH 3'-CHLORO-4'-(ALPHA-D-MANNOPYRANOSYLOXY)-BIPHENYL-4-CARBONITRILE
Descriptor:PROTEIN FIMH, 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile
Authors:Kleeb, S., Pang, L., Mayer, K., Sigl, A., Eris, D., Preston, R.C., Zihlmann, P., Abgottspon, D., Hutter, A., Scharenberg, M., Jian, X., Navarra, G., Rabbani, S., Smiesko, M., Luedin, N., Jakob, R.P., Schwardt, O., Maier, T., Sharpe, T., Ernst, B.
Deposit date:2014-03-10
Release date:2015-02-25
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
5JDR
  • Download 5jdr
  • View 5jdr
Molmil generated image of 5jdr
STRUCTURE OF PD-L1
Descriptor:Programmed cell death 1 ligand 1
Authors:Zhou, A., Wei, H.
Deposit date:2016-04-17
Release date:2017-04-12
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade.
Cell Discov, 3, 2017
5JDS
  • Download 5jds
  • View 5jds
Molmil generated image of 5jds
CRYSTAL STRUCTURE OF PD-L1 COMPLEXED WITH A NANOBODY AT 1.7 ANGSTRON RESOLUTION
Descriptor:Nanobody, Programmed cell death 1 ligand 1, SODIUM ION, ...
Authors:Zhou, A., Wei, H.
Deposit date:2016-04-17
Release date:2017-04-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade.
Cell Discov, 3, 2017
5VNP
  • Download 5vnp
  • View 5vnp
Molmil generated image of 5vnp
X-RAY CRYSTAL STRUCTURE OF HALOTAG BOUND TO THE P1 BENZOXADIAZOLE FLUOROGENIC LIGAND
Descriptor:Haloalkane dehalogenase, N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide, CHLORIDE ION
Authors:Dunham, N.P., Boal, A.K.
Deposit date:2017-05-01
Release date:2017-06-14
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:AgHalo: A Facile Fluorogenic Sensor to Detect Drug-Induced Proteome Stress.
Angew. Chem. Int. Ed. Engl., 56, 2017
5XVA
  • Download 5xva
  • View 5xva
Molmil generated image of 5xva
CRYSTAL STRUCTURE OF PAK4 IN COMPLEX WITH INHIBITOR CZH216
Descriptor:Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone, ETHANOL
Authors:Zhao, F., Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVF
  • Download 5xvf
  • View 5xvf
Molmil generated image of 5xvf
CRYSTAL STRUCTURE OF PAK4 IN COMPLEX WITH INHIBITOR CZH062
Descriptor:Serine/threonine-protein kinase PAK 4, 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine
Authors:Zhao, F., Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVG
  • Download 5xvg
  • View 5xvg
Molmil generated image of 5xvg
CRYSTAL STRUCTURE OF PAK4 IN COMPLEX WITH INHIBITOR CZH226
Descriptor:Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone, ETHANOL, ...
Authors:Zhao, F., Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
6CEZ
  • Download 6cez
  • View 6cez
Molmil generated image of 6cez
CRYSTAL STRUCTURE OF RABBIT ANTI-HIV-1 GP120 V2 FAB 16C2 IN COMPLEX WITH V2 PEPTIDE CONB
Descriptor:Light chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, HIV-1 gp120 V2 Peptide Con B
Authors:Kong, X., Pan, R.
Deposit date:2018-02-13
Release date:2018-09-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Select gp120 V2 domain specific antibodies derived from HIV and SIV infection and vaccination inhibit gp120 binding to alpha 4 beta 7.
PLoS Pathog., 14, 2018
2PL5
  • Download 2pl5
  • View 2pl5
Molmil generated image of 2pl5
CRYSTAL STRUCTURE OF HOMOSERINE O-ACETYLTRANSFERASE FROM LEPTOSPIRA INTERROGANS
Descriptor:Homoserine O-acetyltransferase, GLYCEROL
Authors:Liu, L., Wang, M., Wang, Y., Wei, Z., Xu, H., Gong, W.
Deposit date:2007-04-19
Release date:2007-11-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans
Biochem.Biophys.Res.Commun., 363, 2007
2R7C
  • Download 2r7c
  • View 2r7c
Molmil generated image of 2r7c
CRYSTALLOGRAPHIC AND BIOCHEMICAL ANALYSIS OF ROTAVIRUS NSP2 WITH NUCLEOTIDES REVEALS AN NDP KINASE LIKE ACTIVITY
Descriptor:Non-structural RNA-binding protein 35, PHOSPHATE ION
Authors:Kumar, M., Prasad, B.V.V.
Deposit date:2007-09-07
Release date:2007-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity
J.Virol., 81, 2007
2R7J
  • Download 2r7j
  • View 2r7j
Molmil generated image of 2r7j
CRYSTAL STRUCTURE OF ROTAVIRUS NON STRUCTURAL PROTEIN NSP2 WITH H225A MUTATION
Descriptor:Non-structural RNA-binding protein 35
Authors:Kumar, M., Jayaram, H., Prasad, B.V.V.
Deposit date:2007-09-09
Release date:2007-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity
J.Virol., 81, 2007
2R7P
  • Download 2r7p
  • View 2r7p
Molmil generated image of 2r7p
CRYSTAL STRUCTURE OF H225A NSP2 AND AMPPNP COMPLEX
Descriptor:Non-structural RNA-binding protein 35, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Kumar, M., Prasad, B.V.V.
Deposit date:2007-09-09
Release date:2007-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity
J.Virol., 81, 2007
2R8F
  • Download 2r8f
  • View 2r8f
Molmil generated image of 2r8f
CRYSTAL STRUCTURE OF H225A NSP2 AND ATP-GS COMPLEX
Descriptor:Non-structural RNA-binding protein 35, PHOSPHATE ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Kumar, M., Prasad, B.V.V.
Deposit date:2007-09-10
Release date:2007-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity
J.Virol., 81, 2007
3BY1
  • Download 3by1
  • View 3by1
Molmil generated image of 3by1
UNLIGANDED NORVALK VIRUS P DOMAIN
Descriptor:58 kd capsid protein
Authors:Hegde, R., Bu, W.
Deposit date:2008-01-15
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
3BY2
  • Download 3by2
  • View 3by2
Molmil generated image of 3by2
NORWALK P POLYPEPTIDE (228-523)
Descriptor:58 kd capsid protein
Authors:Hegde, R., Bu, W.
Deposit date:2008-01-15
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
3D26
  • Download 3d26
  • View 3d26
Molmil generated image of 3d26
NORWALK P DOMAIN A-TRISACCHARIDE COMPLEX
Descriptor:58 kd capsid protein, N-ACETYL-D-GALACTOSAMINE, BETA-D-GALACTOSE, ...
Authors:Hegde, R., Bu, W.
Deposit date:2008-05-07
Release date:2008-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008