Author results

1DPR
  • Download 1dpr
  • View 1dpr
Molmil generated image of 1dpr
STRUCTURES OF THE APO-AND METAL ION ACTIVATED FORMS OF THE DIPHTHERIA TOX REPRESSOR FROM CORYNEBACTERIUM DIPHTHERIAE
Descriptor:DIPHTHERIA TOX REPRESSOR
Authors:Schiering, N., Tao, X., Murphy, J., Petsko, G.A., Ringe, D.
Deposit date:1995-02-06
Release date:1995-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the apo- and the metal ion-activated forms of the diphtheria tox repressor from Corynebacterium diphtheriae.
Proc.Natl.Acad.Sci.USA, 92, 1995
1FYR
  • Download 1fyr
  • View 1fyr
Molmil generated image of 1fyr
DIMER FORMATION THROUGH DOMAIN SWAPPING IN THE CRYSTAL STRUCTURE OF THE GRB2-SH2 AC-PYVNV COMPLEX
Descriptor:GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, HEPATOCYTE GROWTH FACTOR RECEPTOR PEPTIDE
Authors:Schiering, N., Casale, E., Caccia, P., Giordano, P., Battistini, C.
Deposit date:2000-10-03
Release date:2000-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dimer formation through domain swapping in the crystal structure of the Grb2-SH2-Ac-pYVNV complex.
Biochemistry, 39, 2000
1R0P
  • Download 1r0p
  • View 1r0p
Molmil generated image of 1r0p
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET IN COMPLEX WITH THE MICROBIAL ALKALOID K-252A
Descriptor:Hepatocyte growth factor receptor, K-252A
Authors:Schiering, N., Knapp, S., Marconi, M., Flocco, M.M., Cui, J., Perego, R., Rusconi, L., Cristiani, C.
Deposit date:2003-09-22
Release date:2003-10-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-Met and its complex with the microbial alkaloid K-252a
Proc.Natl.Acad.Sci.USA, 100, 2003
1R1W
  • Download 1r1w
  • View 1r1w
Molmil generated image of 1r1w
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET
Descriptor:HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:Schiering, N., Knapp, S., Marconi, M., Flocco, M.M., Cui, J., Perego, R., Rusconi, L., Cristiani, C.
Deposit date:2003-09-25
Release date:2003-10-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-Met and its complex with the microbial alkaloid K-252a
Proc.Natl.Acad.Sci.USA, 100, 2003
4A92
  • Download 4a92
  • View 4a92
Molmil generated image of 4a92
FULL-LENGTH HCV NS3-4A PROTEASE-HELICASE IN COMPLEX WITH A MACROCYCLIC PROTEASE INHIBITOR.
Descriptor:SERINE PROTEASE NS3, ZINC ION, (1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE
Authors:Schiering, N., D'Arcy, A., Simic, O., Eder, J., Raman, P., Svergun, D.I., Bodendorf, U.
Deposit date:2011-11-23
Release date:2011-12-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:A Macrocyclic Hcv Ns3/4A Protease Inhibitor Interacts with Protease and Helicase Residues in the Complex with its Full- Length Target.
Proc.Natl.Acad.Sci.USA, 108, 2011
5JMY
  • Download 5jmy
  • View 5jmy
Molmil generated image of 5jmy
NEPRILYSIN COMPLEXED WITH LBQ657
Descriptor:Neprilysin, N-ACETYL-D-GLUCOSAMINE, ZINC ION, ...
Authors:Schiering, N., Wiesmann, C.
Deposit date:2016-04-29
Release date:2016-06-15
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of neprilysin in complex with the active metabolite of sacubitril.
Sci Rep, 6, 2016
4Q1N
  • Download 4q1n
  • View 4q1n
Molmil generated image of 4q1n
STRUCTURE-BASED DESIGN OF 4-HYDROXY-3,5-SUBSTITUTED PIPERIDINES AS DIRECT RENIN INHIBITORS
Descriptor:Renin, DIMETHYL SULFOXIDE, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Schiering, N., D'Arcy, A., Irie, O., Yokokawa, F.
Deposit date:2014-04-04
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
2FOM
  • Download 2fom
  • View 2fom
Molmil generated image of 2fom
DENGUE VIRUS NS2B/NS3 PROTEASE
Descriptor:polyprotein, CHLORIDE ION, GLYCEROL
Authors:Schiering, N., Kroemer, M., Renatus, M., Erbel, P., D'Arcy, A.
Deposit date:2006-01-13
Release date:2006-03-07
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for the activation of flaviviral NS3 proteases from dengue and West Nile virus.
Nat.Struct.Mol.Biol., 13, 2006
2FP7
  • Download 2fp7
  • View 2fp7
Molmil generated image of 2fp7
WEST NILE VIRUS NS2B/NS3PROTEASE IN COMPLEX WITH BZ-NLE-LYS-ARG-ARG-H
Descriptor:Genome polyprotein, N-benzoyl-L-norleucyl-L-lysyl-N-[(2S)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-argininamide
Authors:Schiering, N., D'Arcy, A., Erbel, P.
Deposit date:2006-01-16
Release date:2006-03-07
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural basis for the activation of flaviviral NS3 proteases from dengue and West Nile virus.
Nat.Struct.Mol.Biol., 13, 2006
3NK8
  • Download 3nk8
  • View 3nk8
Molmil generated image of 3nk8
TRYPSIN IN COMPLEX WITH FLUORINE-CONTAINING FRAGMENT
Descriptor:Cationic trypsin, DIMETHYL SULFOXIDE, CALCIUM ION, ...
Authors:Schiering, N., Vulpetti, A., Dalvit, C.
Deposit date:2010-06-18
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
3NKK
  • Download 3nkk
  • View 3nkk
Molmil generated image of 3nkk
TRYPSIN IN COMPLEX WITH FLUORINE CONTAINING FRAGMENT
Descriptor:Cationic trypsin, DIMETHYL SULFOXIDE, CALCIUM ION, ...
Authors:Schiering, N., Vulpetti, A., Dalvit, C.
Deposit date:2010-06-20
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
5LGO
  • Download 5lgo
  • View 5lgo
Molmil generated image of 5lgo
TRYPSIN INHIBITORS FOR THE TREATMENT OF PANCREATITIS - CPD 15
Descriptor:Cationic trypsin, DIMETHYL SULFOXIDE, CALCIUM ION, ...
Authors:Schiering, N., D'Arcy, A.
Deposit date:2016-07-07
Release date:2016-08-10
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
5LH4
  • Download 5lh4
  • View 5lh4
Molmil generated image of 5lh4
TRYPSIN INHIBITORS FOR THE TREATMENT OF PANCREATITIS - CPD 1
Descriptor:Cationic trypsin, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Schiering, N., D'Arcy, A., Skaanderup, P., Simic, O., Brandl, T., Woelcke, J.
Deposit date:2016-07-08
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Trypsin inhibitors for the treatment of pancreatitis.
Bioorg. Med. Chem. Lett., 26, 2016
5LH8
  • Download 5lh8
  • View 5lh8
Molmil generated image of 5lh8
TRYPSIN INHIBITORS FOR THE TREATMENT OF PANCREATITIS - CPD 8
Descriptor:Cationic trypsin, DIMETHYL SULFOXIDE, CALCIUM ION, ...
Authors:Schiering, N., D'Arcy, A., Skaanderup, P., Simic, O., Brandl, T., Woelcke, J.
Deposit date:2016-07-08
Release date:2016-08-10
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
6R8X
  • Download 6r8x
  • View 6r8x
Molmil generated image of 6r8x
COAGULATION FACTOR XI CATALYTIC DOMAIN IN COMPLEX WITH FAB-PORTION OF MAA868
Descriptor:Coagulation factor XI, anti-Factor-XI Fab fragment light chain MAA868, anti-Factor-XI Fab fragment heavy chain MAA868
Authors:Schiering, N., Koch, A.
Deposit date:2019-04-02
Release date:2019-04-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:MAA868, a novel FXI antibody with a unique binding mode, shows durable effects on markers of anticoagulation in humans.
Blood, 133, 2019
2TDX
  • Download 2tdx
  • View 2tdx
Molmil generated image of 2tdx
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
4PYV
  • Download 4pyv
  • View 4pyv
Molmil generated image of 4pyv
CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH COMPOUND4
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, tert-butyl {(3S,5R)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate, ...
Authors:Ostermann, N., Zink, F.
Deposit date:2014-03-28
Release date:2014-10-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
1DDN
  • Download 1ddn
  • View 1ddn
Molmil generated image of 1ddn
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