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1DO1
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CARBONMONOXY-MYOGLOBIN MUTANT L29W AT 105K
Descriptor:MYOGLOBIN, ALPHA-D-GLUCOSE, SULFATE ION, ...
Authors:Ostermann, A., Waschipky, R., Parak, F.G., Nienhaus, G.U.
Deposit date:1999-12-18
Release date:2000-01-05
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ligand binding and conformational motions in myoglobin.
Nature, 404, 2000
1DO3
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CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER PHOTOLYSIS AT T>180K
Descriptor:MYOGLOBIN, ALPHA-D-GLUCOSE, SULFATE ION, ...
Authors:Ostermann, A., Waschipky, R., Parak, F.G., Nienhaus, G.U.
Deposit date:1999-12-18
Release date:2000-01-05
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Ligand binding and conformational motions in myoglobin.
Nature, 404, 2000
1DO4
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CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER PHOTOLYSIS AT T<180K
Descriptor:MYOGLOBIN, ALPHA-D-GLUCOSE, SULFATE ION, ...
Authors:Ostermann, A., Waschipky, R., Parak, F.G., Nienhaus, G.U.
Deposit date:1999-12-18
Release date:2000-01-05
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand binding and conformational motions in myoglobin.
Nature, 404, 2000
1DO7
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CARBONMONOXY-MYOGLOBIN (MUTANT L29W) REBINDING STRUCTURE AFTER PHOTOLYSIS AT T< 180K
Descriptor:MYOGLOBIN, ALPHA-D-GLUCOSE, SULFATE ION, ...
Authors:Ostermann, A., Waschipky, R., Parak, F.G., Nienhaus, G.U.
Deposit date:1999-12-19
Release date:2000-01-05
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ligand binding and conformational motions in myoglobin.
Nature, 404, 2000
1L2K
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NEUTRON STRUCTURE DETERMINATION OF SPERM WHALE MET-MYOGLOBIN AT 1.5A RESOLUTION.
Descriptor:MYOGLOBIN, SULFATE ION, AMMONIUM CATION WITH D, ...
Authors:Ostermann, A., Tanaka, I., Engler, N., Niimura, N., Parak, F.G.
Deposit date:2002-02-21
Release date:2002-08-21
Last modified:2011-07-13
Method:NEUTRON DIFFRACTION (1.5 Å)
Cite:Hydrogen and deuterium in myoglobin as seen by a neutron structure determination at 1.5 A resolution.
Biophys.Chem., 95, 2002
6EXY
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NEUTRON CRYSTAL STRUCTURE OF PERDEUTERATED GALECTIN-3C IN COMPLEX WITH GLYCEROL
Descriptor:Galectin-3, GLYCEROL
Authors:Manzoni, F., Schrader, T.E., Ostermann, A., Oksanen, E., Logan, D.T.
Deposit date:2017-11-10
Release date:2018-09-12
Method:X-RAY DIFFRACTION (1.1 Å), NEUTRON DIFFRACTION
Cite:Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
4CVI
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NEUTRON STRUCTURE OF FERRIC CYTOCHROME C PEROXIDASE - DEUTERIUM EXCHANGED AT ROOM TEMPERATURE
Descriptor:CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Casadei, C.M., Gumiero, A., Blakeley, M.P., Ostermann, A., Raven, E.L., Moody, P.C.E.
Deposit date:2014-03-27
Release date:2014-07-16
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.1 Å), NEUTRON DIFFRACTION
Cite:Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
4CVJ
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NEUTRON STRUCTURE OF COMPOUND I INTERMEDIATE OF CYTOCHROME C PEROXIDASE - DEUTERIUM EXCHANGED 100 K
Descriptor:CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Casadei, C.M., Gumiero, A., Blakeley, M.P., Ostermann, A., Raven, E.L., Moody, P.C.E.
Deposit date:2014-03-27
Release date:2014-07-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.182 Å), NEUTRON DIFFRACTION
Cite:Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
4XPV
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NEUTRON AND X-RAY STRUCTURE ANALYSIS OF XYLANASE: N44D AT PH6
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-18
Release date:2015-09-30
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.7 Å), NEUTRON DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQ4
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X-RAY STRUCTURE ANALYSIS OF XYLANASE - N44D
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQD
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X-RAY STRUCTURE ANALYSIS OF XYLANASE-WT AT PH4.0
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQW
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X-RAY STRUCTURE ANALYSIS OF XYLANASE-N44E WITH MES AT PH6.0
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
5MNX
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NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN COMPLEX WITH 2-AMINOPYRIDINE
Descriptor:Cationic trypsin, CALCIUM ION, 2-AMINOPYRIDINE
Authors:Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
Deposit date:2016-12-13
Release date:2017-05-24
Last modified:2018-11-14
Method:NEUTRON DIFFRACTION (1.42 Å)
Cite:Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MNY
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NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN COMPLEX WITH ANILINE
Descriptor:Cationic trypsin, CALCIUM ION, phenylazanium
Authors:Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
Deposit date:2016-12-13
Release date:2017-05-24
Last modified:2018-11-14
Method:NEUTRON DIFFRACTION (1.43 Å)
Cite:Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MNZ
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NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN ITS APO FORM
Descriptor:Cationic trypsin, CALCIUM ION
Authors:Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2018-11-14
Method:NEUTRON DIFFRACTION (1.45 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MO0
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NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN COMPLEX WITH BENZAMIDINE
Descriptor:Cationic trypsin, CALCIUM ION, BENZAMIDINE
Authors:Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
Deposit date:2016-12-13
Release date:2018-02-28
Last modified:2018-11-14
Method:NEUTRON DIFFRACTION (1.502 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MO2
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NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN COMPLEX WITH N-AMIDINOPIPERIDINE
Descriptor:Cationic trypsin, CALCIUM ION, [azanyl(piperidin-1-yl)methylidene]azanium, ...
Authors:Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
Deposit date:2016-12-13
Release date:2018-02-28
Last modified:2018-11-14
Method:NEUTRON DIFFRACTION (1.5 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MON
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JOINT X-RAY/NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN COMPLEX WITH 2-AMINOPYRIDINE
Descriptor:Cationic trypsin, CALCIUM ION, 2-AMINOPYRIDINE, ...
Authors:Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
Deposit date:2016-12-14
Release date:2017-05-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (0.939 Å), NEUTRON DIFFRACTION
Cite:Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MOO
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JOINT X-RAY/NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN COMPLEX WITH ANILINE
Descriptor:Cationic trypsin, CALCIUM ION, phenylazanium, ...
Authors:Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
Deposit date:2016-12-14
Release date:2017-05-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.441 Å), NEUTRON DIFFRACTION
Cite:Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MOP
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JOINT X-RAY/NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN ITS APO FORM
Descriptor:Cationic trypsin, CALCIUM ION, SULFATE ION
Authors:Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
Deposit date:2016-12-14
Release date:2018-01-17
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (0.99 Å), NEUTRON DIFFRACTION
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MOQ
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JOINT X-RAY/NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN COMPLEX WITH BENZAMIDINE
Descriptor:Cationic trypsin, CALCIUM ION, BENZAMIDINE, ...
Authors:Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (0.93 Å), NEUTRON DIFFRACTION
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MOS
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JOINT X-RAY/NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN COMPLEX WITH N-AMIDINOPIPERIDINE
Descriptor:Cationic trypsin, CALCIUM ION, [azanyl(piperidin-1-yl)methylidene]azanium, ...
Authors:Schiebel, J., Schrader, T.E., Ostermann, A., Heine, A., Klebe, G.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (0.96 Å), NEUTRON DIFFRACTION
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
2BLH
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LIGAND MIGRATION AND PROTEIN FLUCTUATIONS IN MYOGLOBIN MUTANT L29W
Descriptor:MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nienhaus, K., Ostermann, A., Nienhaus, G.U., Parak, F.G., Schmidt, M.
Deposit date:2005-03-04
Release date:2005-04-06
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W
Biochemistry, 44, 2005
2BLI
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L29W MB DEOXY
Descriptor:MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nienhaus, K., Ostermann, A., Nienhaus, G.U., Parak, F.G., Schmidt, M.
Deposit date:2005-03-04
Release date:2005-04-06
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W
Biochemistry, 44, 2005
2BLJ
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STRUCTURE OF L29W MBCO
Descriptor:MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, CARBON MONOXIDE
Authors:Nienhaus, K., Ostermann, A., Nienhaus, G.U., Parak, F.G., Schmidt, M.
Deposit date:2005-03-04
Release date:2005-04-06
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W
Biochemistry, 44, 2005