1L2K
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![BU of 1l2k by Molmil](/molmil-images/mine/1l2k) | Neutron Structure Determination of Sperm Whale Met-Myoglobin at 1.5A Resolution. | Descriptor: | AMMONIUM CATION WITH D, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ostermann, A, Tanaka, I, Engler, N, Niimura, N, Parak, F.G. | Deposit date: | 2002-02-21 | Release date: | 2002-08-21 | Last modified: | 2024-04-03 | 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
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1DO7
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![BU of 1do7 by Molmil](/molmil-images/mine/1do7) | CARBONMONOXY-MYOGLOBIN (MUTANT L29W) REBINDING STRUCTURE AFTER PHOTOLYSIS AT T< 180K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ostermann, A, Waschipky, R, Parak, F.G, Nienhaus, G.U. | Deposit date: | 1999-12-19 | Release date: | 2000-01-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Ligand binding and conformational motions in myoglobin. Nature, 404, 2000
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1DO1
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![BU of 1do1 by Molmil](/molmil-images/mine/1do1) | CARBONMONOXY-MYOGLOBIN MUTANT L29W AT 105K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ostermann, A, Waschipky, R, Parak, F.G, Nienhaus, G.U. | Deposit date: | 1999-12-18 | Release date: | 2000-01-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ligand binding and conformational motions in myoglobin. Nature, 404, 2000
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1DO4
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![BU of 1do4 by Molmil](/molmil-images/mine/1do4) | CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER PHOTOLYSIS AT T<180K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ostermann, A, Waschipky, R, Parak, F.G, Nienhaus, G.U. | Deposit date: | 1999-12-18 | Release date: | 2000-01-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Ligand binding and conformational motions in myoglobin. Nature, 404, 2000
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1DO3
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![BU of 1do3 by Molmil](/molmil-images/mine/1do3) | CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER PHOTOLYSIS AT T>180K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ostermann, A, Waschipky, R, Parak, F.G, Nienhaus, G.U. | Deposit date: | 1999-12-18 | Release date: | 2000-01-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Ligand binding and conformational motions in myoglobin. Nature, 404, 2000
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6XV4
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![BU of 6xv4 by Molmil](/molmil-images/mine/6xv4) | Neutron structure of ferric ascorbate peroxidase-ascorbate complex | Descriptor: | ASCORBIC ACID, Ascorbate peroxidase, POTASSIUM ION, ... | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | Deposit date: | 2020-01-21 | Release date: | 2020-03-18 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L27
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![BU of 6l27 by Molmil](/molmil-images/mine/6l27) | X-ray crystal structure of the mutant green fluorescent protein | Descriptor: | Green fluorescent protein | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kagotani, Y, Ostermann, A, Schrader, T.E. | Deposit date: | 2019-10-02 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.77 Å) | Cite: | Direct Observation of the Protonation States in the Mutant Green Fluorescent Protein. J Phys Chem Lett, 11, 2020
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6L26
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![BU of 6l26 by Molmil](/molmil-images/mine/6l26) | Neutron crystal structure of the mutant green fluorescent protein (EGFP) | Descriptor: | Green fluorescent protein, trideuteriooxidanium | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kagotani, Y, Ostermann, A, Schrader, T.E. | Deposit date: | 2019-10-02 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | NEUTRON DIFFRACTION (1.444 Å) | Cite: | Direct Observation of the Protonation States in the Mutant Green Fluorescent Protein. J Phys Chem Lett, 11, 2020
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6TAE
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![BU of 6tae by Molmil](/molmil-images/mine/6tae) | Neutron structure of ferric ascorbate peroxidase | Descriptor: | Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | Deposit date: | 2019-10-29 | Release date: | 2020-03-18 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
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2ZWB
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![BU of 2zwb by Molmil](/molmil-images/mine/2zwb) | Neutron crystal structure of wild type human lysozyme in D2O | Descriptor: | Lysozyme C | Authors: | Chiba-Kamoshida, K, Matsui, T, Chatake, T, Ohhara, T, Ostermann, A, Tanaka, I, Yutani, K, Niimura, N. | Deposit date: | 2008-12-02 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | NEUTRON DIFFRACTION (1.8 Å) | Cite: | Site-specific softening of peptide bonds by localized deuterium observed by neutron crystallography of human lysozyme To be Published
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3FE0
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![BU of 3fe0 by Molmil](/molmil-images/mine/3fe0) | X-ray crystal structure of wild type human lysozyme in D2O | Descriptor: | Lysozyme C | Authors: | Chiba-Kamoshida, K, Matsui, T, Chatake, T, Ohhara, T, Ostermann, A, Tanaka, I, Yutani, K, Niimura, N. | Deposit date: | 2008-11-27 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Site-specific softening of peptide bonds by localized deuterium observed by neutron crystallography of human lysozyme hydrogen To be Published
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7F4X
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![BU of 7f4x by Molmil](/molmil-images/mine/7f4x) | Joint neutron and X-ray crystal structure of the nucleotide-binding domain of Hsp72 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ... | Authors: | Yokoyama, T, Ostermann, A, Schrader, T.E. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | Cite: | Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP. Iucrj, 9, 2022
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5CG5
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![BU of 5cg5 by Molmil](/molmil-images/mine/5cg5) | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION | Authors: | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | Deposit date: | 2015-07-09 | Release date: | 2015-10-14 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION | Cite: | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase J.Med.Chem., 58, 2015
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2BLH
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![BU of 2blh by Molmil](/molmil-images/mine/2blh) | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W Biochemistry, 44, 2005
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5CG6
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![BU of 5cg6 by Molmil](/molmil-images/mine/5cg6) | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | Authors: | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | Deposit date: | 2015-07-09 | Release date: | 2015-10-14 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase J.Med.Chem., 58, 2015
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2BLJ
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![BU of 2blj by Molmil](/molmil-images/mine/2blj) | Structure of L29W MbCO | Descriptor: | CARBON MONOXIDE, 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W Biochemistry, 44, 2005
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2BLI
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![BU of 2bli by Molmil](/molmil-images/mine/2bli) | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W Biochemistry, 44, 2005
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4CVI
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![BU of 4cvi by Molmil](/molmil-images/mine/4cvi) | 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: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION | Cite: | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase Science, 345, 2014
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4CVJ
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![BU of 4cvj by Molmil](/molmil-images/mine/4cvj) | 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: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.182 Å), X-RAY DIFFRACTION | Cite: | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase Science, 345, 2014
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4XQD
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![BU of 4xqd by Molmil](/molmil-images/mine/4xqd) | X-ray structure analysis of xylanase-WT at pH4.0 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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: | 2023-09-27 | 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
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4XQW
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![BU of 4xqw by Molmil](/molmil-images/mine/4xqw) | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | 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
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4XPV
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![BU of 4xpv by Molmil](/molmil-images/mine/4xpv) | 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: | 2023-09-27 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY 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
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4XQ4
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![BU of 4xq4 by Molmil](/molmil-images/mine/4xq4) | 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: | 2023-09-27 | 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
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5ZN0
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![BU of 5zn0 by Molmil](/molmil-images/mine/5zn0) | Joint X-ray/neutron structure of protein kinase ck2 alpha subunit | Descriptor: | Casein kinase II subunit alpha, SULFATE ION | Authors: | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Ostermann, A, Schrader, T.E, Sunami, T, Kuroki, R, Adachi, M. | Deposit date: | 2018-04-07 | Release date: | 2018-11-21 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | Cite: | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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6AJZ
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![BU of 6ajz by Molmil](/molmil-images/mine/6ajz) | Joint nentron and X-ray structure of BRD4 in complex with colchicin | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, SODIUM ION | Authors: | Yokoyama, T, Ostermann, A, Schrader, T.E, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-08-28 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | NEUTRON DIFFRACTION (1.301 Å), X-RAY DIFFRACTION | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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