Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
3Q46
DownloadVisualize
BU of 3q46 by Molmil
Magnesium activated Inorganic pyrophosphatase from Thermococcus thioreducens bound to hydrolyzed product at 0.99 Angstrom resolution
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Hughes, R.C, Coates, L, Meehan, E.J, Ng, J.D.
登録日2010-12-23
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
3Q3L
DownloadVisualize
BU of 3q3l by Molmil
The neutron crystallographic structure of inorganic pyrophosphatase from Thermococcus thioreducens
分子名称: CALCIUM ION, Tt-IPPase
著者Hughes, R.C, Coates, L, Blakeley, M.P, Tomanicek, S.J, Meehan, E.J, Garcia-Ruiz, J.M, Ng, J.D.
登録日2010-12-22
公開日2012-02-08
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (2.5 Å)
主引用文献Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
3Q4W
DownloadVisualize
BU of 3q4w by Molmil
The structure of archaeal inorganic pyrophosphatase in complex with substrate
分子名称: BROMIDE ION, CALCIUM ION, PYROPHOSPHATE 2-, ...
著者Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D.
登録日2010-12-24
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.441 Å)
主引用文献Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
5E5J
DownloadVisualize
BU of 5e5j by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 6.0
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
著者Kovalevsky, A.Y, Gerlits, O.O.
登録日2015-10-08
公開日2016-05-04
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
6K9R
DownloadVisualize
BU of 6k9r by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Li, C, Wan, Q.
登録日2019-06-17
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
5E5K
DownloadVisualize
BU of 5e5k by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease
著者Kovalevsky, A.Y, Das, A.
登録日2015-10-08
公開日2016-05-04
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (1.75 Å), X-RAY DIFFRACTION
主引用文献Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
3TMJ
DownloadVisualize
BU of 3tmj by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II at pH 7.8
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, Z.
登録日2011-08-31
公開日2011-11-09
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Neutron Structure of Human Carbonic Anhydrase II: A Hydrogen-Bonded Water Network "Switch" Is Observed between pH 7.8 and 10.0.
Biochemistry, 50, 2011
3U7T
DownloadVisualize
BU of 3u7t by Molmil
Room temperature ultra-high resolution time-of-flight neutron and X-ray diffraction studies of H/D exchanged crambin
分子名称: Crambin
著者Chen, J.C.-H.
登録日2011-10-14
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Room-temperature ultrahigh-resolution time-of-flight neutron and X-ray diffraction studies of H/D-exchanged crambin.
Acta Crystallogr.,Sect.F, 68, 2012
1LZN
DownloadVisualize
BU of 1lzn by Molmil
NEUTRON STRUCTURE OF HEN EGG-WHITE LYSOZYME
分子名称: NITRATE ION, PROTEIN (LYSOZYME), SODIUM ION
著者Bon, C.I, Lehmann, M.S, Wilkinson, C.
登録日1999-03-23
公開日1999-04-01
最終更新日2023-12-27
実験手法NEUTRON DIFFRACTION (1.7 Å)
主引用文献Quasi-Laue neutron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme.
Acta Crystallogr.,Sect.D, 55, 1999
7D49
DownloadVisualize
BU of 7d49 by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wan, Q, Dealwis, C.
登録日2020-09-23
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D3Z
DownloadVisualize
BU of 7d3z by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wan, Q, Dealwis, C.
登録日2020-09-21
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D4L
DownloadVisualize
BU of 7d4l by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Wan, Q, Dealwis, C.
登録日2020-09-24
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D4X
DownloadVisualize
BU of 7d4x by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wan, Q, Dealwis, C.
登録日2020-09-24
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D6G
DownloadVisualize
BU of 7d6g by Molmil
Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Wan, Q, Dealwis, C.
登録日2020-09-30
公開日2021-06-09
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION
主引用文献Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7JY2
DownloadVisualize
BU of 7jy2 by Molmil
Z-DNA joint X-ray/Neutron
分子名称: Chains: A,B
著者Harp, J.M, Coates, L, Egli, M.
登録日2020-08-28
公開日2021-04-28
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
7LB7
DownloadVisualize
BU of 7lb7 by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase
著者Kovalevsky, A.Y, Kneller, D.W, Coates, L.
登録日2021-01-07
公開日2021-01-20
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography.
J.Med.Chem., 64, 2021
3KMF
DownloadVisualize
BU of 3kmf by Molmil
Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Kovalevsky, A.Y, Morimoto, Y, Chatake, T.
登録日2009-11-10
公開日2010-04-21
最終更新日2023-11-01
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献Direct Determination of Protonation States of Histidine Residues in a 2 A Neutron Structure of Deoxy-Human Normal Adult Hemoglobin and Implications for the Bohr Effect.
J.Mol.Biol., 398, 2010
4PSY
DownloadVisualize
BU of 4psy by Molmil
100K crystal structure of Escherichia coli dihydrofolate reductase
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A.
登録日2014-03-08
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
4RGC
DownloadVisualize
BU of 4rgc by Molmil
277K Crystal structure of Escherichia Coli dihydrofolate reductase
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C.
登録日2014-09-29
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
5T8H
DownloadVisualize
BU of 5t8h by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with amprenavir at pH 6.0
分子名称: Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Kovalevsky, A.Y, Gerlits, O.O.
登録日2016-09-07
公開日2017-03-01
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K.
J. Med. Chem., 60, 2017
5WEY
DownloadVisualize
BU of 5wey by Molmil
Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose
分子名称: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
著者Kovalevsky, A, Gerlits, O.O, Woods, R.J.
登録日2017-07-11
公開日2017-09-13
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography.
Biochemistry, 56, 2017
4FC1
DownloadVisualize
BU of 4fc1 by Molmil
Ultra-high resolution neutron structure of crambin at room-temperature
分子名称: Crambin
著者Kovalevsky, A.Y, Chen, J.C.-H.
登録日2012-05-23
公開日2012-09-19
最終更新日2018-06-06
実験手法NEUTRON DIFFRACTION (1.1 Å)
主引用文献Direct observation of hydrogen atom dynamics and interactions by ultrahigh resolution neutron protein crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
4IAK
DownloadVisualize
BU of 4iak by Molmil
Low temperature X-ray structure of cAMP dependent protein kinase A in complex with high Sr2+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, STRONTIUM ION, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-06
公開日2013-06-12
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IAY
DownloadVisualize
BU of 4iay by Molmil
Room temperature X-ray Structure of cAMP dependent protein kinase A in complex with high Sr2+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-07
公開日2013-06-12
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IAF
DownloadVisualize
BU of 4iaf by Molmil
Room temperature X-ray Structure OF cAMP dependent protein kinase A in complex with high Mg2+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-06
公開日2013-06-12
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013

220113

件を2024-05-22に公開中

PDB statisticsPDBj update infoContact PDBjnumon