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4WNT
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Human Cytochrome P450 2D6 Ajmalicine Complex
分子名称: Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2014-10-14
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4WNW
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BU of 4wnw by Molmil
Human Cytochrome P450 2D6 Thioridazine Complex
分子名称: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, NICKEL (II) ION, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2014-10-14
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.299 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4WNV
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BU of 4wnv by Molmil
Human Cytochrome P450 2D6 Quinine Complex
分子名称: Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2014-10-14
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4WNU
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Human Cytochrome P450 2D6 Quinidine Complex
分子名称: Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2014-10-14
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
3PM0
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Structural Characterization of the Complex between Alpha-Naphthoflavone and Human Cytochrome P450 1B1 (CYP1B1)
分子名称: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2010-11-15
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Characterization of the Complex between {alpha}-Naphthoflavone and Human Cytochrome P450 1B1.
J.Biol.Chem., 286, 2011
3QM4
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Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex
分子名称: Cytochrome P450 2D6, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2011-02-03
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound.
J.Biol.Chem., 287, 2012
3TDA
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BU of 3tda by Molmil
Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6
分子名称: Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2011-08-10
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
3TBG
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BU of 3tbg by Molmil
Human cytochrome P450 2D6 with two thioridazines bound in active site
分子名称: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2011-08-05
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
7FD2
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BU of 7fd2 by Molmil
Cryo-EM structure of an alphavirus, Getah virus
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Liu, Z, Liu, C, Wang, A.
登録日2021-07-15
公開日2022-08-10
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structure of infective Getah virus at 2.8 angstrom resolution determined by cryo-electron microscopy.
Cell Discov, 8, 2022
6B1G
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BU of 6b1g by Molmil
Solution structure of TDP-43 N-terminal domain dimer.
分子名称: TAR DNA-binding protein 43, S48E Mutant, Y4R Mutant
著者Naik, M.T, Wang, A, Conicella, A, Fawzi, N.L.
登録日2017-09-18
公開日2018-02-28
最終更新日2020-01-01
実験手法SOLUTION NMR
主引用文献A single N-terminal phosphomimic disrupts TDP-43 polymerization, phase separation, and RNA splicing.
EMBO J., 37, 2018
1YQ4
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BU of 1yq4 by Molmil
Avian respiratory complex ii with 3-nitropropionate and ubiquinone
分子名称: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 3-NITROPROPANOIC ACID, Coenzyme Q10, ...
著者Huang, L, Sun, G, Cobessi, D, Wang, A, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A.
登録日2005-02-01
公開日2005-12-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme
J.Biol.Chem., 281, 2006
5L2U
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BU of 5l2u by Molmil
Oligomer crystal structure of CC chemokine 5 (CCL5)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C-C motif chemokine 5, CHLORIDE ION, ...
著者Liang, W, Wang, A, Tang, W.-J.
登録日2016-08-02
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献High resolution oligomer crystal structure of CC chemokine 5 (CCL5)
To Be Published
1ZP0
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BU of 1zp0 by Molmil
Crystal Structure of Mitochondrial Respiratory Complex II bound with 3-nitropropionate and 2-thenoyltrifluoroacetone
分子名称: 3-NITROPROPANOIC ACID, 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE, FAD-binding protein, ...
著者Sun, F, Huo, X, Zhai, Y, Wang, A, Xu, J, Su, D, Bartlam, M, Rao, Z.
登録日2005-05-16
公開日2005-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal Structure of Mitochondrial Respiratory Membrane Protein Complex II
Cell(Cambridge,Mass.), 121, 2005
1ZOY
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BU of 1zoy by Molmil
Crystal Structure of Mitochondrial Respiratory Complex II from porcine heart at 2.4 Angstroms
分子名称: FAD-binding protein, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Sun, F, Huo, X, Zhai, Y, Wang, A, Xu, J, Su, D, Bartlam, M, Rao, Z.
登録日2005-05-15
公開日2005-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Mitochondrial Respiratory Membrane Protein Complex II
Cell(Cambridge,Mass.), 121, 2005
8H2I
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BU of 8h2i by Molmil
Near-atomic structure of five-fold averaged PBCV-1 capsid
分子名称: MCPv1, MCPv2, MCPv3, ...
著者Shao, Q, Agarkova, I.V, Noel, E.A, Dunigan, D.D, Liu, Y, Wang, A, Guo, M, Xie, L, Zhao, X, Rossmann, M.G, Van Etten, J.L, Klose, T, Fang, Q.
登録日2022-10-06
公開日2022-11-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Near-atomic, non-icosahedrally averaged structure of giant virus Paramecium bursaria chlorella virus 1.
Nat Commun, 13, 2022
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Yan, X.E, Yun, C.H.
登録日2016-07-21
公開日2017-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
5YU9
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Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
3CRZ
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BU of 3crz by Molmil
Ferredoxin-NADP Reductase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP+ reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Han, H, Schonbrunn, E.
登録日2008-04-08
公開日2008-10-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystallographic and solution state nuclear magnetic resonance spectroscopic investigations of NADP+ binding to ferredoxin NADP reductase from Pseudomonas aeruginosa
Biochemistry, 47, 2008
2QDX
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P.Aeruginosa Fpr with FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase, SULFATE ION
著者Han, H, Schonbrunn, E.
登録日2007-06-21
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Biochemical and Structural Characterization of Pseudomonas aeruginosa Bfd and FPR: Ferredoxin NADP(+) Reductase and Not Ferredoxin Is the Redox Partner of Heme Oxygenase under Iron-Starvation Conditions
Biochemistry, 46, 2007
4WD5
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Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
著者Yun, C.H, Eck, M.J.
登録日2014-09-07
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
7T79
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CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
分子名称: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
6MYT
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Avian mitochondrial complex II with Atpenin A5 bound, sidechain in pocket
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE, DI(HYDROXYETHYL)ETHER, ...
著者Berry, E.A, Huang, L.-S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6MYU
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Avian mitochondrial complex II crystallized in the presence of HQNO
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Berry, E.A, Huang, L.-S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6MYO
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Avian mitochondrial complex II with flutolanyl bound
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Berry, E.A, Huang, L.-S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021

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