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1W76
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Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) complexed with bis-acting galanthamine derivative
分子名称: (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
著者Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L.
登録日2004-08-30
公開日2004-11-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
1W6R
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Complex of TcAChE with galanthamine derivative
分子名称: (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
著者Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L.
登録日2004-08-23
公開日2004-11-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
1W4L
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Complex of TcAChE with bis-acting galanthamine derivative
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
著者Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L.
登録日2004-07-25
公開日2004-11-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
4V5W
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Grapevine Fanleaf virus
分子名称: COAT PROTEIN
著者Schellenberger, P, Demangeat, G, Ritzenthaler, C, Lorber, B, Sauter, C.
登録日2011-05-10
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Exploiting Protein Engineering and Crystal Polymorphism for Successful X-Ray Structure Determination
Cryst.Growth Des., 11, 2011
4V5T
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X-ray structure of the Grapevine Fanleaf virus
分子名称: COAT PROTEIN
著者Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C.
登録日2011-02-01
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
2Y26
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Transmission defective mutant of Grapevine Fanleaf virus
分子名称: COAT PROTEIN
著者Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C.
登録日2010-12-13
公開日2011-06-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
3V0U
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Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
分子名称: Perakine reductase
著者Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
登録日2011-12-08
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
3V0S
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Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine reductase
著者Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
登録日2011-12-08
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.773 Å)
主引用文献Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
3UYI
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Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
分子名称: Perakine reductase
著者Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
登録日2011-12-06
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
3V0T
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Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine Reductase
著者Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J.
登録日2011-12-08
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.333 Å)
主引用文献Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
6ZFU
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BU of 6zfu by Molmil
Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor RKA066
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V.
登録日2020-06-17
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
6ZFT
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Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor CK-2-68
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V.
登録日2020-06-17
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
6ZFS
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BU of 6zfs by Molmil
Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor WDH-1U-4
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V.
登録日2020-06-17
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
5FOJ
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BU of 5foj by Molmil
Cryo electron microscopy structure of Grapevine Fanleaf Virus complex with Nanobody
分子名称: Nanobody, RNA2 polyprotein
著者Orlov, I, Hemmer, C, Ackerer, L, Lorber, B, Ghannam, A, Poignavent, V, Hleibieh, K, Sauter, C, Schmitt-Keichinger, C, Belval, L, Hily, J.M, Marmonier, A, Komar, V, Gersch, S, Schellenberger, P, Bron, P, Vigne, E, Muyldermans, S, Lemaire, O, Demangeat, G, Ritzenthaler, C, Klaholz, B.P.
登録日2015-11-22
公開日2016-01-20
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of nanobody recognition of grapevine fanleaf virus and of virus resistance loss.
Proc.Natl.Acad.Sci.USA, 2020
5MRD
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BU of 5mrd by Molmil
Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M.
登録日2016-12-22
公開日2017-01-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
ACS Chem. Biol., 12, 2017
2LCQ
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BU of 2lcq by Molmil
Solution structure of the endonuclease Nob1 from P.horikoshii
分子名称: Putative toxin VapC6, ZINC ION
著者Veith, T, Martin, R, Wurm, J.P, Weis, B, Duchardt-Ferner, E, Safferthal, C, Hennig, R, Mirus, O, Bohnsack, M.T, Woehnert, J, Schleiff, E.
登録日2011-05-05
公開日2011-12-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural and functional analysis of the archaeal endonuclease Nob1.
Nucleic Acids Res., 40, 2012
3I6Z
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3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ...
著者Lamba, D, Bartolucci, C.
登録日2009-07-07
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
1QTI
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Acetylcholinesterase (E.C.3.1.1.7)
分子名称: (-)-GALANTHAMINE, ACETYLCHOLINESTERASE
著者Bartolucci, C, Perola, E, Pilger, C, Fels, G, Lamba, D.
登録日1999-06-28
公開日1999-12-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structure of a complex of galanthamine (Nivalin) with acetylcholinesterase from Torpedo californica: implications for the design of new anti-Alzheimer drugs
Proteins, 42, 2001
3I6M
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3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine
分子名称: (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 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Lamba, D, Bartolucci, C.
登録日2009-07-07
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
1W75
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Native Orthorhombic form of Torpedo californica acetylcholinesterase (AChE)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
著者Greenblatt, H.M, Botti, S, Argaman, A, Silman, I, Sussman, J.L.
登録日2004-08-29
公開日2004-11-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
1ZGC
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Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor.
分子名称: (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
登録日2005-04-21
公開日2005-08-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
1CXR
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BU of 1cxr by Molmil
AUTOMATED 2D NOESY ASSIGNMENT AND STRUCTURE CALCULATION OF CRAMBIN(S22/I25) WITH SELF-CORRECTING DISTANCE GEOMETRY BASED NOAH/DIAMOD PROGRAMS
分子名称: CRAMBIN
著者Xu, Y, Wu, J, Gorenstein, D, Braun, W.
登録日1999-08-30
公開日1999-09-07
最終更新日2018-03-14
実験手法SOLUTION NMR
主引用文献Automated 2D NOESY assignment and structure calculation of Crambin(S22/I25) with the self-correcting distance geometry based NOAH/DIAMOD programs.
J.Magn.Reson., 136, 1999
1F2N
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BU of 1f2n by Molmil
RICE YELLOW MOTTLE VIRUS
分子名称: CALCIUM ION, CAPSID PROTEIN
著者Qu, C, Liljas, L, Opalka, N, Brugidou, C, Yeager, M, Beachy, R.N, Fauquet, C.M, Johnson, J.E, Lin, T.
登録日2000-05-26
公開日2000-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献3D domain swapping modulates the stability of members of an icosahedral virus group.
Structure Fold.Des., 8, 2000
2YHT
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BU of 2yht by Molmil
Crystal structure of Hfq riboregulator from E. coli (P1 space group)
分子名称: PROTEIN HFQ
著者Basquin, J, Sauter, C.
登録日2011-05-06
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Exploiting Protein Engineering and Crystal Polymorphism for Successful X-Ray Structure Determination
Cryst.Growth Des., 11, 2011
8QQB
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Crystal structure of protein kinase CK2 catalytic subunit in complex with a Dibromo Dihydro Dibenzofuranone derivative
分子名称: (4~{Z})-7,9-bis(bromanyl)-8-oxidanyl-4-(phenylazanylmethylidene)-1,2-dihydrodibenzofuran-3-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Werner, C, Niefind, K, Jose, J.
登録日2023-10-04
公開日2024-10-16
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Discovery of 7,9-Dibromo Dihydrodibenzofuran as Potent and Highly Selective CK2 inhibitor: Synthesis, Biological Evaluation and Structural Studies on E-/Z isomers
To be published

 

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