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3GG1
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Klebsiella pneumoniae BlrP1 pH 8.0 calcium/cy-diGMP complex
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
著者Barends, T, Hartmann, E, Griese, J, Beitlich, T, Kirienko, N, Ryjenkov, D, Reinstein, J, Shoeman, R, Gomelsky, M, Schlichting, I.
登録日2009-02-27
公開日2009-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanism of a bacterial light-regulated cyclic nucleotide phosphodiesterase.
Nature, 459, 2009
2R3J
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Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
3QP0
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HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor
分子名称: (4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease
著者Lindemann, I, Heine, A, Klebe, G.
登録日2011-02-11
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel inhibitors for HIV-1 protease
To be Published
2QCW
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Crystal Structure of Bone Morphogenetic Protein-6 (BMP-6)
分子名称: Bone morphogenetic protein 6
著者Allendorph, G.P.
登録日2007-06-19
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献BMP-3 and BMP-6 Structures Illuminate the Nature of Binding Specificity with Receptors.
Biochemistry, 46, 2007
3G0B
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BU of 3g0b by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with TAK-322
分子名称: 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile, 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Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L.
登録日2009-01-27
公開日2010-02-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
3QRM
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BU of 3qrm by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor
分子名称: 4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide, CHLORIDE ION, DITHIANE DIOL, ...
著者Lindemann, I, Heine, A, Klebe, G.
登録日2011-02-18
公開日2012-02-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.731 Å)
主引用文献Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease
To be Published
2QFX
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Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with NADPH, a-ketoglutarate and Ca(2+)
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
著者Peng, Y.J, Ding, J.P.
登録日2007-06-28
公開日2008-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Protein Sci., 17, 2008
3QBN
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Structure of Human Aurora A in Complex with a diaminopyrimidine
分子名称: 5-chloro-N~4~-cyclopropyl-N~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine, Serine/threonine-protein kinase 6
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2011-01-13
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Identification of Ustilago maydis Aurora kinase as a novel antifungal target.
Acs Chem.Biol., 6, 2011
3G9B
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BU of 3g9b by Molmil
Crystal structure of reduced Ost6L
分子名称: Dolichyl-diphosphooligosaccharide-protein glycosyltransferase subunit OST6
著者Stirnimann, C.U, Grimshaw, J.P.A, Schulz, B.L, Brozzo, M.S, Fritsch, F, Glockshuber, R, Capitani, G, Gruetter, M.G, Aebi, M.
登録日2009-02-13
公開日2009-06-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Oxidoreductase activity of oligosaccharyltransferase subunits Ost3p and Ost6p defines site-specific glycosylation efficiency.
Proc.Natl.Acad.Sci.USA, 106, 2009
2XMZ
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BU of 2xmz by Molmil
Structure of MenH from S. aureus
分子名称: HYDROLASE, ALPHA/BETA HYDROLASE FOLD FAMILY
著者Dawson, A, Fyfe, P.K, Gillet, F, Hunter, W.N.
登録日2010-07-30
公開日2011-05-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Exploiting the High-Resolution Crystal Structure of Staphylococcus Aureus Menh to Gain Insight Into Enzyme Activity.
Bmc Struct.Biol., 11, 2011
3QF4
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BU of 3qf4 by Molmil
Crystal structure of a heterodimeric ABC transporter in its inward-facing conformation
分子名称: ABC transporter, ATP-binding protein, MAGNESIUM ION, ...
著者Hohl, M, Briand, C, Gruetter, M.G, Seeger, M.A.
登録日2011-01-21
公開日2012-03-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of a heterodimeric ABC transporter in its inward-facing conformation
Nat.Struct.Mol.Biol., 19, 2012
2XF5
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Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone.
分子名称: GP23.1
著者Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C.
登録日2010-05-20
公開日2010-08-11
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
2XGT
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Asparaginyl-tRNA synthetase from Brugia malayi complexed with the sulphamoyl analogue of asparaginyl-adenylate
分子名称: 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, ASPARAGINYL-TRNA SYNTHETASE, CYTOPLASMIC, ...
著者Crepin, T, Haertlein, M, Kron, M, Cusack, S.
登録日2010-06-07
公開日2010-12-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Hybrid Structural Model of the Complete Brugia Malayi Cytoplasmic Asparaginyl-tRNA Synthetase.
J.Mol.Biol., 405, 2011
3GGK
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BU of 3ggk by Molmil
Locating monovalent cations in one turn of G/C rich B-DNA
分子名称: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION, RUBIDIUM ION
著者Maehigashi, T, Moulaei, T, Watkins, D, Komeda, S, Williams, L.D.
登録日2009-02-28
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.87 Å)
主引用文献Locating monovalent cations in one turn of G/C rich B-DNA
To be Published
2XHJ
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BU of 2xhj by Molmil
Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules. SeMet form of vCBM60.
分子名称: CALCIUM ION, CALCIUM-DEPENDENT CARBOHYDRATE BINDING MODULE
著者Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J.
登録日2010-06-16
公開日2010-07-21
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules
J.Biol.Chem., 285, 2010
3QI3
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BU of 3qi3 by Molmil
Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691
分子名称: 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H.
登録日2011-01-26
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine.
Plos One, 6, 2011
2XUF
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CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (1 MTH)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
著者Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
登録日2010-10-19
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XHH
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Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules
分子名称: (2S)-2-hydroxybutanedioic acid, CALCIUM ION, CARBOHYDRATE BINDING MODULE
著者Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J.
登録日2010-06-16
公開日2010-07-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules
J.Biol.Chem., 285, 2010
3DE1
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BU of 3de1 by Molmil
Proteinase K by LB nanotemplate method after the third step of high X-Ray dose on ESRF ID23-1 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-06-07
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
3DDZ
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BU of 3ddz by Molmil
Proteinase K by LB nanotemplate method after the first step of high X-Ray dose on ESRF ID23-1 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-06-07
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
3QA9
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Crystal Structure of Prb (PH1109 protein redesigned for binding)
分子名称: CoA binding domain protein
著者Spiegel, P.C.
登録日2011-01-10
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
3D9Q
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Proteinase K by LB nanotemplate method before high X-Ray dose on ESRF ID23-1 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-05-27
公開日2009-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
2XGV
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Structure of the N-terminal domain of capsid protein from Rabbit Endogenous Lentivirus (RELIK)
分子名称: PSIV CAPSID N-TERMINAL DOMAIN
著者Goldstone, D.C, Robertson, L.E, Haire, L.F, Stoye, J.P, Taylor, I.A.
登録日2010-06-07
公開日2010-09-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Analysis of Prehistoric Lentiviruses Uncovers an Ancient Molecular Interface.
Cell Host Microbe, 8, 2010
3DE0
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Proteinase K by LB nanotemplate method after the second step of high X-Ray dose on ESRF ID23-1 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-06-07
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
3DE2
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Proteinase K by LB nanotemplate method after the fourth step of high X-Ray dose on ESRF ID23-1 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-06-07
公開日2009-06-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009

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