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3GG1
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BU of 3gg1 by Molmil
Klebsiella pneumoniae BlrP1 pH 8.0 calcium/cy-diGMP complex
Descriptor: 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, ...
Authors:Barends, T, Hartmann, E, Griese, J, Beitlich, T, Kirienko, N, Ryjenkov, D, Reinstein, J, Shoeman, R, Gomelsky, M, Schlichting, I.
Deposit date:2009-02-27
Release date:2009-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and mechanism of a bacterial light-regulated cyclic nucleotide phosphodiesterase.
Nature, 459, 2009
2R3J
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BU of 2r3j by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
3QP0
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BU of 3qp0 by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor
Descriptor: (4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-02-11
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel inhibitors for HIV-1 protease
To be Published
2QCW
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BU of 2qcw by Molmil
Crystal Structure of Bone Morphogenetic Protein-6 (BMP-6)
Descriptor: Bone morphogenetic protein 6
Authors:Allendorph, G.P.
Deposit date:2007-06-19
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2009-01-27
Release date:2010-02-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: 4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide, CHLORIDE ION, DITHIANE DIOL, ...
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-02-18
Release date:2012-02-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease
To be Published
2QFX
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BU of 2qfx by Molmil
Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with NADPH, a-ketoglutarate and Ca(2+)
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
Authors:Peng, Y.J, Ding, J.P.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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BU of 3qbn by Molmil
Structure of Human Aurora A in Complex with a diaminopyrimidine
Descriptor: 5-chloro-N~4~-cyclopropyl-N~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine, Serine/threonine-protein kinase 6
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2011-01-13
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: Dolichyl-diphosphooligosaccharide-protein glycosyltransferase subunit OST6
Authors:Stirnimann, C.U, Grimshaw, J.P.A, Schulz, B.L, Brozzo, M.S, Fritsch, F, Glockshuber, R, Capitani, G, Gruetter, M.G, Aebi, M.
Deposit date:2009-02-13
Release date:2009-06-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: HYDROLASE, ALPHA/BETA HYDROLASE FOLD FAMILY
Authors:Dawson, A, Fyfe, P.K, Gillet, F, Hunter, W.N.
Deposit date:2010-07-30
Release date:2011-05-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: ABC transporter, ATP-binding protein, MAGNESIUM ION, ...
Authors:Hohl, M, Briand, C, Gruetter, M.G, Seeger, M.A.
Deposit date:2011-01-21
Release date:2012-03-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a heterodimeric ABC transporter in its inward-facing conformation
Nat.Struct.Mol.Biol., 19, 2012
2XF5
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BU of 2xf5 by Molmil
Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone.
Descriptor: GP23.1
Authors:Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C.
Deposit date:2010-05-20
Release date:2010-08-11
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
2XGT
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BU of 2xgt by Molmil
Asparaginyl-tRNA synthetase from Brugia malayi complexed with the sulphamoyl analogue of asparaginyl-adenylate
Descriptor: 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, ASPARAGINYL-TRNA SYNTHETASE, CYTOPLASMIC, ...
Authors:Crepin, T, Haertlein, M, Kron, M, Cusack, S.
Deposit date:2010-06-07
Release date:2010-12-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION, RUBIDIUM ION
Authors:Maehigashi, T, Moulaei, T, Watkins, D, Komeda, S, Williams, L.D.
Deposit date:2009-02-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.87 Å)
Cite: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.
Descriptor: CALCIUM ION, CALCIUM-DEPENDENT CARBOHYDRATE BINDING MODULE
Authors: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.
Deposit date:2010-06-16
Release date:2010-07-21
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: 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, ...
Authors:Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H.
Deposit date:2011-01-26
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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BU of 2xuf by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (1 MTH)
Descriptor: 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, ...
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: (2S)-2-hydroxybutanedioic acid, CALCIUM ION, CARBOHYDRATE BINDING MODULE
Authors: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.
Deposit date:2010-06-16
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: CALCIUM ION, Proteinase K
Authors:Pechkova, E, Tripathi, S.K, Nicolini, C.
Deposit date:2008-06-07
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: CALCIUM ION, Proteinase K
Authors:Pechkova, E, Tripathi, S.K, Nicolini, C.
Deposit date:2008-06-07
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
3QA9
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BU of 3qa9 by Molmil
Crystal Structure of Prb (PH1109 protein redesigned for binding)
Descriptor: CoA binding domain protein
Authors:Spiegel, P.C.
Deposit date:2011-01-10
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
3D9Q
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BU of 3d9q by Molmil
Proteinase K by LB nanotemplate method before high X-Ray dose on ESRF ID23-1 beamline
Descriptor: CALCIUM ION, Proteinase K
Authors:Pechkova, E, Tripathi, S.K, Nicolini, C.
Deposit date:2008-05-27
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
2XGV
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BU of 2xgv by Molmil
Structure of the N-terminal domain of capsid protein from Rabbit Endogenous Lentivirus (RELIK)
Descriptor: PSIV CAPSID N-TERMINAL DOMAIN
Authors:Goldstone, D.C, Robertson, L.E, Haire, L.F, Stoye, J.P, Taylor, I.A.
Deposit date:2010-06-07
Release date:2010-09-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Analysis of Prehistoric Lentiviruses Uncovers an Ancient Molecular Interface.
Cell Host Microbe, 8, 2010
3DE0
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BU of 3de0 by Molmil
Proteinase K by LB nanotemplate method after the second step of high X-Ray dose on ESRF ID23-1 beamline
Descriptor: CALCIUM ION, Proteinase K
Authors:Pechkova, E, Tripathi, S.K, Nicolini, C.
Deposit date:2008-06-07
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
3DE2
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BU of 3de2 by Molmil
Proteinase K by LB nanotemplate method after the fourth step of high X-Ray dose on ESRF ID23-1 beamline
Descriptor: CALCIUM ION, Proteinase K
Authors:Pechkova, E, Tripathi, S.K, Nicolini, C.
Deposit date:2008-06-07
Release date:2009-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009

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