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2WEY
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BU of 2wey by Molmil
Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ...
Authors:Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J.
Deposit date:2009-04-02
Release date:2009-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure.
Acta Crystallogr.,Sect.D, 65, 2009
2ISL
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BU of 2isl by Molmil
BluB bound to reduced flavin (FMNH2) and molecular oxygen. (clear crystal form)
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, BluB, OXYGEN MOLECULE
Authors:Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C.
Deposit date:2006-10-17
Release date:2007-03-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
2IUF
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BU of 2iuf by Molmil
The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Murshudov, G, Borovik, A, Grebenko, A, Barynin, V, Vagin, A, Melik-Adamyan, W.
Deposit date:2006-06-02
Release date:2006-07-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter Pylori and Penicillium Vitale Catalases Determined by X-Ray Crystallography and Qm/Mm Density Functional Theory Calculations.
J.Am.Chem.Soc., 129, 2007
2VU4
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BU of 2vu4 by Molmil
Structure of PsbP protein from Spinacia oleracea at 1.98 A resolution
Descriptor: OXYGEN-EVOLVING ENHANCER PROTEIN 2, ZINC ION
Authors:Lapkouski, M, Ristvejova, R, Arellano, J.B, Revuelta, J.L, Kuta Smatanova, I, Ettrich, R.
Deposit date:2008-05-21
Release date:2009-07-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Raman Spectroscopy Adds Complementary Detail to the High-Resolution X-Ray Crystal Structure of Photosynthetic Psbp from Spinacia Oleracea.
Plos One, 7, 2012
2ISK
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BU of 2isk by Molmil
BluB bound to flavin anion (charge transfer complex)
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, BluB
Authors:Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C.
Deposit date:2006-10-17
Release date:2007-03-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
2IGC
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BU of 2igc by Molmil
Structure of Spin labeled T4 Lysozyme Mutant T115R1A
Descriptor: Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L.
Deposit date:2006-09-22
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
2IS4
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BU of 2is4 by Molmil
Crystal structure of UvrD-DNA-ADPNP ternary complex
Descriptor: 25-MER, DNA helicase II, MAGNESIUM ION, ...
Authors:Yang, W, Lee, J.Y.
Deposit date:2006-10-16
Release date:2007-01-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:UvrD helicase unwinds DNA one base pair at a time by a two-part power stroke.
Cell(Cambridge,Mass.), 127, 2006
4FJ1
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BU of 4fj1 by Molmil
Crystal Structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and genistein
Descriptor: 17beta-hydroxysteroid dehydrogenase, DIMETHYL SULFOXIDE, GENISTEIN, ...
Authors:Cassetta, A, Lamba, D, Krastanova, I.
Deposit date:2012-06-11
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl.
J. Steroid Biochem. Mol. Biol., 171, 2017
6AS7
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BU of 6as7 by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC CORE OF HUMAN DNA POLYMERASE ALPHA IN TERNARY COMPLEX WITH AN DNA-PRIMED DNA TEMPLATE AND DCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, COBALT (II) ION, DNA (5'-D(*AP*GP*GP*CP*GP*CP*TP*CP*CP*AP*GP*GP*C)-3'), ...
Authors:Tahirov, T.H, Baranovskiy, A.G, Babayeva, N.D.
Deposit date:2017-08-23
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Activity and fidelity of human DNA polymerase alpha depend on primer structure.
J. Biol. Chem., 293, 2018
2RDI
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BU of 2rdi by Molmil
Snapshots of a Y-family DNA polymerase in replication: Dpo4 in apo and binary/ternary complex forms
Descriptor: DI(HYDROXYETHYL)ETHER, DNA polymerase IV, GLYCEROL
Authors:Wong, J.H.Y, Ling, H.
Deposit date:2007-09-24
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Snapshots of a Y-family DNA polymerase in replication: substrate-induced conformational transitions and implications for fidelity of Dpo4.
J.Mol.Biol., 379, 2008
8B6L
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BU of 8b6l by Molmil
Subtomogram average of the human Sec61-TRAP-OSTA-translocon
Descriptor: Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDa subunit, Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1, Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 2, ...
Authors:Gemmer, M, Fedry, J.M.M, Forster, F.G.
Deposit date:2022-09-27
Release date:2022-12-07
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Visualization of translation and protein biogenesis at the ER membrane.
Nature, 614, 2023
6LKE
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BU of 6lke by Molmil
in meso full-length rat KMO in complex with an inhibitor identified via DNA-encoded chemical library screening
Descriptor: 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mimasu, S, Yamagishi, H, Kiyohara, M, Hupp, D.C, Liu, J, Kakefuda, K, Okuda, T.
Deposit date:2019-12-19
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Full-length in meso structure and mechanism of rat kynurenine 3-monooxygenase inhibition.
Commun Biol, 4, 2021
6WF3
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BU of 6wf3 by Molmil
Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1)
Descriptor: ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
3QAZ
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BU of 3qaz by Molmil
IL-2 mutant D10 ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, Interleukin-2, ...
Authors:Levin, A.M, Bates, D.L, Ring, A.M, Lin, J.T, Su, L, Krieg, C, Bowman, G.R, Novick, P, Pande, V.S, Khort, H.E, Boyman, O, Gathman, C.G, Garcia, K.C.
Deposit date:2011-01-12
Release date:2012-04-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.802 Å)
Cite:Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'
Nature, 484, 2012
5YVG
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BU of 5yvg by Molmil
Crystal structure of Karyopherin beta2 in complex with FUS(full length)
Descriptor: RNA-binding protein FUS, Transportin-1
Authors:Yoshizawa, T, Fung, H.Y.J, Chook, Y.M.
Deposit date:2017-11-25
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.05 Å)
Cite:Nuclear Import Receptor Inhibits Phase Separation of FUS through Binding to Multiple Sites.
Cell, 173, 2018
2RDJ
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BU of 2rdj by Molmil
Snapshots of a Y-family DNA polymerase in replication: Dpo4 in apo and binary/ternary complex forms
Descriptor: CALCIUM ION, DNA (5'-D(*DGP*DGP*DGP*DAP*DCP*DCP*DCP*DTP*DTP*DCP*DGP*DAP*DAP*DT)-3'), DNA (5'-D(P*DTP*DAP*DTP*DTP*DCP*DGP*DAP*DAP*DGP*DGP*DGP*DTP*DCP*DCP*DC)-3'), ...
Authors:Wong, J.H.Y, Ling, H.
Deposit date:2007-09-24
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Snapshots of a Y-family DNA polymerase in replication: substrate-induced conformational transitions and implications for fidelity of Dpo4.
J.Mol.Biol., 379, 2008
4HFN
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BU of 4hfn by Molmil
X-ray Crystal Structure of a Ternary Complex of Double Bond Reductase from Nicotiana tabacum
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, Allyl alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2012-10-05
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biocatalytic Asymmetric Alkene Reduction: Crystal Structure and Characterization of a Double Bond Reductase fromNicotiana tabacum.
ACS Catal, 3, 2013
4EN4
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BU of 4en4 by Molmil
Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Safo, M.K, Musayev, F.N, Gandhi, A.K.
Deposit date:2012-04-12
Release date:2012-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition.
Plos One, 7, 2012
4G5Y
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BU of 4g5y by Molmil
Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in a ternary complex with ATP and N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Silvestre, H.L, Blundell, T.L, Abell, C.
Deposit date:2012-07-18
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
6YGA
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BU of 6yga by Molmil
Crystal structure of the apo NatC complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Grunwald, S, Hopf, L, Bock-Bierbaum, T, Lally, C.C, Spahn, C.M.T, Daumke, O.
Deposit date:2020-03-27
Release date:2020-10-28
Last modified:2020-11-18
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates.
Nat Commun, 11, 2020
2Q4C
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BU of 2q4c by Molmil
Ensemble refinement of the protein crystal structure of annexin from Arabidopsis thaliana gene At1g35720
Descriptor: Annexin D1
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
1MFQ
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BU of 1mfq by Molmil
Crystal Structure Analysis of a Ternary S-Domain Complex of Human Signal Recognition Particle
Descriptor: 7S RNA of human SRP, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Kuglstatter, A, Oubridge, C, Nagai, K.
Deposit date:2002-08-13
Release date:2002-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Induced structural changes of 7SL RNA during the assembly of human signal recognition particle
Nat.Struct.Biol., 9, 2002
4U4I
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BU of 4u4i by Molmil
Megavirus chilensis superoxide dismutase
Descriptor: Cu/Zn superoxide dismutase
Authors:Lartigue, A, Claverie, J.-M, Burlat, B, Coutard, B, Abergel, C.
Deposit date:2014-07-23
Release date:2014-11-05
Last modified:2014-12-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The megavirus chilensis cu,zn-superoxide dismutase: the first viral structure of a typical cellular copper chaperone-independent hyperstable dimeric enzyme.
J.Virol., 89, 2015
5YVH
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BU of 5yvh by Molmil
Crystal structure of Karyopherin beta2 in complex with FUS(371-526)
Descriptor: RNA-binding protein FUS, Transportin-1
Authors:Yoshizawa, T, Fung, H.Y.J, Chook, Y.M.
Deposit date:2017-11-25
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Nuclear Import Receptor Inhibits Phase Separation of FUS through Binding to Multiple Sites.
Cell, 173, 2018
5ABY
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BU of 5aby by Molmil
Complex of C. elegans eIF4E-3 with the 4E-binding protein Mextli
Descriptor: 4E-BINDING PROTEIN MEXTLI, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-3, GLYCEROL, ...
Authors:Peter, D, Weichenrieder, O.
Deposit date:2015-08-09
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mextli Proteins Use Both Canonical Bipartite and Novel Tripartite Binding Modes to Form Eif4E Complexes that Display Differential Sensitivity to 4E-BP Regulation
Genes Dev., 29, 2015

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