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2LWE
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BU of 2lwe by Molmil
Solution structure of mutant (T170E) second CARD of human RIG-I
Descriptor: Probable ATP-dependent RNA helicase DDX58
Authors:Dutta, K, Ferrage, F, Aggarwal, A.
Deposit date:2012-07-27
Release date:2012-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and Dynamics of the Second CARD of Human RIG-I Provide Mechanistic Insights into Regulation of RIG-I Activation.
Structure, 20, 2012
2MKY
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BU of 2mky by Molmil
Structure of the PrgK first periplasmic domain
Descriptor: Pathogenicity 1 island effector protein
Authors:Bergeron, J, Mcintosh, L, Strynadka, N.
Deposit date:2014-02-14
Release date:2014-10-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Modular Structure of the Inner-Membrane Ring Component PrgK Facilitates Assembly of the Type III Secretion System Basal Body.
Structure, 23, 2015
2C57
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BU of 2c57 by Molmil
H.pylori type II dehydroquinase in complex with FA1
Descriptor: 2,3 -ANHYDRO-QUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
Authors:Robinson, D.A, Lapthorn, A.J.
Deposit date:2005-10-26
Release date:2006-02-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures of Helicobacter Pylori Type II Dehydroquinase Inhibitor Complexes: New Directions for Inhibitor Design.
J.Med.Chem., 49, 2006
8EYW
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BU of 8eyw by Molmil
Beetroot dimer bound to ThT
Descriptor: 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, POTASSIUM ION, RNA (49-MER)
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-10-28
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
8EYU
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BU of 8eyu by Molmil
Structure of Beetroot dimer bound to DFAME
Descriptor: POTASSIUM ION, RNA (49-MER), methyl (2E)-3-{(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}prop-2-enoate
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-10-28
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
2C4W
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BU of 2c4w by Molmil
Type II Dehydroquinase from H. pylori in complex with AH9095
Descriptor: 3-DEHYDROQUINATE DEHYDRATASE, GLYCEROL, IMIDAZOLE, ...
Authors:Robinson, D.A, Lapthorn, A.J.
Deposit date:2005-10-24
Release date:2006-02-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structures of Helicobacter Pylori Type II Dehydroquinase Inhibitor Complexes: New Directions for Inhibitor Design.
J.Med.Chem., 49, 2006
8EYV
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BU of 8eyv by Molmil
Structure of Beetroot dimer bound to DFHO
Descriptor: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, POTASSIUM ION, RNA (45-MER)
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-10-28
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
8F0N
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BU of 8f0n by Molmil
Wobble Beetroot (A16U-U38G) dimer bound to DFHO
Descriptor: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, POTASSIUM ION, RNA (49-MER)
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-11-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
2MG6
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BU of 2mg6 by Molmil
Non-reducible analogues of alpha-conotoxin Vc1.1: [3,16]-trans dicarba Vc1.1
Descriptor: Alpha-conotoxin Vc1A
Authors:Robinson, S.D, Macraild, C.A, Van Lierop, B.J, Robinson, A.J, Norton, R.S.
Deposit date:2013-10-28
Release date:2013-12-18
Method:SOLUTION NMR
Cite:Dicarba alpha-conotoxin Vc1.1 analogues with differential selectivity for nicotinic acetylcholine and GABAB receptors.
Acs Chem.Biol., 8, 2013
2M2J
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BU of 2m2j by Molmil
Solution NMR structure of the N-terminal domain of STM1478 from Salmonella typhimurium LT2: Target STR147A of the Northeast Structural Genomics consortium (NESG), and APC101565 of the Midwest Center for Structural Genomics (MCSG).
Descriptor: Putative periplasmic protein
Authors:Houliston, S, Yee, A, Lemak, A, Garcia, M, Wu, B, Savchenko, A, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-12-21
Release date:2013-05-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
2MFY
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BU of 2mfy by Molmil
Non-reducible analogues of alpha-conotoxin Vc1.1: [2,8]-trans dicarba Vc1.1
Descriptor: Alpha-conotoxin Vc1A
Authors:Robinson, S.D, Macraild, C.A, Van Lierop, B.J, Robinson, A.J, Norton, R.S.
Deposit date:2013-10-24
Release date:2013-12-18
Method:SOLUTION NMR
Cite:Dicarba alpha-conotoxin Vc1.1 analogues with differential selectivity for nicotinic acetylcholine and GABAB receptors.
Acs Chem.Biol., 8, 2013
8F7T
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BU of 8f7t by Molmil
Glycan-Base ConC Env Trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env gp120, ...
Authors:Olia, A.S, Kwong, P.D.
Deposit date:2022-11-20
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Soluble prefusion-closed HIV-envelope trimers with glycan-covered bases.
Iscience, 26, 2023
3NQS
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BU of 3nqs by Molmil
Crystal Structure of Inducible Nitric Oxide Synthase with N-Nitrosated-pterin
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, ...
Authors:Rosenfeld, R.J, Getzoff, E.D, Tainer, J.A.
Deposit date:2010-06-29
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nitric-oxide synthase forms N-NO-pterin and S-NO-cys: implications for activity, allostery, and regulation.
J.Biol.Chem., 285, 2010
3ESX
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BU of 3esx by Molmil
E16KE61KD126KD150K Flavodoxin from Anabaena
Descriptor: CALCIUM ION, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Herguedas, B, Hermoso, J.A, Martinez-Julvez, M, Goni, G, Medina, M.
Deposit date:2008-10-06
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
2M1T
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BU of 2m1t by Molmil
SP-B C-terminal (residues 59-80) peptide in DPC micelles
Descriptor: Pulmonary surfactant-associated protein B
Authors:Kuznetsova, A, Vanni, J, Long, J.
Deposit date:2012-12-06
Release date:2013-12-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structures of the C-terminal segment of surfactant protein B (residues 59-80) in DPC detergent micelles and methanol.
To be Published
3O50
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BU of 3o50 by Molmil
Crystal structure of benzamide 9 bound to AuroraA
Descriptor: N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
Authors:Huang, X.
Deposit date:2010-07-27
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
3EQL
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BU of 3eql by Molmil
Crystal structure of the T. Thermophilus RNA polymerase holoenzyme in complex with antibiotic myxopyronin
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Vassylyev, D.G, Vassylyeva, M.N, Artsimovitch, I.
Deposit date:2008-09-30
Release date:2008-10-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Transcription inactivation through local refolding of the RNA polymerase structure.
Nature, 457, 2009
2MNI
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BU of 2mni by Molmil
Chemical Shift Assignments and structure of Q4D059, a hypothetical protein from Trypanosoma cruzi
Descriptor: HP_Q4D059
Authors:Lopez, A, Pires, J.
Deposit date:2014-04-07
Release date:2015-03-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure and dynamics of Q4D059, a kinetoplastid-specific and conserved protein from Trypanosoma cruzi.
J.Struct.Biol., 190, 2015
3ET7
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BU of 3et7 by Molmil
Crystal structure of PYK2 complexed with PF-2318841
Descriptor: 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2H-indol-2-one, PHOSPHATE ION, Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2008-10-07
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): structure-activity relationships and strategies for the elimination of reactive metabolite formation.
Bioorg.Med.Chem.Lett., 18, 2008
2MFX
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BU of 2mfx by Molmil
Non-reducible analogues of alpha-conotoxin Vc1.1: [2,8]-cis dicarba Vc1.1
Descriptor: Alpha-conotoxin Vc1A
Authors:Robinson, S.D, Macraild, C.A, Van Lierop, B.J, Robinson, A.J, Norton, R.S.
Deposit date:2013-10-24
Release date:2013-12-18
Method:SOLUTION NMR
Cite:Dicarba alpha-conotoxin Vc1.1 analogues with differential selectivity for nicotinic acetylcholine and GABAB receptors.
Acs Chem.Biol., 8, 2013
8EVM
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BU of 8evm by Molmil
De novo design of chlorophyll special pair containing protein assemblies
Descriptor: Chlorophyll dimer protein designs, Special Pair 3 (SP3x)
Authors:Bera, A.K, Ennist, N.M.
Deposit date:2022-10-20
Release date:2024-05-15
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 20, 2024
3FF5
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BU of 3ff5 by Molmil
Crystal structure of the conserved N-terminal domain of the peroxisomal matrix-protein-import receptor, Pex14p
Descriptor: Peroxisomal biogenesis factor 14, decyl 2-trimethylazaniumylethyl phosphate
Authors:Su, J.-R, Takeda, K, Tamura, S, Fujiki, Y, Miki, K.
Deposit date:2008-12-01
Release date:2008-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the conserved N-terminal domain of the peroxisomal matrix protein import receptor, Pex14p
Proc.Natl.Acad.Sci.USA, 106, 2009
3NUY
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BU of 3nuy by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment17
Descriptor: GLYCEROL, PkB-like, SULFATE ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3O0T
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BU of 3o0t by Molmil
Crystal structure of human phosphoglycerate mutase family member 5 (PGAM5) in complex with phosphate
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Serine/threonine-protein phosphatase PGAM5, ...
Authors:Chaikuad, A, Alfano, I, Picaud, S, Filippakopoulos, P, Barr, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Takeda, K, Ichijo, H, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-07-20
Release date:2010-10-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly.
Structure, 25, 2017
2C00
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BU of 2c00 by Molmil
Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa in apo form
Descriptor: BIOTIN CARBOXYLASE, SULFATE ION
Authors:Mochalkin, I.
Deposit date:2008-03-21
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008

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