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8UJA
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BU of 8uja by Molmil
T33-fn10 - Designed Tetrahedral Protein Cage Using Fragment-based Hydrogen Bond Networks
Descriptor: T33-fn10: engineered DrsE like sulfur reductase, T33-fn10: engineered enoyl-CoA hydratase/isomerase
Authors:Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-11
Release date:2024-03-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (6 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
7JL0
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BU of 7jl0 by Molmil
Cryo-EM structure of MDA5-dsRNA in complex with TRIM65 PSpry domain (Monomer)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, MAGNESIUM ION, ...
Authors:Kato, K, Ahmad, S, Hur, S.
Deposit date:2020-07-29
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
1SLW
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BU of 1slw by Molmil
RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN; NICKEL-BOUND
Descriptor: ACETATE ION, ANIONIC TRYPSIN, CALCIUM ION, ...
Authors:Brinen, L.S, Fletterick, R.J.
Deposit date:1996-02-07
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structures of a designed binding site in trypsin show metal-dependent geometry.
Biochemistry, 35, 1996
3CSH
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BU of 3csh by Molmil
Crystal Structure of Glutathione Transferase Pi in complex with the Chlorambucil-Glutathione Conjugate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
1Q55
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BU of 1q55 by Molmil
W-shaped trans interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, W, Cowin, P, Stokes, D.L.
Deposit date:2003-08-06
Release date:2003-10-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (30 Å)
Cite:Untangling Desmosomal Knots with Electron Tomography
Science, 302, 2003
2OOL
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BU of 2ool by Molmil
Crystal structure of the chromophore-binding domain of an unusual bacteriophytochrome RpBphP3 from R. palustris
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Sensor protein
Authors:Yang, X, Stojkovic, E.A, Kuk, J, Moffat, K.
Deposit date:2007-01-25
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the chromophore binding domain of an unusual bacteriophytochrome, RpBphP3, reveals residues that modulate photoconversion.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5O31
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BU of 5o31 by Molmil
Mitochondrial complex I in the deactive state
Descriptor: Acyl carrier protein, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Blaza, J.N, Vinothkumar, K.R, Hirst, J.
Deposit date:2017-05-23
Release date:2018-01-17
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (4.13 Å)
Cite:Structure of the Deactive State of Mammalian Respiratory Complex I.
Structure, 26, 2018
4LAD
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BU of 4lad by Molmil
Crystal Structure of the Ube2g2:RING-G2BR complex
Descriptor: E3 ubiquitin-protein ligase AMFR, OXALATE ION, Ubiquitin-conjugating enzyme E2 G2, ...
Authors:Liang, Y.-H, Li, J, Das, R, Byrd, R.A, Ji, X.
Deposit date:2013-06-19
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.
Embo J., 32, 2013
3ZYS
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BU of 3zys by Molmil
Human dynamin 1 deltaPRD polymer stabilized with GMPPCP
Descriptor: DYNAMIN-1, INTERFERON-INDUCED GTP-BINDING PROTEIN MX1
Authors:Chappie, J.S, Mears, J.A, Fang, S, Leonard, M, Schmid, S.L, Milligan, R.A, Hinshaw, J.E, Dyda, F.
Deposit date:2011-08-24
Release date:2011-10-12
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (12.2 Å)
Cite:A Pseudoatomic Model of the Dynamin Polymer Identifies a Hydrolysis-Dependent Powerstroke.
Cell(Cambridge,Mass.), 147, 2011
4BO2
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BU of 4bo2 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(1-ethylbenzimidazol-2- yl)-3-(2-methoxyphenyl)urea at 1.9A resolution
Descriptor: 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-18
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO5
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BU of 4bo5 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-chlorophenyl)-4- pyrrol-1-yl-1,3,5-triazin-2-amine at 2.6A resolution
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine, NICKEL (II) ION
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-18
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
1Q5B
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BU of 1q5b by Molmil
lambda-shaped TRANS and CIS interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, W, Cowin, P, Stokes, D.L.
Deposit date:2003-08-06
Release date:2003-10-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (30 Å)
Cite:Untangling Desmosomal Knots with Electron Tomography
Science, 302, 2003
4BO7
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BU of 4bo7 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2,3-dihydro-1H-inden- 5-yl)tetrazolo(1,5-b)pyridazin-6-amine at 2.6A resolution
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-18
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO6
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BU of 4bo6 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2,3-dihydroindol-1-yl-(2- thiophen-3-yl-1,3-thiazol-4-yl)methanone at 2.8A resolution
Descriptor: 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-18
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO8
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BU of 4bo8 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(2-amino-4- phenylimidazol-1-yl)-3-(2-fluorophenyl)urea at 2.7A resolution
Descriptor: 1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, SULFATE ION
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-18
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNT
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BU of 4bnt by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1H- benzimidazole at 2.3A resolution
Descriptor: 2-(trifluoromethyl)-1H-benzimidazole, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-17
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNY
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BU of 4bny by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 4-(2-phenylthieno(3,2-d) pyrimidin-4-yl)morpholine at 1.8A resolution
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-17
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
8UI2
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BU of 8ui2 by Molmil
T33-ml28 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms
Descriptor: T33-ml28-redesigned-CutA-fold, T33-ml28-redesigned-tandem-BMC-T-fold
Authors:Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-09
Release date:2024-03-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
8UKM
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BU of 8ukm by Molmil
T33-ml30 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms
Descriptor: T33-ml30-redesigned-4-OT-fold, T33-ml30-redesigned-tandem-BMC-T-fold
Authors:Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-14
Release date:2024-03-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
3CSI
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BU of 3csi by Molmil
Crystal Structure of the Glutathione Transferase Pi allelic variant*C, I104V/A113V, in complex with the Chlorambucil-Glutathione Conjugate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
1ZR4
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BU of 1zr4 by Molmil
Structure of a Synaptic gamma-delta Resolvase Tetramer Covalently linked to two Cleaved DNAs
Descriptor: AAA, TCAGTGTCCGATAATTTAT, TTATCGGACACTG, ...
Authors:Li, W, Kamtekar, S, Xiong, Y, Sarkis, G.J, Grindley, N.D, Steitz, T.A.
Deposit date:2005-05-19
Release date:2005-08-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of a synaptic gamma delta resolvase tetramer covalently linked to two cleaved DNAs.
Science, 309, 2005
1Y8D
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BU of 1y8d by Molmil
Dimeric parallel-stranded tetraplex with 3+1 5' G-tetrad interface, single-residue chain reversal loops and GAG triad in the context of A(GGGG) pentad
Descriptor: 5'-D(*GP*GP*GP*GP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*GP*T)-3'
Authors:Phan, A.T, Kuryavyi, V.V, Ma, J.-B, Faure, A, Andreola, M.-L, Patel, D.J.
Deposit date:2004-12-11
Release date:2005-02-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An interlocked dimeric parallel-stranded DNA quadruplex: A potent inhibitor of HIV-1 integrase
Proc.Natl.Acad.Sci.USA, 102, 2005
1P1V
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BU of 1p1v by Molmil
Crystal Structure of FALS-associated human Copper-Zinc Superoxide Dismutase (CuZnSOD) Mutant D125H to 1.4A
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Elam, J.S, Malek, K, Rodriguez, J.A, Doucette, P.A, Taylor, A.B, Hayward, L.J, Cabelli, D.E, Valentine, J.S, Hart, P.J.
Deposit date:2003-04-14
Release date:2003-08-26
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Alternative Mechanism of Bicarbonate-mediated Peroxidation by Copper-Zinc Superoxide Dismutase: RATES ENHANCED VIA PROPOSED ENZYME-ASSOCIATED PEROXYCARBONATE INTERMEDIATE
J.Biol.Chem., 278, 2003
3D87
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BU of 3d87 by Molmil
Crystal structure of Interleukin-23
Descriptor: Interleukin-12 subunit p40, Interleukin-23 subunit p19, PHOSPHATE ION, ...
Authors:Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V.
Deposit date:2008-05-22
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
1ZR2
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BU of 1zr2 by Molmil
Structure of a Synaptic gamma-delta Resolvase Tetramer Covalently Linked to two Cleaved DNAs
Descriptor: AAA, TCAGTGTCCGATAATTTAT, TTATCGGACACTG, ...
Authors:Li, W, Kamtekar, S, Xiong, Y, Sarkis, G.J, Grindley, N.D, Steitz, T.A.
Deposit date:2005-05-18
Release date:2005-08-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structure of a synaptic gamma delta resolvase tetramer covalently linked to two cleaved DNAs.
Science, 309, 2005

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