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2RES
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BU of 2res by Molmil
Tetracenomycin ARO/CYC mutant R69A
Descriptor: Multifunctional cyclase-dehydratase-3-O-methyl transferase tcmN
Authors:Ames, B.D, Tsai, S.C.
Deposit date:2007-09-26
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and functional analysis of tetracenomycin ARO/CYC: implications for cyclization specificity of aromatic polyketides.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2REZ
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BU of 2rez by Molmil
Tetracenomycin ARO/CYC NaI Structure
Descriptor: ACETATE ION, IODIDE ION, Multifunctional cyclase-dehydratase-3-O-methyl transferase tcmN
Authors:Ames, B.D, Tsai, S.C.
Deposit date:2007-09-27
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure and functional analysis of tetracenomycin ARO/CYC: implications for cyclization specificity of aromatic polyketides.
Proc.Natl.Acad.Sci.Usa, 105, 2008
8TJX
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BU of 8tjx by Molmil
Tetrahymena Ribozyme cryo-EM scaffold
Descriptor: MAGNESIUM ION, RNA (440-MER)
Authors:Langeberg, C.J, Kieft, J.S.
Deposit date:2023-07-24
Release date:2023-11-01
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:A generalizable scaffold-based approach for structure determination of RNAs by cryo-EM.
Nucleic Acids Res., 51, 2023
6XY1
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BU of 6xy1 by Molmil
Crystal structure of a de novo designed parallel four-helix coiled coil, 4-KE-4.
Descriptor: 4-KE-4
Authors:Edgell, C.L, Savery, N.J, Woolfson, D.N.
Deposit date:2020-01-29
Release date:2020-03-18
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:RobustDe Novo-Designed Homotetrameric Coiled Coils.
Biochemistry, 59, 2020
6XXZ
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BU of 6xxz by Molmil
Crystal structure of a de novo designed parallel four-helix coiled coil, 2-EK-4
Descriptor: 2-EK-4, PROPANOIC ACID
Authors:Edgell, C.L, Savery, N.J, Woolfson, D.N.
Deposit date:2020-01-29
Release date:2020-03-18
Last modified:2020-03-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:RobustDe Novo-Designed Homotetrameric Coiled Coils.
Biochemistry, 59, 2020
6XY0
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BU of 6xy0 by Molmil
Crystal structure of a de novo designed parallel four-helix coiled coil, 3-EK-4
Descriptor: 3-EK-4
Authors:Edgell, C.L, Savery, N.J, Woolfson, D.N.
Deposit date:2020-01-29
Release date:2020-03-18
Last modified:2020-03-25
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:RobustDe Novo-Designed Homotetrameric Coiled Coils.
Biochemistry, 59, 2020
7CY7
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BU of 7cy7 by Molmil
Crystal Structure of CMD1 in complex with DNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(P*CP*GP*CP*GP*CP*GP*GP*GP*A)-3'), FE (II) ION, ...
Authors:Li, W, Zhang, T, Sun, M, Ding, J.
Deposit date:2020-09-03
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular mechanism for vitamin C-derived C 5 -glyceryl-methylcytosine DNA modification catalyzed by algal TET homologue CMD1.
Nat Commun, 12, 2021
7CY5
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BU of 7cy5 by Molmil
Crystal Structure of CMD1 in complex with vitamin C
Descriptor: ASCORBIC ACID, CITRIC ACID, FE (III) ION, ...
Authors:Li, W, Zhang, T, Sun, M, Ding, J.
Deposit date:2020-09-03
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular mechanism for vitamin C-derived C 5 -glyceryl-methylcytosine DNA modification catalyzed by algal TET homologue CMD1.
Nat Commun, 12, 2021
7CY8
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BU of 7cy8 by Molmil
Crystal Structure of CMD1 in complex with 5mC-DNA and vitamin C
Descriptor: 1,2-ETHANEDIOL, ASCORBIC ACID, DNA (5'-D(P*(5CM)P*GP*CP*GP*CP*GP*GP*GP*A)-3'), ...
Authors:Li, W, Zhang, T, Sun, M, Ding, J.
Deposit date:2020-09-03
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular mechanism for vitamin C-derived C 5 -glyceryl-methylcytosine DNA modification catalyzed by algal TET homologue CMD1.
Nat Commun, 12, 2021
7CY4
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BU of 7cy4 by Molmil
Crystal Structure of CMD1 in apo form
Descriptor: CITRIC ACID, FE (III) ION, Maltodextrin-binding protein,5-methylcytosine-modifying enzyme 1
Authors:Li, W, Zhang, T, Sun, M, Ding, J.
Deposit date:2020-09-03
Release date:2020-12-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular mechanism for vitamin C-derived C 5 -glyceryl-methylcytosine DNA modification catalyzed by algal TET homologue CMD1.
Nat Commun, 12, 2021
5DS0
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BU of 5ds0 by Molmil
Crystal structure of TET aminopeptidase from marine sediment archaeon Thaumarchaeota archaeon SCGC AB-539-E09
Descriptor: COBALT (II) ION, GLYCEROL, Peptidase M42
Authors:Michalska, K, Chhor, G, Mootz, J, Endres, M, Jedrzejczak, R, Babnigg, G, Steen, A, Lloyd, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-09-16
Release date:2015-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of TET aminopeptidase from marine sediment archaeon Thaumarchaeota archaeon SCGC AB-539-E09
To Be Published
8F8M
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BU of 8f8m by Molmil
LRH-1 bound to small molecule Tet and fragment of coactivator Tif2
Descriptor: (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2022-11-22
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Isosteric improvements to liver receptor homolog-1 small molecule modulators
To Be Published
1HAZ
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BU of 1haz by Molmil
Snapshots of serine protease catalysis: (C) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 9 for 1 minute
Descriptor: BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ...
Authors:Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
8A3K
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BU of 8a3k by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 4-helix coiled-coil bundle, sc-apCC-4
Descriptor: sc-apCC-4
Authors:Albanese, K.I, Mylemans, B, Naudin, E.A, Woolfson, D.N.
Deposit date:2022-06-08
Release date:2022-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
4LAL
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BU of 4lal by Molmil
Crystal structure of Cordyceps militaris IDCase D323A mutant in complex with 5-carboxyl-uracil
Descriptor: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ...
Authors:Xu, S, Li, W, Zhu, J, Ding, J.
Deposit date:2013-06-20
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4LAM
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BU of 4lam by Molmil
Crystal structure of Cordyceps militaris IDCase D323N mutant in complex with 5-carboxyl-uracil
Descriptor: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ...
Authors:Xu, S, Li, W, Zhu, J, Ding, J.
Deposit date:2013-06-20
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
2XX9
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BU of 2xx9 by Molmil
Crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XX7
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BU of 2xx7 by Molmil
Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XX8
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BU of 2xx8 by Molmil
Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-27
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XXH
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BU of 2xxh by Molmil
Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution.
Descriptor: 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-10
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2CMO
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BU of 2cmo by Molmil
The structure of a mixed glur2 ligand-binding core dimer in complex with (s)-glutamate and the antagonist (s)-ns1209
Descriptor: 2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Kasper, C, Pickering, D.S, Mirza, O, Olsen, L, Kristensen, A.S, Greenwood, J.R, Liljefors, T, Schousboe, A, Watjen, F, Gajhede, M, Sigurskjold, B.W, Kastrup, J.S.
Deposit date:2006-05-11
Release date:2006-06-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Structure of a Mixed Glur2 Ligand-Binding Core Dimer in Complex with (S)-Glutamate and the Antagonist (S)-Ns1209.
J.Mol.Biol., 357, 2006
1KAW
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BU of 1kaw by Molmil
STRUCTURE OF SINGLE STRANDED DNA BINDING PROTEIN (SSB)
Descriptor: SINGLE-STRANDED DNA BINDING PROTEIN
Authors:Raghunathan, S, Waksman, G.
Deposit date:1996-12-06
Release date:1997-12-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the homo-tetrameric DNA binding domain of Escherichia coli single-stranded DNA-binding protein determined by multiwavelength x-ray diffraction on the selenomethionyl protein at 2.9-A resolution.
Proc.Natl.Acad.Sci.USA, 94, 1997
1XFO
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BU of 1xfo by Molmil
Crystal Structure of an archaeal aminopeptidase
Descriptor: Frv operon protein FrvX, ZINC ION
Authors:Russo, S, Baumann, U.
Deposit date:2004-09-15
Release date:2004-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of a dodecameric tetrahedral shaped aminopeptidase
J.Biol.Chem., 279, 2004
2D3R
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BU of 2d3r by Molmil
Cratylia folibunda seed lectin at acidic pH
Descriptor: CALCIUM ION, Lectin alpha chain, MANGANESE (II) ION
Authors:Del Sol, F.G, Cavada, B.S, Calvete, J.J.
Deposit date:2005-09-30
Release date:2005-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of Cratylia floribunda seed lectin at acidic and basic pHs. Insights into the structural basis of the pH-dependent dimer-tetramer transition.
J.Struct.Biol., 158, 2007
2D3P
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BU of 2d3p by Molmil
Cratylia Floribunda seed lectin crystallized at basic pH
Descriptor: CALCIUM ION, Lectin alpha chain, MANGANESE (II) ION
Authors:Del Sol, F.G, Cavada, B.S, Calvete, J.J.
Deposit date:2005-09-30
Release date:2005-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of Cratylia floribunda seed lectin at acidic and basic pHs. Insights into the structural basis of the pH-dependent dimer-tetramer transition.
J.Struct.Biol., 158, 2007

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