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4RMD
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BU of 4rmd by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Muccio, D.D.
Deposit date:2014-10-21
Release date:2015-09-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
3BRO
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BU of 3bro by Molmil
Crystal structure of the transcription regulator MarR from Oenococcus oeni PSU-1
Descriptor: CHLORIDE ION, GLYCEROL, Transcriptional regulator
Authors:Kim, Y, Volkart, L, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-12-21
Release date:2008-01-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal Structure of the Transcription Regulator MarR from Oenococcus oeni PSU-1.
To be Published
1E3A
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BU of 1e3a by Molmil
A slow processing precursor penicillin acylase from Escherichia coli
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Hewitt, L, Kasche, V, Lummer, K, Lewis, R.J, Murshudov, G.N, Verma, C.S, Dodson, G.G, Wilson, K.S.
Deposit date:2000-06-07
Release date:2000-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a Slow Processing Precursor Penicillin Acylase from Escherichia Coli Reveals the Linker Peptide Blocking the Active-Site Cleft
J.Mol.Biol., 302, 2000
5W3U
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BU of 5w3u by Molmil
Crystal structure of SsoPox AsB5 mutant (V27A-I76T-Y97W-Y99F-L130P-L226V)
Descriptor: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
Authors:Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M.
Deposit date:2017-06-08
Release date:2017-12-20
Last modified:2021-08-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
5W4B
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BU of 5w4b by Molmil
The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to benzothiazole inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide, Adenosylhomocysteinase, ...
Authors:Dougan, D.R, Lawson, J.D, Lane, W.
Deposit date:2017-06-09
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification of AHCY inhibitors using novel high-throughput mass spectrometry.
Biochem. Biophys. Res. Commun., 491, 2017
4PP5
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BU of 4pp5 by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 5-methyl UAB30 and the coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2014-02-26
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
3WYA
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BU of 3wya by Molmil
Crystal structure of GDP-bound EF1alpha from Pyrococcus horikoshii
Descriptor: Elongation factor 1-alpha, GUANOSINE-5'-DIPHOSPHATE
Authors:Ito, K, Honda, T, Suzuki, T, Miyoshi, T, Murakami, R, Yao, M, Uchiumi, T.
Deposit date:2014-08-22
Release date:2014-12-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular insights into the interaction of the ribosomal stalk protein with elongation factor 1 alpha.
Nucleic Acids Res., 42, 2014
4OOL
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BU of 4ool by Molmil
Crystal structure of PBP3 in complex with compound 14 ((2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid)
Descriptor: (2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid, Cell division protein FtsI [Peptidoglycan synthetase]
Authors:Han, S, Caspers, N, Knafels, J.D.
Deposit date:2014-02-03
Release date:2014-05-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
4J8P
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BU of 4j8p by Molmil
Crystal structure of a Putative flavoprotein (BACUNI_04544) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Flavodoxin, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-02-14
Release date:2013-03-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a Putative flavoprotein (BACUNI_04544) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution
To be published
3X2F
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BU of 3x2f by Molmil
A Thermophilic S-Adenosylhomocysteine Hydrolase
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Adenosylhomocysteinase, NITRATE ION, ...
Authors:Zheng, Y, Ko, T.P, Huang, C.H.
Deposit date:2014-12-21
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structures of S-adenosylhomocysteine hydrolase from the thermophilic bacterium Thermotoga maritima.
J.Struct.Biol., 190, 2015
7DZ1
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BU of 7dz1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-benzyl-5-methyl-1H-imidazole-2-carboxylic acid
Descriptor: 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-23
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
2X77
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BU of 2x77 by Molmil
Crystal Structure of Leishmania major ADP ribosylation factor-like 1.
Descriptor: ADP-RIBOSYLATION FACTOR, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Fleming, J.R, Dawson, A, Hunter, W.N.
Deposit date:2010-02-24
Release date:2010-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Leishmania Major Adp Ribosylation Factor-Like 1 and a Classification of Related Gtpase Family Members in This Kinetoplastid.
Mol.Biochem.Parasitol., 174, 2010
4OZQ
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BU of 4ozq by Molmil
Crystal structure of the mouse Kif14 motor domain
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Chimera of Maltose-binding periplasmic protein and Kinesin family member 14 protein
Authors:Arora, K, Talje, L, Asenjo, A.B, Andersen, P, Atchia, K, Joshi, M, Sosa, H, Kwok, B.H, Allingham, J.S.
Deposit date:2014-02-18
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:KIF14 binds tightly to microtubules and adopts a rigor-like conformation.
J.Mol.Biol., 426, 2014
7KSC
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BU of 7ksc by Molmil
Crystal structure of Pun g 1.0101
Descriptor: Non-specific lipid-transfer protein, SULFATE ION
Authors:Pote, S, O'Malley, A, Gawlicka-Chruszcz, A, Tuppo, L, Ciardiello, M.A, Chruszcz, M.
Deposit date:2020-11-21
Release date:2021-01-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Characterization of Act c 10.0101 and Pun g 1.0101-Allergens from the Non-Specific Lipid Transfer Protein Family.
Molecules, 26, 2021
1GN0
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BU of 1gn0 by Molmil
Escherichia coli GlpE sulfurtransferase soaked with KCN
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, THIOSULFATE SULFURTRANSFERASE GLPE
Authors:Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D.
Deposit date:2001-10-01
Release date:2001-11-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily
Structure, 9, 2001
7KUV
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BU of 7kuv by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Acetate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-11-25
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
2WV6
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BU of 2wv6 by Molmil
Crystal structure of the cholera toxin-like B-subunit from Citrobacter freundii to 1.9 angstrom
Descriptor: 1,2-ETHANEDIOL, CFXB, GLYCEROL
Authors:Jansson, L, Lebens, M, Imberty, A, Varrot, A, Teneberg, S.
Deposit date:2009-10-15
Release date:2009-10-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Carbohydrate Binding Specificities and Crystal Structure of the Cholera Toxin-Like B-Subunit from Citrobacter Freundii.
Biochimie, 92, 2010
7L9U
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BU of 7l9u by Molmil
Crystal Structure of S-adenosylmethionine-dependent methyltransferase UmaA from Mycobacterium tuberculosis in complex with a 12-mer PEG
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DODECAETHYLENE GLYCOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-01-05
Release date:2021-02-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of S-adenosylmethionine-dependent methyltransferase UmaA from Mycobacterium tuberculosis in complex with a 12-mer PEG
to be published
4POA
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BU of 4poa by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-BN
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-02-25
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4POH
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BU of 4poh by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 8-methyl UAB30 and the coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2014-02-25
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
3EYX
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BU of 3eyx by Molmil
Crystal structure of Carbonic Anhydrase Nce103 from Saccharomyces cerevisiae
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Carbonic anhydrase, ...
Authors:Teng, Y.B, Jiang, Y.L, Chen, Y, Zhou, C.Z.
Deposit date:2008-10-22
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural insights into the substrate tunnel of Saccharomyces cerevisiae carbonic anhydrase Nce103.
Bmc Struct.Biol., 9, 2009
4PP3
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BU of 4pp3 by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 6-methyl UAB30 and the coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2014-02-26
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
2G7R
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BU of 2g7r by Molmil
X-ray structure of the death domain of the human mucosa associated lymphoid tissue lymphoma translocation protein 1
Descriptor: Mucosa-associated lymphoid tissue lymphoma translocation protein 1
Authors:Walker, J.R, Wybenga-Groot, L, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-02-28
Release date:2006-04-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray structure of the death domain of the human mucosa associated lymphoid tissue lymphoma translocation protein 1
To be Published
7KV1
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BU of 7kv1 by Molmil
Surface glycan-binding protein A from Bacteroides uniformis
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT HEXAMMINE(III), ...
Authors:Tamura, K, Brumer, H, Van Petegem, F.
Deposit date:2020-11-26
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Distinct protein architectures mediate species-specific beta-glucan binding and metabolism in the human gut microbiota.
J.Biol.Chem., 296, 2021
7KQZ
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BU of 7kqz by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate from Coccidioides immitis RS
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-18
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate from Coccidioides immitis RS
to be published

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