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5DWI
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BU of 5dwi by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
Descriptor: 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-22
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DXP
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BU of 5dxp by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol
Descriptor: 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-23
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4L1S
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BU of 4l1s by Molmil
Covalent modification of transthyretin K15 by yielding the fluorescent conjugate (E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzamide
Descriptor: S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2013-06-03
Release date:2013-10-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fluorogenic small molecules requiring reaction with a specific protein to create a fluorescent conjugate for biological imaging-what we know and what we need to learn.
Biopolymers, 101, 2014
1MJW
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BU of 1mjw by Molmil
STRUCTURE OF INORGANIC PYROPHOSPHATASE MUTANT D42N
Descriptor: INORGANIC PYROPHOSPHATASE, SULFATE ION
Authors:Oganesyan, V, Harutyunyan, E.H, Avaeva, S.M, Samygina, V.R, Huber, R.
Deposit date:1997-02-08
Release date:1997-12-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-dimensional structures of mutant forms of E. coli inorganic pyrophosphatase with Asp-->Asn single substitution in positions 42, 65, 70, and 97.
Biochemistry Mosc., 63, 1998
1MJX
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BU of 1mjx by Molmil
STRUCTURE OF INORGANIC PYROPHOSPHATASE MUTANT D65N
Descriptor: INORGANIC PYROPHOSPHATASE, SULFATE ION
Authors:Oganesyan, V, Harutyunyan, E.H, Avaeva, S.M, Huber, R.
Deposit date:1997-02-08
Release date:1997-12-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Three-dimensional structures of mutant forms of E. coli inorganic pyrophosphatase with Asp-->Asn single substitution in positions 42, 65, 70, and 97.
Biochemistry Mosc., 63, 1998
3TX1
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BU of 3tx1 by Molmil
X-ray crystal structure of Listeria monocytogenes EGD-e UDP-N-acetylenolpyruvylglucosamine reductase (MurB)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-09-22
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:X-ray crystal structure of Listeria monocytogenes EGD-e UDP-N-acetylenolpyruvylglucosamine reductase (MurB).
TO BE PUBLISHED
3ZDB
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BU of 3zdb by Molmil
Structure of E. coli ExoIX in complex with the palindromic 5ov4 DNA oligonucleotide, di-magnesium and potassium
Descriptor: 5OV4 DNA, 5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*CP)-3', ACETATE ION, ...
Authors:Hemsworth, G.R, Anstey-Gilbert, C.S, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J.
Deposit date:2012-11-26
Release date:2013-07-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
3QIW
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BU of 3qiw by Molmil
Crystal structure of the 226 TCR in complex with MCC-p5E/I-Ek
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ...
Authors:Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
Deposit date:2011-01-27
Release date:2011-04-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
6N7R
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BU of 6n7r by Molmil
Saccharomyces cerevisiae spliceosomal E complex (ACT1)
Descriptor: 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ...
Authors:Liu, S, Li, X, Zhou, Z.H, Zhao, R.
Deposit date:2018-11-28
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
3NXR
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BU of 3nxr by Molmil
Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
Descriptor: 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2010-07-14
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
3VUB
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BU of 3vub by Molmil
CCDB, A TOPOISOMERASE POISON FROM E. COLI
Descriptor: CCDB, CHLORIDE ION
Authors:Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
Deposit date:1998-04-17
Release date:1998-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
4YNC
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BU of 4ync by Molmil
OYE1 W116A COMPLEXED WITH (Z)-METHYL-3-CYANO-3-PHENYLACRYLATE IN A NON PRODUCTIVE BINDING MODE
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, ...
Authors:Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W.
Deposit date:2015-03-09
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams
Adv.Synth.Catal., 357, 2015
3NXO
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BU of 3nxo by Molmil
Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
Descriptor: 5-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2010-07-14
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
3NXV
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BU of 3nxv by Molmil
Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
Descriptor: 5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2010-07-14
Release date:2010-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
4YIL
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BU of 4yil by Molmil
OYE1 W116A COMPLEXED WITH (Z)-METHYL 3-CYANO-3-(4-FLUOROPHENYL)ACRYLATE IN A NON PRODUCTIVE BINDING MODE
Descriptor: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, NADPH dehydrogenase 1, ...
Authors:Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W.
Deposit date:2015-03-02
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams
Adv.Synth.Catal., 357, 2015
1TGV
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BU of 1tgv by Molmil
Structure of E. coli Uridine Phosphorylase complexed with 5-Fluorouridine and sulfate
Descriptor: 5-FLUOROURIDINE, POTASSIUM ION, SULFATE ION, ...
Authors:Bu, W, Settembre, E.C, Sanders, J.M, Begley, T.P, Ealick, S.E.
Deposit date:2004-05-31
Release date:2005-06-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of E. coli Uridine Phosphorylase
To be Published, 2004
7JQW
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BU of 7jqw by Molmil
The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-AMINOPHENOL, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-08-11
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
4E1T
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BU of 4e1t by Molmil
X-ray crystal structure of the transmembrane beta-domain from invasin from Yersinia pseudotuberculosis
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Invasin
Authors:Fairman, J.W, Dautin, N, Wojtowicz, D, Wei, L, Noinaj, N, Barnard, T.J, Udho, E, Finkelstein, A, Przytycka, T.M, Cherezov, V, Buchanan, S.K.
Deposit date:2012-03-07
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.263 Å)
Cite:Crystal Structures of the Outer Membrane Domain of Intimin and Invasin from Enterohemorrhagic E. coli and Enteropathogenic Y. pseudotuberculosis.
Structure, 20, 2012
4E1S
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BU of 4e1s by Molmil
X-ray crystal structure of the transmembrane beta-domain from intimin from EHEC strain O157:H7
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
Authors:Fairman, J.W, Dautin, N, Wojtowicz, D, Wei, L, Noinaj, N, Barnard, T.J, Udho, E, Finkelstein, A, Przytycka, T.M, Cherezov, V, Buchanan, S.K.
Deposit date:2012-03-07
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:Crystal Structures of the Outer Membrane Domain of Intimin and Invasin from Enterohemorrhagic E. coli and Enteropathogenic Y. pseudotuberculosis.
Structure, 20, 2012
1JQY
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BU of 1jqy by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010
Descriptor: (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, HEAT-LABILE ENTEROTOXIN B CHAIN
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2001-08-09
Release date:2002-05-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
3BFB
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BU of 3bfb by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera in complex with the 9-keto-2(E)-decenoic acid
Descriptor: (2Z)-9-oxodec-2-enoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
Deposit date:2007-11-21
Release date:2008-06-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
1KMI
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BU of 1kmi by Molmil
CRYSTAL STRUCTURE OF AN E.COLI CHEMOTAXIS PROTEIN, CHEZ
Descriptor: BERYLLIUM TRIFLUORIDE ION, BICINE, Chemotaxis protein cheY, ...
Authors:Zhao, R, Collins, E.J, Bourret, R.B, Silversmith, R.E.
Deposit date:2001-12-16
Release date:2002-07-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and catalytic mechanism of the E. coli chemotaxis phosphatase CheZ.
Nat.Struct.Biol., 9, 2002
1VUB
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BU of 1vub by Molmil
CCDB, A TOPOISOMERASE POISON FROM E. COLI
Descriptor: CCDB, CHLORIDE ION
Authors:Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
Deposit date:1998-04-17
Release date:1998-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
6KBB
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BU of 6kbb by Molmil
Role of the DEF/Y motif of Swc5 in histone H2A.Z deposition
Descriptor: Histone H2A type 1-D, Histone H2B type 2-E, SWR1-complex protein 5
Authors:Huang, Y, Zhou, Z.
Deposit date:2019-06-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.365 Å)
Cite:Role of a DEF/Y motif in histone H2A-H2B recognition and nucleosome editing.
Proc.Natl.Acad.Sci.USA, 117, 2020
7XA1
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BU of 7xa1 by Molmil
Thermotoga maritima ferritin variant-Tm-E(S111Y)
Descriptor: FE (III) ION, Ferritin
Authors:Yu, L, Guanghua, Z.
Deposit date:2022-03-16
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thermotoga maritima ferritin variant-Tm-E(S111Y)
To Be Published

243911

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