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6HMR
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BU of 6hmr by Molmil
Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2)
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, MALONIC ACID
Authors:Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U.
Deposit date:2018-09-12
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
4S2U
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BU of 4s2u by Molmil
Crystal structure of the Phosphorybosylpyrophosphate synthetase from E. Coli
Descriptor: MAGNESIUM ION, Ribose-phosphate pyrophosphokinase
Authors:Timofeev, V.I, Abramchik, Y.A, Muravieva, T.I, Iaroslavtceva, A.K, Stepanenko, V.N, Zhukhlistova, N.E, Esipov, R.S, Kuranova, I.P.
Deposit date:2015-01-23
Release date:2016-01-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal structure of the Phosphorybosylpyrophosphate synthetase from E. Coli
To be Published
1YVQ
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BU of 1yvq by Molmil
The low salt (PEG) crystal structure of CO Hemoglobin E (betaE26K) approaching physiological pH (pH 7.5)
Descriptor: CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ...
Authors:Malashkevich, V.N, Balazs, T.C, Almo, S.C, Hirsch, R.E.
Deposit date:2005-02-16
Release date:2006-02-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of CO Hemoglobin E (betaE26K) approaching physiological pH (pH 7.5)
To be Published
2OS1
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BU of 2os1 by Molmil
Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
Descriptor: ACTINONIN, NICKEL (II) ION, Peptide deformylase, ...
Authors:Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Park, H.S.
Deposit date:2007-02-05
Release date:2008-03-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
3DNF
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BU of 3dnf by Molmil
Structure of (E)-4-Hydroxy-3-methyl-but-2-enyl Diphosphate Reductase, the Terminal Enzyme of the Non-Mevalonate Pathway
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, GLYCEROL
Authors:Rekittke, I.
Deposit date:2008-07-02
Release date:2008-12-30
Last modified:2020-09-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of (E)-4-Hydroxy-3-methyl-but-2-enyl Diphosphate Reductase, the Terminal Enzyme of the Non-Mevalonate Pathway.
J.Am.Chem.Soc., 2008
5VM8
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BU of 5vm8 by Molmil
Crystal structure of a Ribosomal RNA small subunit methyltransferase E from Neisseria gonorrhoeae bound to S-adenosyl methionine
Descriptor: Ribosomal RNA small subunit methyltransferase E, S-ADENOSYLMETHIONINE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-26
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a Ribosomal RNA small subunit methyltransferase E from Neisseria gonorrhoeae bound to S-adenosyl methionine
To Be Published
2HEM
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BU of 2hem by Molmil
NMR structure and Mg2+ binding of an RNA segment that underlies the L7/L12 stalk in the E.coli 50S ribosomal subunit.
Descriptor: 5'-R(P*GP*GP*GP*AP*AP*GP*GP*CP*GP*CP*UP*UP*CP*GP*GP*CP*GP*UP*CP*GP*GP*CP*CP*C)-3'
Authors:Zhao, Q, Nagaswamy, U, Lee, H, Xia, Y, Gao, X, Fox, G.
Deposit date:2006-06-21
Release date:2006-09-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure and Mg2+ binding of an RNA segment that underlies the L7/L12 stalk in the E.coli 50S ribosomal subunit
Nucleic Acids Res., 33, 2005
1JWE
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BU of 1jwe by Molmil
NMR Structure of the N-Terminal Domain of E. Coli Dnab Helicase
Descriptor: PROTEIN (DNAB HELICASE)
Authors:Weigelt, J, Brown, S.E, Miles, C.S, Dixon, N.E, Otting, G.
Deposit date:1999-01-22
Release date:1999-01-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of the N-terminal domain of E. coli DnaB helicase: implications for structure rearrangements in the helicase hexamer.
Structure Fold.Des., 7, 1999
1YVT
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BU of 1yvt by Molmil
The high salt (phosphate) crystal structure of CO Hemoglobin E (Glu26Lys) at physiological pH (pH 7.35)
Descriptor: CARBON MONOXIDE, GLYCEROL, Hemoglobin alpha chain, ...
Authors:Malashkevich, V.N, Balazs, T.C, Almo, S.C, Hirsch, R.E.
Deposit date:2005-02-16
Release date:2006-02-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The high salt (phosphate) crystal structure of CO Hemoglobin E (Glu26Lys) at physiological pH (pH 7.35)
To be Published
3QIB
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BU of 3qib by Molmil
Crystal structure of the 2B4 TCR in complex with MCC/I-Ek
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 beta chain, DI(HYDROXYETHYL)ETHER, ...
Authors:Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
Deposit date:2011-01-26
Release date:2011-04-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
4HKH
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BU of 4hkh by Molmil
Structure of the Hcp1 protein from E. coli EAEC 042 pathovar, mutants N93W-S158W
Descriptor: Putative type VI secretion protein, SULFATE ION
Authors:Douzi, B, Spinelli, S, Derrez, E, Blangy, S, Brunet, Y.R, Cascales, E, Cambillau, C.
Deposit date:2012-10-15
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of the Hcp1 protein from E. coli EAEC 042 pathovar, mutants N93W-S158W
To be Published
2OVP
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BU of 2ovp by Molmil
Structure of the Skp1-Fbw7 complex
Descriptor: F-box/WD repeat protein 7, S-phase kinase-associated protein 1A
Authors:Hao, B, Oehlmann, S, Sowa, M.E, Harper, J.W, Pavletich, N.P.
Deposit date:2007-02-14
Release date:2007-04-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a Fbw7-Skp1-Cyclin E Complex: Multisite-Phosphorylated Substrate Recognition by SCF Ubiquitin Ligases
Mol.Cell, 26, 2007
2R69
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BU of 2r69 by Molmil
Crystal structure of Fab 1A1D-2 complexed with E-DIII of Dengue virus at 3.8 angstrom resolution
Descriptor: Heavy chain of 1A1D-2, Light chain of 1A1D-2, Major envelope protein E
Authors:Lok, S.M, Kostyuchenko, V.K, Nybakken, G.E, Holdaway, H.A, Battisti, A.J, Sukupolvi-petty, S, Sedlak, D, Fremont, D.H, Chipman, P.R, Roehrig, J.T, Diamond, M.S, Kuhn, R.J, Rossmann, M.G.
Deposit date:2007-09-05
Release date:2007-12-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Binding of a neutralizing antibody to dengue virus alters the arrangement of surface glycoproteins.
Nat.Struct.Mol.Biol., 15, 2008
3NXT
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BU of 3nxt 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[2m,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
Descriptor: 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]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 (1.7 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
5XMX
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BU of 5xmx by Molmil
Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD
Descriptor: (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid, Peroxisome proliferator-activated receptor delta
Authors:Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N.
Deposit date:2017-05-16
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel highly selective peroxisome proliferator-activated receptor delta (PPAR delta) modulators with pharmacokinetic properties suitable for once-daily oral dosing.
Bioorg. Med. Chem. Lett., 27, 2017
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
2OS3
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BU of 2os3 by Molmil
Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
Descriptor: ACTINONIN, COBALT (II) ION, Peptide deformylase
Authors:Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Parh, H.S.
Deposit date:2007-02-05
Release date:2008-03-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
2OS0
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BU of 2os0 by Molmil
Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
Descriptor: NICKEL (II) ION, Peptide deformylase, SULFATE ION
Authors:Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Park, H.S.
Deposit date:2007-02-05
Release date:2008-03-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
2Y0F
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BU of 2y0f by Molmil
STRUCTURE OF GCPE (IspG) FROM THERMUS THERMOPHILUS HB27
Descriptor: 4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE, IRON/SULFUR CLUSTER
Authors:Rekittke, I, Nonaka, T, Wiesner, J, Demmer, U, Warkentin, E, Jomaa, H, Ermler, U.
Deposit date:2010-12-02
Release date:2011-01-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the E-1-Hydroxy-2-Methyl-But-2-Enyl-4-Diphosphate Synthase (Gcpe) from Thermus Thermophilus.
FEBS Lett., 585, 2011
4OXP
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BU of 4oxp by Molmil
X-ray crystal structure of the S1 and 5'-sensor domains of RNase E from Caulobacter crescentus
Descriptor: Ribonuclease E
Authors:Voss, J.E, Luisi, B.F.L, Hardwick, S.W.
Deposit date:2014-02-06
Release date:2014-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular recognition of RhlB and RNase D in the Caulobacter crescentus RNA degradosome.
Nucleic Acids Res., 42, 2014
1MJZ
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BU of 1mjz by Molmil
STRUCTURE OF INORGANIC PYROPHOSPHATASE MUTANT D97N
Descriptor: INORGANIC PYROPHOSPHATASE
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 (2.2 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
3HFU
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BU of 3hfu by Molmil
Crystal structure of the ligand binding domain of E. coli CynR with its specific effector azide
Descriptor: 1,2-ETHANEDIOL, AZIDE ION, HTH-type transcriptional regulator cynR
Authors:Singer, A.U, Evdokimova, E, Kagan, O, Dong, A, Edwards, A.M, Savchenko, A.
Deposit date:2009-05-12
Release date:2009-06-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the ligand binding domain of E. coli CynR with its specific effector azide
TO BE PUBLISHED
1TMH
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BU of 1tmh by Molmil
MODULAR MUTAGENESIS OF A TIM-BARREL ENZYME: THE CRYSTAL STRUCTURE OF A CHIMERIC E. COLI TIM HAVING THE EIGHTH (BETA-ALPHA)-UNIT REPLACED BY THE EQUIVALENT UNIT OF CHICKEN TIM
Descriptor: SULFATE ION, TRIOSEPHOSPHATE ISOMERASE
Authors:Radha Kishan, K.V, Zeelen, J.Ph, Wierenga, R.K.
Deposit date:1994-03-22
Release date:1994-06-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Modular mutagenesis of a TIM-barrel enzyme: the crystal structure of a chimeric E. coli TIM having the eighth beta alpha-unit replaced by the equivalent unit of chicken TIM.
Protein Eng., 7, 1994
1EFC
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BU of 1efc by Molmil
INTACT ELONGATION FACTOR FROM E.COLI
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (ELONGATION FACTOR)
Authors:Song, H, Parsons, M.R, Rowsell, S, Leonard, G, Phillips, S.E.V.
Deposit date:1998-11-24
Release date:1999-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of intact elongation factor EF-Tu from Escherichia coli in GDP conformation at 2.05 A resolution.
J.Mol.Biol., 285, 1999
4HJT
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BU of 4hjt by Molmil
Kinetic stabilization of transthyretin through covalent modification of K15 by (E)-N-(4-(4-hydroxy-3,5-dimethylstyryl)phenyl)propionamide
Descriptor: N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2012-10-14
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis.
J.Am.Chem.Soc., 135, 2013

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