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1F9I
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BU of 1f9i by Molmil
CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT Y42F
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Brudler, R, Meyer, T.E, Genick, U.K, Tollin, G, Getzoff, E.D.
Deposit date:2000-07-10
Release date:2000-07-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Coupling of hydrogen bonding to chromophore conformation and function in photoactive yellow protein.
Biochemistry, 39, 2000
6B8E
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BU of 6b8e by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 180 K
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2017-10-06
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
1RCV
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BU of 1rcv by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1
Descriptor: [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB)
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-04
Release date:2004-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
4LS8
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BU of 4ls8 by Molmil
Crystal structure of Bacillus subtilis beta-ketoacyl-ACP synthase II (FabF) in a covalent complex with cerulenin
Descriptor: (3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide, 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Trajtenberg, F, Larrieux, N, Buschiazzo, A.
Deposit date:2013-07-22
Release date:2014-04-02
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into bacterial resistance to cerulenin.
Febs J., 281, 2014
5FA0
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BU of 5fa0 by Molmil
The structure of the beta-3-deoxy-D-manno-oct-2-ulosonic acid transferase domain from WbbB
Descriptor: CHLORIDE ION, Putative N-acetyl glucosaminyl transferase
Authors:Mallette, E, Ovchinnikova, O.G, Whitfield, C, Kimber, M.S.
Deposit date:2015-12-10
Release date:2016-05-18
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bacterial beta-Kdo glycosyltransferases represent a new glycosyltransferase family (GT99).
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
1P2R
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BU of 1p2r by Molmil
T4 LYSOZYME CORE REPACKING MUTANT I78V/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-15
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1RF8
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BU of 1rf8 by Molmil
Solution structure of the yeast translation initiation factor eIF4E in complex with m7GDP and eIF4GI residues 393 to 490
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic initiation factor 4F subunit p150, Eukaryotic translation initiation factor 4E, ...
Authors:Gross, J.D, Moerke, N.J, von der Haar, T, Lugovskoy, A.A, Sachs, A.B, McCarthy, J.E.G, Wagner, G.
Deposit date:2003-11-07
Release date:2003-12-23
Last modified:2024-03-06
Method:SOLUTION NMR
Cite:Ribosome loading onto the mRNA cap is driven by conformational coupling between eIF4G and eIF4E.
Cell(Cambridge,Mass.), 115, 2003
1BVA
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BU of 1bva by Molmil
MANGANESE BINDING MUTANT IN CYTOCHROME C PEROXIDASE
Descriptor: MANGANESE (II) ION, PROTEIN (CYTOCHROME C PEROXIDASE), PROTOPORPHYRIN IX CONTAINING FE
Authors:Wilcox, S.K, Mcree, D.E, Goodin, D.B.
Deposit date:1998-09-15
Release date:1998-12-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Rational design of a functional metalloenzyme: introduction of a site for manganese binding and oxidation into a heme peroxidase.
Biochemistry, 37, 1998
7F4B
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BU of 7f4b by Molmil
The crystal structure of the immature apo-enzyme of homoserine dehydrogenase from the hyperthermophilic archaeon Sulfurisphaera tokodaii.
Descriptor: MAGNESIUM ION, homoserine dehydrogenase
Authors:Kurihara, E, Kubota, T, Watanabe, K, Ogata, K, Kaneko, R, Oshima, T, Yoshimune, K, Goto, M.
Deposit date:2021-06-18
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase.
Commun Biol, 5, 2022
1RD9
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BU of 1rd9 by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2
Descriptor: 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HEXAETHYLENE GLYCOL, ...
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-05
Release date:2004-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
4LYL
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BU of 4lyl by Molmil
Crystal structure of uracil-DNA glycosylase from cod (Gadus morhua) in complex with the proteinaceous inhibitor UGI
Descriptor: Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor
Authors:Assefa, N.G, Niiranen, L.M.K, Johnson, K.A, Leiros, H.-K.S, Smalas, A.O, Willassen, N.P, Moe, E.
Deposit date:2013-07-31
Release date:2014-08-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and biophysical analysis of interactions between cod and human uracil-DNA N-glycosylase (UNG) and UNG inhibitor (Ugi).
Acta Crystallogr.,Sect.D, 70, 2014
2HYQ
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BU of 2hyq by Molmil
Crystal structure of a complex of griffithsin with 6alpha-mannobiose
Descriptor: Griffithsin, SULFATE ION, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose
Authors:Ziolkowska, N.E, Wlodawer, A.
Deposit date:2006-08-07
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic, thermodynamic, and molecular modeling studies of the mode of binding of oligosaccharides to the potent antiviral protein griffithsin.
Proteins, 67, 2007
1BSQ
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BU of 1bsq by Molmil
STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF POINT MUTATIONS OF VARIANTS A AND B OF BOVINE BETA-LACTOGLOBULIN
Descriptor: PROTEIN (BETA-LACTOGLOBULIN)
Authors:Qin, B.Y, Creamer, L.K, Bewley, M.C, Baker, E.N, Jameson, G.B.
Deposit date:1998-08-29
Release date:1998-09-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Functional implications of structural differences between variants A and B of bovine beta-lactoglobulin.
Protein Sci., 8, 1999
3NG9
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BU of 3ng9 by Molmil
Structure to Function Correlations for Adeno-associated Virus Serotype 1
Descriptor: 6-AMINOPYRIMIDIN-2(1H)-ONE, ADENINE, Capsid protein
Authors:Govindasamy, L, Miller, E.B, Gurda, B, McKenna, R, Zolotukhin, S, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2010-06-11
Release date:2011-12-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure to Function Correlations for Adeno-Associated Virus serotype 1
To be Published
4M0R
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BU of 4m0r by Molmil
Trianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (AnPRT; TrpD).
Descriptor: 2,6-bis[(2-carboxyphenyl)amino]benzoic acid, Anthranilate phosphoribosyltransferase, DIMETHYL SULFOXIDE, ...
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-08-02
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis.
Chembiochem, 15, 2014
3T3Z
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BU of 3t3z by Molmil
Human Cytochrome P450 2E1 in complex with pilocarpine
Descriptor: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Meneely, K.M, DeVore, N.M, Scott, E.E.
Deposit date:2011-07-25
Release date:2011-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
5FFN
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BU of 5ffn by Molmil
Complex of subtilase SubTY from Bacillus sp. TY145 with chymotrypsin inhibitor CI2A
Descriptor: CALCIUM ION, Enzyme subtilase SubTY from Bacillus sp. TY145, SODIUM ION, ...
Authors:McAuley, K.E, Svendsen, A, Oestergaard, P.R, Dohnalek, J, Wilson, K.S.
Deposit date:2015-12-18
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family
Book, 2016
3NJO
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BU of 3njo by Molmil
X-ray crystal structure of the Pyr1-pyrabactin A complex
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYR1, CHLORIDE ION, ...
Authors:Burgie, E.S, Bingman, C.A, Phillips Jr, G.N, Peterson, F.C, Volkman, B.F, Cutler, S.R, Jensen, D.R, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-06-17
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:Structural basis for selective activation of ABA receptors.
Nat.Struct.Mol.Biol., 17, 2010
7JZJ
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BU of 7jzj by Molmil
Crystal structure demonstrating CTD-CTD interactions of Zaire Ebola virus VP40 dimer
Descriptor: Matrix protein VP40, PENTAETHYLENE GLYCOL
Authors:Norris, M.J, Bornholdt, Z.A, Saphire, E.O.
Deposit date:2020-09-02
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers.
Elife, 9, 2020
1W8H
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BU of 1w8h by Molmil
structure of pseudomonas aeruginosa lectin II (PA-IIL)complexed with lewisA trisaccharide
Descriptor: CALCIUM ION, GLYCEROL, PSEUDOMONAS AERUGINOSA LECTIN II, ...
Authors:Perret, S, Sabin, C, Dumon, C, Budova, M, Gautier, C, Galanina, O, Ilia, S, Bovin, N, Nicaise, M, Desmadril, M, Gilboa-Garber, N, Wimmerova, M, Mitchell, E.P, Imberty, A.
Deposit date:2004-09-21
Release date:2005-03-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for the Interaction between Human Milk Oligosaccharides and the Bacterial Lectin Pa-Iil of Pseudomonas Aeruginosa.
Biochem.J., 389, 2005
1BVJ
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BU of 1bvj by Molmil
HIV-1 RNA A-RICH HAIRPIN LOOP
Descriptor: RNA (5'-R(P*GP*GP*CP*GP*AP*CP*GP*GP*UP*GP*UP*AP*AP*AP*AP*AP*UP*CP*UP*CP*GP*CP* C)-3')
Authors:Puglisi, E.V, Puglisi, J.D.
Deposit date:1998-08-31
Release date:1998-12-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:HIV-1 A-rich RNA loop mimics the tRNA anticodon structure.
Nat.Struct.Biol., 5, 1998
5WPN
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BU of 5wpn by Molmil
Zn-bound Structure of Chaetopterus variopedatus Ferritin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:De Meulenaere, E, Bailey, J.B, Tezcan, F.A, Deheyn, D.
Deposit date:2017-08-05
Release date:2017-12-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:First biochemical and crystallographic characterization of a fast-performing ferritin from a marine invertebrate.
Biochem. J., 474, 2017
5T0O
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BU of 5t0o by Molmil
Crystal Structure of a membrane protein
Descriptor: CmeB
Authors:Su, C.-C, Yu, E.W.
Deposit date:2016-08-16
Release date:2017-09-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structures and transport dynamics of a Campylobacter jejuni multidrug efflux pump.
Nat Commun, 8, 2017
5FT6
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BU of 5ft6 by Molmil
Crystal structure of the cysteine desulfurase CsdA (S-sulfonic acid) from Escherichia coli at 2.050 Angstroem resolution
Descriptor: CYSTEINE DESULFURASE CSDA, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2016-01-11
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
7F4X
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BU of 7f4x by Molmil
Joint neutron and X-ray crystal structure of the nucleotide-binding domain of Hsp72 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ...
Authors:Yokoyama, T, Ostermann, A, Schrader, T.E.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022

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