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4QIP
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BU of 4qip by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 isoform a in complex with Sodium Dodecyl Sulfate
Descriptor: DODECYL SULFATE, Major pollen allergen Bet v 1-A, SULFATE ION
Authors:Freier, R.A, Kofler, S.G, Brandstetter, H.
Deposit date:2014-06-01
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand binding modulates the structural dynamics and compactness of the major birch pollen allergen
Biophys.J., 107, 2014
5B1N
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BU of 5b1n by Molmil
DHp domain structure of EnvZ from Escherichia coli
Descriptor: Osmolarity sensor protein EnvZ
Authors:Okajima, T, Eguchi, Y, Tochio, N, Inukai, Y, Shimizu, R, Ueda, S, Shinya, S, Kigawa, T, Fukamizo, T, Igarashi, M, Utsumi, R.
Deposit date:2015-12-09
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Angucycline antibiotic waldiomycin recognizes common structural motif conserved in bacterial histidine kinases
J. Antibiot., 70, 2017
4QI0
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BU of 4qi0 by Molmil
X-ray structure of the ROQ domain from murine Roquin-1
Descriptor: 1,2-ETHANEDIOL, Roquin-1
Authors:Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
Deposit date:2014-05-30
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation.
Nat.Struct.Mol.Biol., 21, 2014
4BMJ
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BU of 4bmj by Molmil
Structure of the UBZ1and2 tandem of the ubiquitin-binding adaptor protein TAX1BP1
Descriptor: CHLORIDE ION, TAX1-BINDING PROTEIN 1, ZINC ION
Authors:Ceregido, M.A, Spinola-Amilibia, M, Buts, L, Rivera, J, Bravo, J, van Nuland, N.A.J.
Deposit date:2013-05-09
Release date:2013-11-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Structure of Tax1BP1 Ubz1 + 2 Provides Insight Into Target Specificity and Adaptability
J.Mol.Biol., 426, 2014
3Q7Z
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BU of 3q7z by Molmil
CBAP-acylated BlaR1 sensor domain from Staphylococcus aureus
Descriptor: (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase regulatory protein BlaR1
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-06
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3QBC
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BU of 3qbc by Molmil
Structure and design of a new pterin site inhibitor of S. aureus HPPK
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one
Authors:Peat, T.S, Chhabra, S, Swarbrick, J.D.
Deposit date:2011-01-12
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of S. aureus HPPK and the discovery of a new substrate site inhibitor
Plos One, 7, 2012
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
Descriptor: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
Authors:Park, C.H.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
4R0O
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BU of 4r0o by Molmil
Crystal structure of PEGylated plastocyanin at 4.2 A resolution
Descriptor: 1-methylpyrrolidine-2,5-dione, COPPER (II) ION, Plastocyanin
Authors:Cattani, G, Vogeley, L, Crowley, P.B.
Deposit date:2014-08-01
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structure of a PEGylated protein reveals a highly porous double-helical assembly.
NAT.CHEM., 7, 2015
5CGB
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BU of 5cgb by Molmil
Crystal structure of FimH in complex with heptyl alpha-D-septanoside
Descriptor: (6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol, Protein FimH, SULFATE ION
Authors:Jakob, R.P, Preston, R.P, Zihlmann, P, Fiege, B, Sager, C.P, Vannam, R, Rabbani, S, Zalewski, A, Maier, T, Ernst, B, Peczuh, M.
Deposit date:2015-07-09
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The price of flexibility - a case study on septanoses as pyranose mimetics.
Chem Sci, 9, 2018
4QVK
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BU of 4qvk by Molmil
Apo-crystal structure of Podospora anserina methyltransferase PaMTH1
Descriptor: 1,2-ETHANEDIOL, PaMTH1 Methyltransferase
Authors:Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H.
Deposit date:2014-07-15
Release date:2015-05-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
4QXT
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BU of 4qxt by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with FC27-MSP2 14-30
Descriptor: Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2
Authors:Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S.
Deposit date:2014-07-22
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
4R4L
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BU of 4r4l by Molmil
Crystal structure of wt cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper
Descriptor: HEXANE-1,6-DIOL, SULFATE ION, cGMP-dependent protein kinase 1
Authors:Reger, A.S, Guo, E, Yang, M.P, Qin, L, Kim, C.
Deposit date:2014-08-19
Release date:2015-09-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability.
Biochemistry, 54, 2015
5CP9
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BU of 5cp9 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with MB605
Descriptor: 1,2-ETHANEDIOL, 3-(furan-2-yl)propanoic acid, Hepatocyte growth factor
Authors:Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
Deposit date:2015-07-21
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
4RAV
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BU of 4rav by Molmil
Crystal structure of scFvC4 in complex with the first 17 AA of huntingtin
Descriptor: Huntingtin, SULFATE ION, Single-chain Fv, ...
Authors:De Genst, E, Chirgadze, D.Y, Dobson, C.M.
Deposit date:2014-09-11
Release date:2015-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a single-chain fv bound to the 17 N-terminal residues of huntingtin provides insights into pathogenic amyloid formation and suppression.
J.Mol.Biol., 427, 2015
4QQB
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BU of 4qqb by Molmil
Structural basis for the assembly of the SXL-UNR translation regulatory complex
Descriptor: Protein sex-lethal, Upstream of N-ras, isoform A, ...
Authors:Hennig, J, Popowicz, G.M, Sattler, M.
Deposit date:2014-06-27
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the assembly of the Sxl-Unr translation regulatory complex.
Nature, 515, 2014
4TQG
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BU of 4tqg by Molmil
Crystal structure of Megavirus UDP-GlcNAc 4,6-dehydratase, 5-epimerase Mg534
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative dTDP-d-glucose 4 6-dehydratase
Authors:Jeudy, S, Piacente, F, De Castro, C, Molinaro, A, Salis, A, Damonte, G, Bernardi, C, Tonetti, M, Claverie, J.M, Abergel, C.
Deposit date:2014-06-11
Release date:2014-06-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Giant Virus Megavirus chilensis Encodes the Biosynthetic Pathway for Uncommon Acetamido Sugars.
J.Biol.Chem., 289, 2014
3RNM
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BU of 3rnm by Molmil
The crystal structure of the subunit binding of human dihydrolipoamide transacylase (E2b) bound to human dihydrolipoamide dehydrogenase (E3)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, BETA-MERCAPTOETHANOL, Dihydrolipoyl dehydrogenase, ...
Authors:Brautigam, C.A, Wynn, R.M, Chuang, J.C, Young, B.B, Chuang, D.T.
Deposit date:2011-04-22
Release date:2011-05-04
Last modified:2011-07-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Thermodynamic Basis for Weak Interactions between Dihydrolipoamide Dehydrogenase and Subunit-binding Domain of the Branched-chain {alpha}-Ketoacid Dehydrogenase Complex.
J.Biol.Chem., 286, 2011
5E6C
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BU of 5e6c by Molmil
Glucocorticoid receptor DNA binding domain - CCL2 NF-kB response element complex
Descriptor: DNA (5'-D(*AP*GP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*CP*T)-3'), DNA (5'-D(*AP*GP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*CP*T)-3'), Glucocorticoid receptor, ...
Authors:Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
Deposit date:2015-10-09
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
4RMW
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BU of 4rmw by Molmil
Crystal structure of the D76A Beta-2 Microglobulin mutant
Descriptor: ACETATE ION, Beta-2-microglobulin, TRIETHYLENE GLYCOL
Authors:de Rosa, M, Bolognesi, M, Ricagno, S.
Deposit date:2014-10-22
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
5DZ5
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BU of 5dz5 by Molmil
Crystal structure of Dendroaspis polylepis mambalgin-1 wild-type in P41212 space group
Descriptor: Mambalgin-1
Authors:Stura, E.A, Tepshi, L, Mourier, G, Kessler, P, Servent, D.
Deposit date:2015-09-25
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
5E69
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BU of 5e69 by Molmil
Glucocorticoid receptor DNA binding domain - IL8 NF-kB response element complex
Descriptor: DNA (5'-D(*AP*TP*CP*GP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*CP*GP*AP*T)-3'), Glucocorticoid receptor, ...
Authors:Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
Deposit date:2015-10-09
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
5E6D
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BU of 5e6d by Molmil
Glucocorticoid receptor DNA binding domain - ICAM1 NF-kB response element complex
Descriptor: DNA (5'-D(*GP*CP*TP*CP*CP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*GP*GP*AP*GP*C)-3'), Glucocorticoid receptor, ...
Authors:Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
Deposit date:2015-10-09
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
4RL2
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BU of 4rl2 by Molmil
Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
Descriptor: (1R)-2-({(R)-carboxy[(2R,5S)-4-carboxy-5-methyl-5,6-dihydro-2H-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium, Beta-lactamase NDM-1, ZINC ION
Authors:Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W.
Deposit date:2014-10-15
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
4RM5
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BU of 4rm5 by Molmil
Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
Descriptor: Beta-lactamase NDM-1, ZINC ION
Authors:Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W.
Deposit date:2014-10-19
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
5DUN
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BU of 5dun by Molmil
The crystal structure of OMe substituted twister ribozyme
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (54-MER)
Authors:Ren, A, Patel, D.J, Micura, R, Rajashankar, K.R.
Deposit date:2015-09-19
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:A Mini-Twister Variant and Impact of Residues/Cations on the Phosphodiester Cleavage of this Ribozyme Class.
Angew.Chem.Int.Ed.Engl., 54, 2015

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数据于2024-08-14公开中

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