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6AKO
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BU of 6ako by Molmil
Crystal Structure of FOXC2 DBD Bound to DBE2 DNA
Descriptor: DNA (5'-D(CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Forkhead box protein C2, ...
Authors:Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y.
Deposit date:2018-09-03
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
4ESA
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BU of 4esa by Molmil
X-ray structure of carbonmonoxy hemoglobin of Eleginops maclovinus
Descriptor: CARBON MONOXIDE, GLYCEROL, Hemoglobin alpha chain, ...
Authors:Merlino, A, Vitagliano, L, Mazzarella, L, Vergara, A.
Deposit date:2012-04-23
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:ATP regulation of the ligand-binding properties in temperate and cold-adapted haemoglobins. X-ray structure and ligand-binding kinetics in the sub-Antarctic fish Eleginops maclovinus.
Mol Biosyst, 8, 2012
5JS9
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BU of 5js9 by Molmil
Uncleaved prefusion optimized gp140 trimer with an engineered 8-residue HR1 turn bound to broadly neutralizing antibodies 8ANC195 and PGT128
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2016-05-07
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (6.918 Å)
Cite:Uncleaved prefusion-optimized gp140 trimers derived from analysis of HIV-1 envelope metastability.
Nat Commun, 7, 2016
5U4K
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BU of 5u4k by Molmil
NMR structure of the complex between the KIX domain of CBP and the transactivation domain 1 of p65
Descriptor: CREB-binding protein, Transcription factor p65
Authors:Lecoq, L, Raiola, L, Chabot, P.R, Cyr, N, Arseneault, G, Omichinski, J.G.
Deposit date:2016-12-05
Release date:2017-03-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kappa B and transcription regulatory factors.
Nucleic Acids Res., 45, 2017
5JOP
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BU of 5jop by Molmil
Crystal structure of anti-glycan antibody Fab14.22 in complex with Streptococcus pneumoniae serotype 14 tetrasaccharide at 1.75 A
Descriptor: Fab 14.22 light chain, Fab14.22 heavy chain, GLYCEROL, ...
Authors:Sarkar, A, Irimia, A, Teyton, L, Wilson, I.A.
Deposit date:2016-05-02
Release date:2017-03-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:T cells control the generation of nanomolar-affinity anti-glycan antibodies.
J. Clin. Invest., 127, 2017
5JSA
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BU of 5jsa by Molmil
Uncleaved prefusion optimized gp140 trimer with an engineered 10-residue HR1 turn bound to broadly neutralizing antibodies 8ANC195 and PGT128
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2016-05-07
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (6.308 Å)
Cite:Uncleaved prefusion-optimized gp140 trimers derived from analysis of HIV-1 envelope metastability.
Nat Commun, 7, 2016
8B7S
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BU of 8b7s by Molmil
Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp
Descriptor: Chloramphenicol-inactivating oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Zhang, L, Toplak, M, Saleem-Batcha, R, Hoeing, L, Jakob, R.P, Jehmlich, N, von Bergen, M, Maier, T, Teufel, R.
Deposit date:2022-10-03
Release date:2022-11-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol.
Chembiochem, 24, 2023
6AKP
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BU of 6akp by Molmil
Crystal Structural of FOXC2 DNA binding domain bound to PC promoter
Descriptor: DNA (5'-D(AP*CP*AP*CP*AP*AP*AP*TP*AP*TP*TP*TP*GP*TP*GP*T)-3'), Forkhead box protein C2, MAGNESIUM ION
Authors:Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y.
Deposit date:2018-09-03
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
5JXR
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BU of 5jxr by Molmil
Crystal structure of MtISWI
Descriptor: CHLORIDE ION, Chromatin-remodeling complex ATPase-like protein
Authors:Chen, Z, Yan, L.
Deposit date:2016-05-13
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Structure and regulation of the chromatin remodeller ISWI
Nature, 540, 2016
2VSR
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BU of 2vsr by Molmil
hPPARgamma Ligand binding domain in complex with 9-(S)-HODE
Descriptor: (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:Itoh, T, Fairall, L, Schwabe, J.W.R.
Deposit date:2008-04-29
Release date:2008-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
4DGX
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BU of 4dgx by Molmil
LEOPARD Syndrome-Associated SHP2/Y279C mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
Deposit date:2012-01-27
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
8B2T
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BU of 8b2t by Molmil
SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne
Descriptor: 3C-like proteinase nsp5, Nirmatrelvir (reacted form)
Authors:Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A.
Deposit date:2022-09-14
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine.
J.Med.Chem., 66, 2023
7OPT
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BU of 7opt by Molmil
Crystal structure of Trypanosoma cruzi peroxidase
Descriptor: Ascorbate peroxidase, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Freeman, S.L, Kwon, H, Skafar, V, Fielding, A.J, Martinez, A, Piacenza, L, Radi, R, Raven, E.L.
Deposit date:2021-06-01
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of Trypanosoma cruzi heme peroxidase and characterization of its substrate specificity and compound I intermediate.
J.Biol.Chem., 298, 2022
1LRT
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BU of 1lrt by Molmil
CRYSTAL STRUCTURE OF TERNARY COMPLEX OF TRITRICHOMONAS FOETUS INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE: STRUCTURAL CHARACTERIZATION OF NAD+ SITE IN MICROBIAL ENZYME
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, ...
Authors:Gan, L, Petsko, G.A, Hedstrom, L.
Deposit date:2002-05-15
Release date:2003-07-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a ternary complex of Tritrichomonas foetus inosine 5'-monophosphate dehydrogenase: NAD+ orients the active site loop for catalysis
Biochemistry, 41, 2003
2WTY
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BU of 2wty by Molmil
Crystal structure of the homodimeric MafB in complex with the T-MARE binding site
Descriptor: DNA (5'-D(*TP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP *GP*CP*AP*AP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*TP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP *GP*CP*AP*AP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Consani Textor, L, Holton, S, Wilmanns, M.
Deposit date:2009-09-25
Release date:2010-12-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design of a bZIP Transcription Factor with Homo/Heterodimer-Induced DNA-Binding Preference.
Structure, 22, 2014
7OQR
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BU of 7oqr by Molmil
Crystal structure of Trypanosoma cruzi peroxidase
Descriptor: ACETATE ION, Ascorbate peroxidase, GLYCEROL, ...
Authors:Freeman, S.L, Kwon, H, Skafar, V, Fielding, A.J, Martinez, A, Piacenza, L, Radi, R, Raven, E.L.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of Trypanosoma cruzi heme peroxidase and characterization of its substrate specificity and compound I intermediate.
J.Biol.Chem., 298, 2022
2VV1
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BU of 2vv1 by Molmil
hPPARgamma Ligand binding domain in complex with 4-HDHA
Descriptor: (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:Itoh, T, Fairall, L, Schwabe, J.W.R.
Deposit date:2008-06-02
Release date:2008-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
6XX8
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BU of 6xx8 by Molmil
Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal form II
Descriptor: Casein kinase II subunit alpha-1
Authors:Demulder, M, De Veylder, L, Loris, R.
Deposit date:2020-01-27
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.
Acta Crystallogr.,Sect.F, 76, 2020
6XX6
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BU of 6xx6 by Molmil
Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal form I
Descriptor: CHLORIDE ION, Casein kinase II subunit alpha-1, PIVALIC ACID, ...
Authors:Demulder, M, De Veylder, L, Loris, R.
Deposit date:2020-01-27
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84919691 Å)
Cite:Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.
Acta Crystallogr.,Sect.F, 76, 2020
5JHG
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BU of 5jhg by Molmil
Crystal structure of the complex between the human RhoA and the DH/PH domain of human ARHGEF11
Descriptor: GLYCEROL, Rho guanine nucleotide exchange factor 11, Transforming protein RhoA
Authors:Wang, R, Chen, Q, Zhang, H, Yan, Z, Li, J, Miao, L, Wang, F.
Deposit date:2016-04-21
Release date:2017-04-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and ARHGEF11
To Be Published
1YMU
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BU of 1ymu by Molmil
SIGNAL TRANSDUCTION PROTEIN CHEY MUTANT WITH MET 17 REPLACED BY GLY (M17G)
Descriptor: CHEY
Authors:Bellsolell, L, Coll, M.
Deposit date:1995-12-14
Release date:1996-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The three-dimensional structure of two mutants of the signal transduction protein CheY suggest its molecular activation mechanism.
J.Mol.Biol., 257, 1996
1YMV
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BU of 1ymv by Molmil
SIGNAL TRANSDUCTION PROTEIN CHEY MUTANT WITH PHE 14 REPLACED BY GLY, SER 15 REPLACED BY GLY, AND MET 17 REPLACED BY GLY
Descriptor: CHEY, MAGNESIUM ION
Authors:Bellsolell, L, Coll, M.
Deposit date:1995-12-14
Release date:1996-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The three-dimensional structure of two mutants of the signal transduction protein CheY suggest its molecular activation mechanism.
J.Mol.Biol., 257, 1996
2XB8
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BU of 2xb8 by Molmil
Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid
Descriptor: (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ...
Authors:Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2010-04-08
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids.
Chemmedchem, 5, 2010
4J6I
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BU of 4j6i by Molmil
Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform
Descriptor: 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Rouge, L, Wu, P.
Deposit date:2013-02-11
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform.
Bioorg.Med.Chem.Lett., 23, 2013
6F93
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BU of 6f93 by Molmil
Helicobacter pylori serine hydroxymethyl transferase in apo form
Descriptor: Serine hydroxymethyltransferase
Authors:Sodolescu, A, Dian, C, Terradot, L, Bouzhir-Sima, L, Lestini, R, Myllykallio, H, Skouloubris, S, Liebl, U.
Deposit date:2017-12-13
Release date:2018-12-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional insight into serine hydroxymethyltransferase from Helicobacter pylori.
PLoS ONE, 13, 2018

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