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8CJH
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Architecture of a PKS-NRPS hybrid megaenzyme involved in the biosynthesis of the genotoxin colibactin
Descriptor: Colibactin hybrid non-ribosomal peptide synthetase/type I polyketide synthase ClbK
Authors:Bonhomme, S, Dessen, A, Macheboeuf, P.
Deposit date:2023-02-13
Release date:2023-04-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.982 Å)
Cite:Architecture of a PKS-NRPS hybrid megaenzyme involved in the biosynthesis of the genotoxin colibactin.
Structure, 31, 2023
4KR0
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BU of 4kr0 by Molmil
Complex structure of MERS-CoV spike RBD bound to CD26
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Zhang, B, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2013-05-15
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26.
Nature, 500, 2013
4K1Y
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BU of 4k1y by Molmil
Crystal structure of Canavalia boliviana lectin in complex with Man1-3Man-OMe
Descriptor: CADMIUM ION, CALCIUM ION, Canavalia boliviana lectin, ...
Authors:Bezerra, G.A, Viertlmayr, R, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K.
Deposit date:2013-04-07
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
4KK1
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BU of 4kk1 by Molmil
Crystal Structure of TSC1 core domain from S. pombe
Descriptor: Tuberous sclerosis 1 protein homolog
Authors:Sun, W, Zhu, Y, Wang, Z.Z, Zhong, Q, Gao, F, Lou, J.Z, Gong, W.M, Xu, W.Q.
Deposit date:2013-05-05
Release date:2013-07-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the yeast TSC1 core domain and implications for tuberous sclerosis pathological mutations.
Nat Commun, 4, 2013
4K51
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BU of 4k51 by Molmil
Crystal Structure of the PCI domain of eIF3a
Descriptor: Eukaryotic translation initiation factor 3 subunit A
Authors:Khoshnevis, S, Neumann, P, Ficner, R.
Deposit date:2013-04-12
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural integrity of the PCI domain of eIF3a/TIF32 is required for mRNA recruitment to the 43S pre-initiation complexes.
Nucleic Acids Res., 42, 2014
4K5J
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BU of 4k5j by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (S)-1,3-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-butan-4-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-04-14
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4K70
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BU of 4k70 by Molmil
Crystal Structure of N-terminal half of Pseudorabiesvirus UL37 protein
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Pitts, J.D, Heldwein, E.E.
Deposit date:2013-04-16
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Herpesvirus Inner Tegument Protein UL37 Supports Its Essential Role in Control of Viral Trafficking.
J.Virol., 88, 2014
4KT2
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BU of 4kt2 by Molmil
Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol
Descriptor: CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
Deposit date:2013-05-19
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol
To be Published
4K0A
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BU of 4k0a by Molmil
Crystal structure of CD4-mimetic miniprotein M48U7 in complex with HIV-1 YU2 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD4-MIMETIC MINIPROTEIN M48U7, CITRATE ANION, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2013-04-03
Release date:2013-06-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis for Highly Effective HIV-1 Neutralization by CD4-Mimetic Miniproteins Revealed by 1.5 A Cocrystal Structure of gp120 and M48U1.
Structure, 21, 2013
4K2S
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BU of 4k2s by Molmil
Crystal structure of the mutant P317A of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and d-gluconate
Descriptor: CHLORIDE ION, D-gluconic acid, D-mannonate dehydratase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
Deposit date:2013-04-09
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystal structure of the mutant P317A of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and d-gluconate
To be Published
4K7L
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BU of 4k7l by Molmil
Crystal structure of RNase S variant (K7C/Q11C)
Descriptor: Ribonuclease pancreatic, SULFATE ION
Authors:Genz, M, Straeter, N.
Deposit date:2013-04-17
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure of RNase S with a [Hg(Cys2)] metal center in the S-peptide as a template for structure-based design of artificial metalloenzymes using peptide-protein complementation
To be Published
4KMG
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BU of 4kmg by Molmil
Crystal structure of cytochrome c6B from Synechococcus sp. WH8102
Descriptor: Cytochrome C6 (Soluble cytochrome F) (Cytochrome c553), HEME C, SODIUM ION
Authors:Zatwarnicki, P, Krzywda, S, Barciszewski, J, Jaskolski, M, Szczepaniak, A.
Deposit date:2013-05-08
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cytochrome c6B of Synechococcus sp. WH 8102 - Crystal structure and basic properties of novel c6-like family representative.
Biochem.Biophys.Res.Commun., 443, 2014
4KBM
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BU of 4kbm by Molmil
Structure of the Mtb CarD/RNAP Beta subunit B1-B2 domains complex
Descriptor: DNA-directed RNA polymerase subunit beta, RNA polymerase-binding transcription factor CarD
Authors:Gulten, G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-04-23
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1146 Å)
Cite:Structure of the Mtb CarD/RNAP beta-Lobes Complex Reveals the Molecular Basis of Interaction and Presents a Distinct DNA-Binding Domain for Mtb CarD.
Structure, 21, 2013
4KR3
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BU of 4kr3 by Molmil
Glycyl-tRNA synthetase mutant E71G in complex with tRNA-Gly
Descriptor: GLYCINE, Gly-tRNA-CCC, Glycine--tRNA ligase, ...
Authors:Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W.
Deposit date:2013-05-16
Release date:2014-05-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.235 Å)
Cite:Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014
4KTK
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BU of 4ktk by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl)benzene-1,3-diol
Descriptor: 4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hudson, S.A.
Deposit date:2013-05-20
Release date:2013-07-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.
Chemmedchem, 8, 2013
4K9D
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BU of 4k9d by Molmil
X-ray crystal structure of a Glyceraldehyde 3-phosphate dehydrogenase from Brugia malayi bound to the co-factor NAD
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-04-19
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of a Glyceraldehyde 3-phosphate dehydrogenase from Brugia malayi bound to the co-factor NAD
TO BE PUBLISHED
4KR2
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BU of 4kr2 by Molmil
Glycyl-tRNA synthetase in complex with tRNA-Gly
Descriptor: ADENOSINE MONOPHOSPHATE, Gly-tRNA-CCC, Glycine--tRNA ligase
Authors:Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W.
Deposit date:2013-05-16
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.292 Å)
Cite:Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014
4K4H
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BU of 4k4h by Molmil
Ternary crystal structures of a human DNA POLYMERASE LAMBDA IN COMPLEX WITH DNA AND (-)3TC-TP.
Descriptor: ACETATE ION, CALCIUM ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ...
Authors:Vyas, R, Suo, Z.
Deposit date:2013-04-12
Release date:2014-07-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the binding and incorporation of nucleotide analogs with L-stereochemistry by human DNA polymerase lambda.
Proc.Natl.Acad.Sci.USA, 111, 2014
4K79
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BU of 4k79 by Molmil
Recognition of the Thomsen-Friedenreich Antigen by a Lamprey Variable Lymphocyte Receptor
Descriptor: Variable lymphocyte receptor, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A.
Deposit date:2013-04-16
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
4K9J
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BU of 4k9j by Molmil
Structure of Re(CO)3(4,7-dimethyl-phen)(Thr126His)(Lys122Trp)(His83Glu)(Trp48Phe)(Tyr72Phe)(Tyr108Phe)AzCu(II), a Rhenium modified Azurin mutant
Descriptor: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
Authors:Takematsu, K, Williamson, H.R, Blanco-Rodriguez, A.M, Sokolova, L, Nikolovski, P, Kaiser, J.T, Towrie, M, Clark, I.P, Vlcek Jr, A, Winkler, J.R, Gray, H.B.
Deposit date:2013-04-20
Release date:2013-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Tryptophan-accelerated electron flow across a protein-protein interface.
J.Am.Chem.Soc., 135, 2013
4KR6
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BU of 4kr6 by Molmil
Crystal structure of a 4-thiouridine synthetase - RNA complex
Descriptor: MERCURY (II) ION, Probable tRNA sulfurtransferase, RNA (39-MER)
Authors:Neumann, P, Ficner, R, Lakomek, K.
Deposit date:2013-05-16
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Nucleic Acids Res., 42, 2014
4K2A
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BU of 4k2a by Molmil
Crystal structure of haloalkane dehalogenase DbeA from Bradyrhizobium elkani USDA94
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase
Authors:Prudnikova, T, Chaloupkova, R, Rezacova, P, Mozga, T, Koudelakova, T, Sato, Y, Kuty, M, Nagata, Y, Damborsky, J, Kuta Smatanova, I, Structure 2 Function Project (S2F)
Deposit date:2013-04-08
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional analysis of a novel haloalkane dehalogenase with two halide-binding sites.
Acta Crystallogr.,Sect.D, 70, 2014
4KOD
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BU of 4kod by Molmil
Structure of p97 N-D1 R155H mutant in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Xia, D, Tang, W.K.
Deposit date:2013-05-11
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Altered Intersubunit Communication Is the Molecular Basis for Functional Defects of Pathogenic p97 Mutants.
J.Biol.Chem., 288, 2013
4KSP
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BU of 4ksp by Molmil
Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632
Descriptor: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Masanori, O.
Deposit date:2013-05-17
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
4K22
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BU of 4k22 by Molmil
Structure of the C-terminal truncated form of E.Coli C5-hydroxylase UBII involved in ubiquinone (Q8) biosynthesis
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Pecqueur, L, Lombard, M, Golinelli-pimpaneau, B, Fontecave, M.
Deposit date:2013-04-07
Release date:2013-05-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:ubiI, a New Gene in Escherichia coli Coenzyme Q Biosynthesis, Is Involved in Aerobic C5-hydroxylation.
J.Biol.Chem., 288, 2013

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