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4KRR
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Crystal structure of Drosophila WntD N-terminal domain-linker (residues 31-240)
Descriptor: GLYCEROL, SODIUM ION, Wnt inhibitor of Dorsal protein
Authors:Chu, M.L.-H, Choi, H.-J, Ahn, V.E, Daniels, D.L, Nusse, R, Weis, W.I.
Deposit date:2013-05-16
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.124 Å)
Cite:Structural Studies of Wnts and Identification of an LRP6 Binding Site.
Structure, 21, 2013
4OMP
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BU of 4omp by Molmil
Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant Q128K
Descriptor: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-01-27
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation.
Plos One, 9, 2014
3UVD
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BU of 3uvd by Molmil
Crystal Structure of the bromodomain of human Transcription activator BRG1 (SMARCA4) in complex with N-Methyl-2-pyrrolidone
Descriptor: 1-methylpyrrolidin-2-one, Transcription activator BRG1
Authors:Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-11-29
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
4ONE
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BU of 4one by Molmil
Crystal Structure of a 3-oxoacyl-[acyl-carrier protein] reductase from Brucella melitensis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-oxoacyl-(Acyl-carrier protein) reductase, CHLORIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-01-28
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of a 3-oxoacyl-[acyl-carrier protein] reductase from Brucella melitensis
To be Published
3V2I
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BU of 3v2i by Molmil
Structure of a Peptidyl-tRNA hydrolase (PTH) from Burkholderia thailandensis
Descriptor: CITRIC ACID, Peptidyl-tRNA hydrolase, UNKNOWN LIGAND
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-12
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4DCQ
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BU of 4dcq by Molmil
Crystal Structure of the Fab Fragment of 3B5H10, an Antibody-Specific for Extended Polyglutamine Repeats (orthorhombic form)
Descriptor: 1,2-ETHANEDIOL, 3B5H10 FAB Heavy Chain, 3B5H10 FAB Light Chain
Authors:Peters-Libeu, C.A, Tran, T, Finkbeiner, S, Weisgraber, K.
Deposit date:2012-01-18
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure.
J.Mol.Biol., 421, 2012
3UVR
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BU of 3uvr by Molmil
Human p38 MAP Kinase in Complex with KM064
Descriptor: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:

3UW2
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BU of 3uw2 by Molmil
X-ray Crystal Structure of Phosphoglucomutase/phosphomannomutase family protein (BTH_I1489)from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-30
Release date:2012-02-01
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4OBH
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BU of 4obh by Molmil
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
3UZU
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BU of 3uzu by Molmil
The structure of the Ribosomal RNA small subunit methyltransferase A from Burkholderia pseudomallei
Descriptor: 1,2-ETHANEDIOL, Ribosomal RNA small subunit methyltransferase A
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-07
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of the Ribosomal RNA small subunit methyltransferase A from Burkholderia pseudomallei
TO BE PUBLISHED
3V0Q
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BU of 3v0q by Molmil
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with UDP and H-antigen acceptor
Descriptor: GLYCEROL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Palcic, M.M, Jorgensen, R.
Deposit date:2011-12-08
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Base-modified Donor Analogues Reveal Novel Dynamic Features of a Glycosyltransferase.
J.Biol.Chem., 288, 2013
4OCY
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BU of 4ocy by Molmil
Fab for methotrexate (unbound apo)
Descriptor: Fab ADD058 Heavy Chain, Fab ADD058 Light Chain
Authors:Longenecker, K.L, Judge, R.A, Gayda, S, Manoj, S, Saldana, S, Ruan, Q, Swift, K, Tetin, S.
Deposit date:2014-01-09
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Water channel in the binding site of a high affinity anti-methotrexate antibody.
Biochemistry, 53, 2014
4OEX
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BU of 4oex by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Descriptor: 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Chen, T.T, Ren, J, Xu, Y.C.
Deposit date:2014-01-14
Release date:2015-04-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
4OFX
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BU of 4ofx by Molmil
Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii
Descriptor: Cystathionine beta-synthase, SODIUM ION
Authors:Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-15
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii
To be Published
4OJ4
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BU of 4oj4 by Molmil
Crystal structure of V290M PPARgamma mutant in complex with diclofenac
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CALCIUM ION, Peroxisome proliferator-activated receptor gamma
Authors:Puhl, A.C, Webb, P, Polikarpov, I.
Deposit date:2014-01-20
Release date:2015-02-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a PPAR ligand-resistance syndrome mutant
To be Published
3UZW
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BU of 3uzw by Molmil
Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+
Descriptor: 3-oxo-5-beta-steroid 4-dehydrogenase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, M, Christianson, D.W, Penning, T.M.
Deposit date:2011-12-07
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING.
J.Biol.Chem., 287, 2012
4OJF
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BU of 4ojf by Molmil
Humanised 3D6 Fab complexed to amyloid beta 1-8
Descriptor: Amyloid beta A4 protein, Humanised 3D6 Fab Heavy Chain, Humanised 3D6 Fab Light Chain
Authors:Miles, L.A, Crespi, G.A.N, Parker, M.W.
Deposit date:2014-01-21
Release date:2015-01-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystallization and preliminary X-ray diffraction analysis of the Fab portion of the Alzheimer's disease immunotherapy candidate bapineuzumab complexed with amyloid-beta
ACTA CRYSTALLOGR.,SECT.F, 70, 2014
3UNV
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BU of 3unv by Molmil
Pantoea agglomerans Phenylalanine Aminomutase
Descriptor: (3S)-3-amino-3-phenylpropanoic acid, 1,2-ETHANEDIOL, AdmH, ...
Authors:Geiger, J, Strom, S.
Deposit date:2011-11-16
Release date:2012-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Insights into the mechanistic pathway of the Pantoea agglomerans phenylalanine aminomutase.
Angew.Chem.Int.Ed.Engl., 51, 2012
3V2L
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BU of 3v2l by Molmil
Structure of Anopheles gambiae odorant binding protein 20 bound to polyethylene glycol
Descriptor: AGAP005208-PA, TETRAETHYLENE GLYCOL
Authors:Ziemba, B.P, Jones, D.N.
Deposit date:2011-12-12
Release date:2012-10-17
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel mechanism of ligand binding and release in the odorant binding protein 20 from the malaria mosquito Anopheles gambiae.
Protein Sci., 22, 2013
3V2O
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BU of 3v2o by Molmil
Crystal Structure of the Peptide Bound Complex of the Ankyrin Repeat Domains of Human ANKRA2
Descriptor: Ankyrin repeat family A protein 2, Low-density lipoprotein receptor-related protein 2
Authors:Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-12-12
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
3V31
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BU of 3v31 by Molmil
Crystal Structure of the Peptide Bound Complex of the Ankyrin Repeat Domains of Human ANKRA2
Descriptor: Ankyrin repeat family A protein 2, CHLORIDE ION, Histone deacetylase 4, ...
Authors:Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-12-12
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
4ONV
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BU of 4onv by Molmil
Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate
Descriptor: 1,2-ETHANEDIOL, 2-KETO-3-DEOXYGLUCONATE, GLYCEROL, ...
Authors:Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S.
Deposit date:2014-01-29
Release date:2015-01-14
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate
To be Published
4O8K
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BU of 4o8k by Molmil
Crystal structure of Type III pantothenate kinase from Burkholderia thailandensis, apo structure
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-28
Release date:2014-01-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Type III pantothenate kinase from Burkholderia thailandensis, apo structure
To be Published
4OP7
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BU of 4op7 by Molmil
Crystal structure of P domain from norovirus strain NSW0514 in complex with HBGA type B (triglycan)
Descriptor: IMIDAZOLE, VP1, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-02-05
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
4OBC
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BU of 4obc by Molmil
Crystal structure of HCV polymerase NS5b genotype 2a JFH-1 isolate with the S15G, C223H, V321I resistance mutations against the guanosine analog GS-0938 (PSI-3529238)
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Edwards, T.E, Abendroth, J, Appleby, T.C.
Deposit date:2014-01-07
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular and Structural Basis for the Roles of Hepatitis C Virus Polymerase NS5B Amino Acids 15, 223, and 321 in Viral Replication and Drug Resistance.
Antimicrob.Agents Chemother., 58, 2014

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