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4K4C
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BU of 4k4c by Molmil
X-ray crystal structure of E. coli YbdB complexed with phenacyl-CoA
Descriptor: Proofreading thioesterase EntH, phenacyl coenzyme A
Authors:Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2013-04-12
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
2OGJ
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BU of 2ogj by Molmil
Crystal structure of a dihydroorotase
Descriptor: Dihydroorotase, IMIDAZOLE, ZINC ION
Authors:Sugadev, R, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-01-05
Release date:2007-02-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal structure of a dihydroorotase
To be Published
1G3J
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BU of 1g3j by Molmil
CRYSTAL STRUCTURE OF THE XTCF3-CBD/BETA-CATENIN ARMADILLO REPEAT COMPLEX
Descriptor: BETA-CATENIN ARMADILLO REPEAT REGION, TCF3-CBD (CATENIN BINDING DOMAIN)
Authors:Graham, T.A, Weaver, C, Mao, F, Kimelman, D, Xu, W.
Deposit date:2000-10-24
Release date:2000-12-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a beta-catenin/Tcf complex.
Cell(Cambridge,Mass.), 103, 2000
1G7G
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BU of 1g7g by Molmil
HUMAN PTP1B CATALYTIC DOMAIN COMPLEXES WITH PNU179326
Descriptor: 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1
Authors:Bleasdale, J.E, Ogg, D, Larsen, S.D.
Deposit date:2000-11-10
Release date:2001-06-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small molecule peptidomimetics containing a novel phosphotyrosine bioisostere inhibit protein tyrosine phosphatase 1B and augment insulin action.
Biochemistry, 40, 2001
2NRA
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BU of 2nra by Molmil
Crystal structure of Pi initiator protein in complex with iteron DNA
Descriptor: 5'-D(*GP*AP*AP*CP*AP*TP*GP*AP*GP*AP*GP*CP*TP*TP*AP*GP*TP*AP*CP*GP*TP*CP*T)-3', 5'-D(*GP*AP*CP*GP*TP*AP*CP*TP*AP*AP*GP*CP*TP*CP*TP*CP*AP*TP*GP*TP*TP*CP*T)-3', PI protein
Authors:Swan, M.K, Bastia, D, Davies, C.
Deposit date:2006-11-01
Release date:2006-11-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of pi initiator protein-iteron complex of plasmid R6K: implications for initiation of plasmid DNA replication.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3DTD
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BU of 3dtd by Molmil
Crystal structure of invasion associated protein b from bartonella henselae
Descriptor: GLYCEROL, Invasion-associated protein B
Authors:Patskovsky, Y, Ozyurt, S, Freeman, J, Slocombe, A, Groshong, C, Koss, J, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-07-14
Release date:2008-09-09
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of Invasion Associated Protein B from Bartonella Henselae.
To be Published
3IZG
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BU of 3izg by Molmil
Bacteriophage T7 prohead shell EM-derived atomic model
Descriptor: Major capsid protein 10A
Authors:Ionel, A, Velazquez-Muriel, J.A, Agirrezabala, X, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L.
Deposit date:2010-10-27
Release date:2010-11-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (10.9 Å)
Cite:Molecular rearrangements involved in the capsid shell maturation of bacteriophage T7.
J.Biol.Chem., 286, 2011
1G7K
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BU of 1g7k by Molmil
CRYSTAL STRUCTURE OF DSRED, A RED FLUORESCENT PROTEIN FROM DISCOSOMA SP. RED
Descriptor: FLUORESCENT PROTEIN FP583
Authors:Yarbrough, D, Wachter, R.M, Kallio, K, Matz, M.V, Remington, S.J.
Deposit date:2000-11-10
Release date:2000-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined crystal structure of DsRed, a red fluorescent protein from coral, at 2.0-A resolution.
Proc.Natl.Acad.Sci.USA, 98, 2001
1GA9
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BU of 1ga9 by Molmil
CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID)
Descriptor: 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID, BETA-LACTAMASE, PHOSPHATE ION, ...
Authors:Tondi, D, Powers, R.A, Caselli, E, Negri, M.C, Blazquez, J, Costi, M.P, Shoichet, B.K.
Deposit date:2000-11-29
Release date:2001-07-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase.
Chem.Biol., 8, 2001
3DL3
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BU of 3dl3 by Molmil
Crystal structure of the tellurite resistance protein TehB. Northeast Structural Genomics Consortium target VfR98 .
Descriptor: Tellurite resistance protein B
Authors:Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Mao, L, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-26
Release date:2008-08-26
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the tellurite resistance protein TehB. Northeast Structural Genomics Consortium target VfR98.
To be Published
2NWT
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BU of 2nwt by Molmil
NMR Structure of Protein UPF0165 protein AF_2212 from Archaeoglobus Fulgidus; Northeast Structural Genomics Consortium Target GR83
Descriptor: UPF0165 protein AF_2212
Authors:Singarapu, K.K, Sukumaran, D.K, Parish, D, Atreya, H.S, Liu, G, Eletsky, A, Chen, C.X, Jiang, M, Cunningham, K, Xiao, R, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-11-16
Release date:2007-01-30
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR Structure of Protein Y2212_ARCFU from Archaeoglobus Fulgidus; Northeast Structural Genomics Consortium Target GR83
To be Published
2NY2
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BU of 2ny2 by Molmil
HIV-1 gp120 Envelope Glycoprotein (T123C, T257S, S334A, S375W, G431C) Complexed with CD4 and Antibody 17b
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, ...
Authors:Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
Deposit date:2006-11-20
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
2NZI
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BU of 2nzi by Molmil
Crystal structure of domains A168-A170 from titin
Descriptor: Titin
Authors:Mrosek, M.C, Labeit, D, Labeit, S, Mayans, O.
Deposit date:2006-11-23
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular determinants for the recruitment of the ubiquitin-ligase MuRF-1 onto M-line titin.
Faseb J., 21, 2007
2NVY
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BU of 2nvy by Molmil
RNA Polymerase II form II in 150 mM Mn+2
Descriptor: DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, DNA-directed RNA polymerase II 45 kDa polypeptide, ...
Authors:Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D.
Deposit date:2006-11-13
Release date:2006-12-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis
Cell(Cambridge,Mass.), 127, 2006
3J03
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BU of 3j03 by Molmil
Lidless Mm-cpn in the closed state with ATP/AlFx
Descriptor: Lidless Mm-cpn
Authors:Zhang, J, Ma, B, DiMaio, F, Douglas, N.R, Joachimiak, L, Baker, D, Frydman, J, Levitt, M, Chiu, W.
Deposit date:2011-02-10
Release date:2011-05-18
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM structure of a group II chaperonin in the prehydrolysis ATP-bound state leading to lid closure.
Structure, 19, 2011
2O1B
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BU of 2o1b by Molmil
Structure of aminotransferase from Staphylococcus aureus
Descriptor: Aminotransferase, class I, PYRIDOXAL-5'-PHOSPHATE
Authors:McGrath, T.E, Dharamsi, A, Thambipillai, D, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
Deposit date:2006-11-28
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of aminotransferase from Staphylococcus aureus
To be Published
2NY3
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BU of 2ny3 by Molmil
HIV-1 gp120 Envelope Glycoprotein (K231C, T257S, E267C, S334A, S375W) Complexed with CD4 and Antibody 17b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
Authors:Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
Deposit date:2006-11-20
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
3KFK
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BU of 3kfk by Molmil
Crystal structures of a group II chaperonin from Methanococcus maripaludis
Descriptor: Chaperonin, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D.
Deposit date:2009-10-27
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (6.003 Å)
Cite:Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
2O1Y
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BU of 2o1y by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand
Descriptor: 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X
Authors:Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
Deposit date:2006-11-29
Release date:2007-02-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
3KGQ
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BU of 3kgq by Molmil
Carboxypeptidase A liganded to an organic small-molecule: conformational changes
Descriptor: ACETONE, CITRIC ACID, Carboxypeptidase A1, ...
Authors:Fernandez, D, Boix, E, Pallares, I, Aviles, F.X, Vendrell, J.
Deposit date:2009-10-29
Release date:2010-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase A
Enzyme Res, 2011, 2011
3KYT
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BU of 3kyt by Molmil
Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
Descriptor: 20-HYDROXYCHOLESTEROL, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2
Authors:Martynowski, D, Li, Y.
Deposit date:2009-12-07
Release date:2010-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
3L02
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BU of 3l02 by Molmil
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92A mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
Descriptor: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2009-12-09
Release date:2010-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
3DRT
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BU of 3drt by Molmil
Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671
Descriptor: 2F5 Fab' heavy chain, 2F5 Fab' light chain, GLYCEROL, ...
Authors:Julien, J.-P, Bryson, S, de la Torre, B.G, Andreu, D, Nieva, J.L, Pai, E.F.
Deposit date:2008-07-11
Release date:2009-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5.
J.Phys.Chem.B, 113, 2009
3L0J
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BU of 3l0j by Molmil
Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
Descriptor: (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2
Authors:Martynowski, D, Li, Y.
Deposit date:2009-12-10
Release date:2010-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
4AN4
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BU of 4an4 by Molmil
Crystal structure of the glycosyltransferase SnogD from Streptomyces nogalater
Descriptor: DEOXYURIDINE-5'-DIPHOSPHATE, GLYCOSYL TRANSFERASE
Authors:Claesson, M, Siitonen, V, Dobritzsch, D, Metsa-Ketela, M, Schneider, G.
Deposit date:2012-03-15
Release date:2012-09-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of the Glycosyltransferase Snogd from the Biosynthetic Pathway of the Nogalamycin in Streptomyces Nogalater.
FEBS J., 279, 2012

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