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2OTY
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BU of 2oty by Molmil
1,2-dichlorobenzene in complex with T4 Lysozyme L99A
Descriptor: 1,2-DICHLOROBENZENE, BETA-MERCAPTOETHANOL, Lysozyme, ...
Authors:Graves, A.P, Shoichet, B.K.
Deposit date:2007-02-09
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
2ONM
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BU of 2onm by Molmil
Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ...
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
3H0X
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BU of 3h0x by Molmil
Crystal structure of peptide-binding domain of Kar2 protein from Saccharomyces cerevisiae
Descriptor: 78 kDa glucose-regulated protein homolog
Authors:Osipiuk, J, Bigelow, L, Gu, M, Sahi, C, Craig, E.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-04-10
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:X-ray crystal structure of peptide-binding domain of Kar2 protein from Saccharomyces cerevisiae.
To be Published
3H16
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BU of 3h16 by Molmil
Crystal structure of a bacteria TIR domain, PdTIR from Paracoccus denitrificans
Descriptor: SULFATE ION, TIR protein
Authors:Chan, S.L, Low, L.Y, Santelli, E, Pascual, J.
Deposit date:2009-04-11
Release date:2009-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Mimicry in Innate Immunity: CRYSTAL STRUCTURE OF A BACTERIAL TIR DOMAIN.
J.Biol.Chem., 284, 2009
3H5N
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BU of 3h5n by Molmil
Crystal structure of E. coli MccB + ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MccB protein, ...
Authors:Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
Deposit date:2009-04-22
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
2OO3
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BU of 2oo3 by Molmil
Crystal structure of protein LPL1258 from Legionella pneumophila str. Philadelphia 1, Pfam DUF519
Descriptor: Protein involved in catabolism of external DNA, SULFATE ION
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Slocombe, A, Reyes, C, Ozyurt, S, Smyth, L, Atwell, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-01-25
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the hypothetical lpl1258 protein from Legionella pneumophila
To be Published
3TUI
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BU of 3tui by Molmil
Inward facing conformations of the MetNI methionine ABC transporter: CY5 native crystal form
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-methionine transport system permease protein metI, Methionine import ATP-binding protein MetN
Authors:Johnson, E, Nguyen, P.T, Rees, D.C.
Deposit date:2011-09-16
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inward facing conformations of the MetNI methionine ABC transporter: Implications for the mechanism of transinhibition.
Protein Sci., 21, 2012
3GKB
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BU of 3gkb by Molmil
Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis
Descriptor: GLYCEROL, Putative enoyl-CoA hydratase
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-03-10
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis
To be Published
3U7E
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BU of 3u7e by Molmil
Crystal structure of mPNKP catalytic fragment (D170A)
Descriptor: Bifunctional polynucleotide phosphatase/kinase, GLYCEROL, MAGNESIUM ION, ...
Authors:Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M.
Deposit date:2011-10-13
Release date:2011-12-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
2ONN
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BU of 2onn by Molmil
Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, Apo form
Descriptor: Aldehyde dehydrogenase
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2OPD
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BU of 2opd by Molmil
Structure of the Neisseria meningitidis minor Type IV pilin, PilX
Descriptor: PilX
Authors:Dyer, D.H, Helaine, S, Pelicic, V, Forest, K.T.
Deposit date:2007-01-29
Release date:2007-10-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:3D structure/function analysis of PilX reveals how minor pilins can modulate the virulence properties of type IV pili.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3GNL
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BU of 3gnl by Molmil
Structure of uncharacterized protein (LMOf2365_1472) from Listeria monocytogenes serotype 4b
Descriptor: uncharacterized protein, DUF633, LMOf2365_1472
Authors:Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-03-17
Release date:2009-04-21
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of uncharacterized protein (LMOf2365_1472) from Listeria monocytogenes serotype 4b
To be Published
3H6R
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BU of 3h6r by Molmil
Clitocypin, a beta-trefoil cysteine protease inhibitor
Descriptor: Clitocypin analog
Authors:Renko, M, Sabotic, J, Brzin, J, Turk, D.
Deposit date:2009-04-23
Release date:2009-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Versatile loops in mycocypins inhibit three protease families.
J.Biol.Chem., 285, 2010
3GNU
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BU of 3gnu by Molmil
Toxin fold as basis for microbial attack and plant defense
Descriptor: 25 kDa protein elicitor, CHLORIDE ION, GUANIDINE
Authors:Ottmann, C, Luberacki, B, Kuefner, I, Koch, W, Brunner, F, Weyand, M, Mattinen, L, Pirhonen, M, Anderluh, G, Seitz, H.U, Nuernberger, T, Oecking, C.
Deposit date:2009-03-18
Release date:2009-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A common toxin fold mediates microbial attack and plant defense
Proc.Natl.Acad.Sci.USA, 106, 2009
3U9O
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BU of 3u9o by Molmil
Crystal structure of Staphylococcal nuclease variant NVIAGA/N100G at cryogenic temperature
Descriptor: PHOSPHATE ION, Thermonuclease
Authors:Schlessman, J.L, Doctrow, B.M, Garcia-Moreno E, B.
Deposit date:2011-10-19
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Local flexibility as a determinant of pKa values of surface ionizable groups in proteins
To be Published
2OQI
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BU of 2oqi by Molmil
Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine
Descriptor: (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP)
Authors:Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D, Backes, B.J, Lai, C, Lubben, T.H, Ballaron, S.J, Beno, D.W, Kempf-Grote, A.J, Sham, H.L, Trevillyan, J.M.
Deposit date:2007-01-31
Release date:2007-04-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
2OQL
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BU of 2oql by Molmil
Structure of Phosphotriesterase mutant H254Q/H257F
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Parathion hydrolase, ...
Authors:Kim, J, Tsai, P, Raushel, F.M, Almo, S.C.
Deposit date:2007-01-31
Release date:2008-02-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of PTE mutant H254Q/H257F
To be Published
3GOA
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BU of 3goa by Molmil
Crystal structure of the Salmonella typhimurium FadA 3-ketoacyl-CoA thiolase
Descriptor: 3-ketoacyl-CoA thiolase, CALCIUM ION, CHLORIDE ION, ...
Authors:Anderson, S.M, Skarina, T, Onopriyenko, O, Wawrzak, Z, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-03-18
Release date:2009-03-31
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:

2ORI
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BU of 2ori by Molmil
Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (A193V/Q199R/)
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
Authors:Counago, R, Shamoo, Y, Wilson, C.J, Wu, G, Myers, J.
Deposit date:2007-02-02
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (A193V/Q199R/)
To be Published
3GP4
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BU of 3gp4 by Molmil
Crystal structure of putative MerR family transcriptional regulator from listeria monocytogenes
Descriptor: D-METHIONINE, GLYCEROL, SODIUM ION, ...
Authors:Ramagopal, U.A, Toro, R, Morano, C, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-03-20
Release date:2009-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of putative MerR family transcriptional regulator from Listeria monocytogenes
To be published
2OU0
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BU of 2ou0 by Molmil
1-methylpyrrole in complex with T4 Lysozyme L99A
Descriptor: 1-METHYL-1H-PYRROLE, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Shoichet, B.K.
Deposit date:2007-02-09
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
3TLE
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BU of 3tle by Molmil
Microcin C7 self immunity protein MccF in complex with glutamyl sulfamoyl adenylate
Descriptor: 1,2-ETHANEDIOL, MccF, O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE
Authors:Agarwal, V, Nair, S.K.
Deposit date:2011-08-29
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure and function of a serine carboxypeptidase adapted for degradation of the protein synthesis antibiotic microcin C7.
Proc.Natl.Acad.Sci.USA, 109, 2012
3GQK
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BU of 3gqk by Molmil
Crystal Structure of the Bacteriophage phi29 gene product 12 C-terminal fragment in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Preneck appendage protein
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2009-03-24
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic insights into the autocatalytic assembly mechanism of a bacteriophage tail spike.
Mol.Cell, 34, 2009
3U0F
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BU of 3u0f by Molmil
The structure of Beta-ketoacyl synthase from Brucella melitensis bound to the fragment 7-hydroxycoumarin
Descriptor: 7-hydroxy-2H-chromen-2-one, Beta-ketoacyl synthase, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-28
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.
Proteins, 88, 2020
3GQO
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BU of 3gqo by Molmil
Crystal structure of macro domain of Venezuelan Equine Encephalitis virus in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Malet, H, Jamal, S, Coutard, B, Ferron, F, Canard, B.
Deposit date:2009-03-24
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket
J.Virol., 83, 2009

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