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3P4S
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BU of 3p4s by Molmil
Crystal structure of Menaquinol:fumarate oxidoreductase in complex with a 3-nitropropionate adduct
Descriptor: 3-NITROPROPANOIC ACID, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Tomasiak, T.M, Archuleta, T.L, Andrell, J, Luna-Chavez, C, Davis, T.A, Sarwar, M, Ham, A.J, McDonald, W.H, Yankowskaya, V, Stern, H.A, Johnston, J.N, Maklashina, E, Cecchini, G, Iverson, T.M.
Deposit date:2010-10-07
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase.
J.Biol.Chem., 286, 2011
3GBI
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BU of 3gbi by Molmil
The Rational Design and Structural Analysis of a Self-Assembled Three-Dimensional DNA Crystal
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
Authors:Birktoft, J.J, Zheng, J, Seeman, N.C.
Deposit date:2009-02-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.018 Å)
Cite:From molecular to macroscopic via the rational design of a self-assembled 3D DNA crystal.
Nature, 461, 2009
3M6B
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BU of 3m6b by Molmil
Crystal Structure of the Ertapenem Pre-isomerized Covalent Adduct with TB B-lactamase
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Tremblay, L.W, Fan, F, Blanchard, J.S.
Deposit date:2010-03-15
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
3GD7
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BU of 3gd7 by Molmil
Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP)
Descriptor: Fusion complex of Cystic fibrosis transmembrane conductance regulator, residues 1193-1427 and Maltose/maltodextrin import ATP-binding protein malK, residues 219-371, ...
Authors:Atwell, S, Antonysamy, S, Conners, K, Emtage, S, Gheyi, T, Lewis, H.A, Lu, F, Sauder, J.M, Wasserman, S.R, Zhao, X.
Deposit date:2009-02-23
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP)
To be Published
3GFL
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BU of 3gfl by Molmil
Crystal structure of the ST1710 mutant (R90A) protein
Descriptor: 146aa long hypothetical transcriptional regulator, CALCIUM ION
Authors:Kumarevel, T, Tanaka, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-02-27
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Nucleic Acids Res., 37, 2009
3FXI
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BU of 3fxi by Molmil
Crystal structure of the human TLR4-human MD-2-E.coli LPS Ra complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-HYDROXY-TETRADECANOIC ACID, ...
Authors:Park, B.S, Song, D.H, Kim, H.M, Lee, J.-O.
Deposit date:2009-01-21
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structural basis of lipopolysaccharide recognition by the TLR4-MD-2 complex
Nature, 458, 2009
3G2V
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BU of 3g2v by Molmil
VHS Domain of human GGA1 complexed with Sotilin C-terminal Phosphopeptide
Descriptor: ADP-ribosylation factor-binding protein GGA1, C-terminal fragment of Sortilin, IODIDE ION
Authors:Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S.
Deposit date:2009-02-01
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:GGA autoinhibition revisited
Traffic, 11, 2010
3MEL
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BU of 3mel by Molmil
Crystal Structure of Thiamin pyrophosphokinase family protein from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR150
Descriptor: MAGNESIUM ION, PHOSPHATE ION, THIAMINE DIPHOSPHATE, ...
Authors:Kuzin, A, Abasidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Foote, E.L, Maglaqui, M, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.788 Å)
Cite:Northeast Structural Genomics Consortium Target EfR150
To be Published
3M12
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BU of 3m12 by Molmil
Crystal Structure of the Lys265Arg phosphate-crytsallized mutant of monomeric sarcosine oxidase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric Sarcosine Oxidase
Authors:Mathews, F.S, Chen, Z.-W, Jorns, M.S.
Deposit date:2010-03-04
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of mutations at the oxygen activation site in monomeric sarcosine oxidase.
Biochemistry, 49, 2010
3M20
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BU of 3m20 by Molmil
Crystal structure of DmpI from Archaeoglobus fulgidus determined to 2.37 Angstroms resolution
Descriptor: 4-oxalocrotonate tautomerase, putative
Authors:Hackert, M.L, Whitman, C.P, Almrud, J.J, Dasgupta, R, Kern, A.D.
Deposit date:2010-03-06
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Kinetic and structural characterization of DmpI from Helicobacter pylori and Archaeoglobus fulgidus, two 4-oxalocrotonate tautomerase family members.
Bioorg.Chem., 38, 2010
3GBW
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BU of 3gbw by Molmil
Crystal structure of the first PHR domain of the Mouse Myc-binding protein 2 (MYCBP-2)
Descriptor: E3 ubiquitin-protein ligase MYCBP2
Authors:Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Klemke, R.L, Miller, S.A, Bain, K.T, Rutter, M.E, Tarun, G, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-02-20
Release date:2009-03-24
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1.
J.Mol.Biol., 397, 2010
3MJB
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BU of 3mjb by Molmil
Cricket Paralysis Virus IGR IRES Domain 3 RNA bound to sulfate
Descriptor: Domain 3 of the cricket paralysis virus intergenic region IRES RNA, RNA (5'-R(P*UP*AP*AP*GP*AP*AP*AP*UP*UP*UP*AP*CP*CP*U)-3'), SULFATE ION
Authors:Kieft, J.S, Golden, B.L, Costantino, D.A, Chase, E.
Deposit date:2010-04-12
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification and characterization of anion binding sites in RNA.
Rna, 16, 2010
3GEK
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BU of 3gek by Molmil
Crystal structure of putative thioesterase yhdA from Lactococcus lactis. Northeast Structural Genomics Consortium Target KR113
Descriptor: Putative thioesterase yhdA
Authors:Kuzin, A.P, Su, M, Seetharaman, R, Lee, D, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Nair, R, Rost, B, Acton, T.B, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-02-25
Release date:2009-03-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:X-Ray structure of putative thioesterase yhdA from Lactococcus lactis. Northeast Structural Genomics Consortium Target KR113
To be published
3GEZ
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BU of 3gez by Molmil
Crystal Structure of the hypothetical egulator from Sulfolobus tokodaii 7
Descriptor: 146aa long hypothetical transcriptional regulator, CALCIUM ION
Authors:Kumarevel, T, Tanaka, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-02-26
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Nucleic Acids Res., 37, 2009
3GFR
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BU of 3gfr by Molmil
Structure of YhdA, D137L variant
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADPH-azoreductase
Authors:Staunig, N, Gruber, K.
Deposit date:2009-02-27
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:A single intersubunit salt bridge affects oligomerization and catalytic activity in a bacterial quinone reductase
Febs J., 276, 2009
3GGH
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BU of 3ggh by Molmil
Donor strand complemented FaeG of F4ad fimbriae
Descriptor: K88 fimbrial protein AD, SULFATE ION
Authors:Van Molle, I, Moonens, K, Garcia-Pino, A, Buts, L, Bouckaert, J, De Greve, H.
Deposit date:2009-02-28
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:Structural and thermodynamic characterization of pre- and postpolymerization states in the F4 fimbrial subunit FaeG
J.Mol.Biol., 394, 2009
3MQP
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BU of 3mqp by Molmil
Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide, Northeast Structural Genomics Consortium Target HR2930
Descriptor: Bcl-2-related protein A1, Phorbol-12-myristate-13-acetate-induced protein 1
Authors:Guan, R, Xiao, R, Zhao, L, Acton, T.B, Gelinas, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-04-28
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide
To be Published
3MER
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BU of 3mer by Molmil
Crystal Structure of the methyltransferase Slr1183 from Synechocystis sp. PCC 6803, Northeast Structural Genomics Consortium Target SgR145
Descriptor: Slr1183 protein
Authors:Seetharaman, J, Chen, Y, Forouhar, F, Rossi, P, Sahdev, S, Xiao, R, Ciccosanti, C, Foote, E.L, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-31
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Northeast Structural Genomics Consortium Target SgR145
To be Published
3EBF
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BU of 3ebf by Molmil
Structure of inhibited murine iNOS oxygenase domain
Descriptor: (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-27
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3M1L
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BU of 3m1l by Molmil
Crystal structure of a C-terminal trunacted mutant of a putative ketoacyl reductase (FabG4) from Mycobacterium tuberculosis H37Rv at 2.5 Angstrom resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, ACETATE ION
Authors:Dutta, D, Bhattacharyya, S, Saha, B, Das, A.K.
Deposit date:2010-03-05
Release date:2010-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of FabG4 from Mycobacterium tuberculosis reveals the importance of C-terminal residues in ketoreductase activity
J.Struct.Biol., 174, 2011
3O0I
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BU of 3o0i by Molmil
Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor PU-H54
Descriptor: 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine, HSP90AA1 protein
Authors:Seidler, P.M, Gewirth, D.T.
Deposit date:2010-07-19
Release date:2011-10-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Paralog-selective Hsp90 inhibitors define tumor-specific regulation of HER2.
Nat.Chem.Biol., 9, 2013
3EL0
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BU of 3el0 by Molmil
Crystal structure of the inhibitor Nelfinavir (NFV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation)
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, PHOSPHATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N.M.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3NVY
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BU of 3nvy by Molmil
Crystal Structure of Bovine Xanthine Oxidase in Complex with Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Cao, H, Hille, R.
Deposit date:2010-07-08
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray Crystal Structure of a Xanthine Oxidase Complex with the Flavonoid Inhibitor Quercetin.
J Nat Prod, 77, 2014
3EBD
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BU of 3ebd by Molmil
Structure of inhibited murine iNOS oxygenase domain
Descriptor: (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-27
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3NVO
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BU of 3nvo by Molmil
The Soluble Domain Structure of the ZntB Zn2+ Efflux System
Descriptor: SULFATE ION, ZINC ION, Zinc transport protein zntB
Authors:Wan, Q, Dealwis, C.
Deposit date:2010-07-08
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Soluble Domain Structure of the ZntB Zn2+ Efflux System
To be Published

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