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3HFK
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BU of 3hfk by Molmil
Crystal structure of 4-methylmuconolactone methylisomerase (H52A) in complex with 4-methylmuconolactone
Descriptor: 4-methylmuconolactone methylisomerase, [(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Authors:Marin, M, Heinz, D.W, Pieper, D.H, Klink, B.U.
Deposit date:2009-05-12
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and catalytic mechanism of 4-methylmuconolactone methylisomerase
J.Biol.Chem., 284, 2009
3ORU
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BU of 3oru by Molmil
Crystal structure of a DUF1989 family protein (TM1040_0329) from SILICIBACTER SP. TM1040 at 1.11 A resolution
Descriptor: CHLORIDE ION, DUF1989 family protein, MAGNESIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-09-07
Release date:2010-10-13
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Crystal structure of a DUF1989 family protein (TM1040_0329) from SILICIBACTER SP. TM1040 at 1.11 A resolution
To be published
3OWC
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BU of 3owc by Molmil
Crystal structure of GNAT superfamily protein PA2578 from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, COENZYME A, Probable acetyltransferase
Authors:Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-09-17
Release date:2010-11-03
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of GNAT superfamily protein PA2578 from Pseudomonas aeruginosa
To be Published
3OWN
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BU of 3own by Molmil
Potent macrocyclic renin inhibitors
Descriptor: (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, ACETATE ION, ...
Authors:Borkakoti, N, Derbyshire, D.
Deposit date:2010-09-20
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of potent macrocyclic renin inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3OSD
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BU of 3osd by Molmil
Crystal structure of a putative glycosyl hydrolase (BT2157) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, POTASSIUM ION, putative glycosyl hydrolase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-09-08
Release date:2010-10-13
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a putative glycosyl hydrolase (BT2157) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.80 A resolution
To be published
3OXA
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BU of 3oxa by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida
Descriptor: Steroid Delta-isomerase
Authors:Sigala, P.A, Fenn, T.D, Herschlag, D.
Deposit date:2010-09-21
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3OXL
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BU of 3oxl by Molmil
Human lysine methyltransferase Smyd3 in complex with AdoHcy (Form II)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
Deposit date:2010-09-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding
Nucleic Acids Res., 39, 2011
3OT2
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BU of 3ot2 by Molmil
Crystal structure of a putative nuclease belonging to DUF820 (Ava_3926) from Anabaena variabilis ATCC 29413 at 1.96 A resolution
Descriptor: 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, ACETATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-09-10
Release date:2010-10-06
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of a putative nuclease belonging to DUF820 (Ava_3926) from Anabaena variabilis ATCC 29413 at 1.96 A resolution
To be published
3OTP
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BU of 3otp by Molmil
Crystal structure of the DegP dodecamer with a model substrate
Descriptor: Lysozyme C, Protease do
Authors:Kim, S, Grant, R.A, Sauer, R.T.
Deposit date:2010-09-13
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.76 Å)
Cite:Covalent Linkage of Distinct Substrate Degrons Controls Assembly and Disassembly of DegP Proteolytic Cages.
Cell(Cambridge,Mass.), 145, 2011
3OXX
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BU of 3oxx by Molmil
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Atazanavir
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, 1,2-ETHANEDIOL, ...
Authors:Schiffer, C.A, Bandaranayake, R.M.
Deposit date:2010-09-22
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
3P9K
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BU of 3p9k by Molmil
Crystal structure of perennial ryegrass LpOMT1 complexed with S-adenosyl-L-homocysteine and coniferaldehyde
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, Caffeic acid O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Louie, G.V, Noel, J.P, Bowman, M.E.
Deposit date:2010-10-17
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Function Analyses of a Caffeic Acid O-Methyltransferase from Perennial Ryegrass Reveal the Molecular Basis for Substrate Preference.
Plant Cell, 22, 2010
3EWK
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BU of 3ewk by Molmil
Structure of the redox sensor domain of Methylococcus capsulatus (Bath) MmoS
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Ukaegbu, U.E, Rosenzweig, A.C.
Deposit date:2008-10-15
Release date:2009-03-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure of the Redox Sensor Domain of Methylococcus capsulatus (Bath) MmoS.
Biochemistry, 48, 2009
3FKV
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BU of 3fkv by Molmil
AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb)
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Chen, Y, McReynolds, A, Shoichet, B.K.
Deposit date:2008-12-17
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
3OW2
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BU of 3ow2 by Molmil
Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Descriptor: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1H-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-D-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside, 23S RIBOSOMAL RNA, 50S ribosomal protein L10E, ...
Authors:Kanyo, Z.F.
Deposit date:2010-09-17
Release date:2012-06-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:

3FLU
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BU of 3flu by Molmil
Crystal structure of dihydrodipicolinate synthase from the pathogen Neisseria meningitidis
Descriptor: Dihydrodipicolinate synthase, GLYCEROL, SULFATE ION
Authors:Devenish, S.R.A, Hadfield, A.T.
Deposit date:2008-12-19
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cloning and characterisation of dihydrodipicolinate synthase from the pathogen Neisseria meningitidis.
Biochim.Biophys.Acta, 2009
3OIS
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BU of 3ois by Molmil
Crystal Structure Xylellain, a cysteine protease from Xylella fastidiosa
Descriptor: Cysteine protease, URIDINE-5'-DIPHOSPHATE
Authors:Leite, N.R, Faro, A.R, Oliva, M.A.V, Thiemann, O.H, Oliva, G.
Deposit date:2010-08-19
Release date:2011-08-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of the cysteine protease Xylellain from Xylella fastidiosa reveals an intriguing activation mechanism.
Febs Lett., 587, 2013
3FMW
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BU of 3fmw by Molmil
The crystal structure of MtmOIV, a Baeyer-Villiger monooxygenase from the mithramycin biosynthetic pathway in Streptomyces argillaceus.
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Oxygenase
Authors:Noinaj, N, Beam, M.P, Wang, C, Rohr, J.
Deposit date:2008-12-22
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal structure of Baeyer-Villiger monooxygenase MtmOIV, the key enzyme of the mithramycin biosynthetic pathway .
Biochemistry, 48, 2009
3OKK
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BU of 3okk by Molmil
Crystal structure of S25-39 in complex with Kdo(2.4)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain, ...
Authors:Blackler, R.J, Evans, S.V.
Deposit date:2010-08-25
Release date:2011-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
3FOP
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BU of 3fop by Molmil
A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Hexagonal Form
Descriptor: N-1,10-phenanthrolin-5-ylacetamide, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tezcan, F.A, Radford, R.J.
Deposit date:2008-12-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:A superprotein triangle driven by nickel(II) coordination: exploiting non-natural metal ligands in protein self-assembly.
J.Am.Chem.Soc., 131, 2009
3EYS
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BU of 3eys by Molmil
PFA1 Fab fragment complexed with pyro-Glu3-A-Beta (3-8)
Descriptor: GLYCEROL, If kappa light chain, PFA1 Fab Heavy Chain, ...
Authors:Gardberg, A.S, Dealwis, C.G.
Deposit date:2008-10-21
Release date:2009-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Abeta-related peptide--monoclonal antibody complexes.
Biochemistry, 48, 2009
3EZ1
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BU of 3ez1 by Molmil
Crystal structure of putative aminotransferase (MocR family) (YP_604413.1) from DEINOCOCCUS GEOTHERMALIS DSM 11300 at 2.60 A resolution
Descriptor: Aminotransferase MocR family, PHOSPHATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-10-22
Release date:2008-11-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of putative aminotransferase (MocR family) (YP_604413.1) from DEINOCOCCUS GEOTHERMALIS DSM 11300 at 2.60 A resolution
To be published
3FPC
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BU of 3fpc by Molmil
Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-294 of T. brockii ADH by E. histolytica ADH
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, IMIDAZOLE, ...
Authors:Felix, F, Goihberg, E, Shimon, L, Burstein, Y.
Deposit date:2009-01-05
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms
Biochemistry, 49, 2010
3EZ5
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BU of 3ez5 by Molmil
Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA , dCTP, and zinc (closed form).
Descriptor: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DTP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DG)-3', ...
Authors:Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S.
Deposit date:2008-10-22
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis.
Structure, 18, 2010
3ON5
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BU of 3on5 by Molmil
Crystal structure of a xanthine dehydrogenase (BH1974) from Bacillus halodurans at 2.80 A resolution
Descriptor: BH1974 protein, CHLORIDE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-08-27
Release date:2010-09-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a xanthine dehydrogenase (BH1974) from Bacillus halodurans at 2.80 A resolution
To be published
3P39
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BU of 3p39 by Molmil
Crystal structure of the NS1 effector domain W182A mutant from influenza A/Vietnam/1203/2004 (H5N1) virus
Descriptor: Nonstructural protein 1
Authors:Chen, S, Xiao, Y.B, Bricogne, G, Sharff, A.J, Hilgenfeld, R.
Deposit date:2010-10-04
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published

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