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4GOL
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BU of 4gol by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Methylated Aza-SAM
Descriptor: DNA adenine methylase, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE
Authors:Harmer, J.E, Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be Published
4GOO
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BU of 4goo by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Benzothiophene Aza-SAM
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine, DNA adenine methylase
Authors:Harmer, J.E, Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be published
4GOM
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BU of 4gom by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Aza-SAM
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine, DNA adenine methylase
Authors:Harmer, J.E, Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be published
4GON
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BU of 4gon by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Indole Aza-SAM
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino}-5'-deoxyadenosine, DNA adenine methylase
Authors:Harmer, J.E, Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be published
1MSI
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BU of 1msi by Molmil
STRUCTURE OF ANTIFREEZE GLYCOPROTEIN QAE(HPLC 12)
Descriptor: TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12
Authors:Jia, Z, Deluca, C.I, Chao, H, Davies, P.L.
Deposit date:1996-10-08
Release date:1997-12-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for the binding of a globular antifreeze protein to ice.
Nature, 384, 1996
1IPS
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BU of 1ips by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX)
Descriptor: ISOPENICILLIN N SYNTHASE, MANGANESE (II) ION
Authors:Roach, P.L, Clifton, I.J, Fulop, V, Harlos, K, Barton, G.J, Hajdu, J, Andersson, I, Schofield, C.J, Baldwin, J.E.
Deposit date:1997-03-21
Release date:1998-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of isopenicillin N synthase is the first from a new structural family of enzymes.
Nature, 375, 1995
1ODN
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BU of 1odn by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN-EXPOSED PRODUCT FROM ANAEROBIC AC-VINYLGLYCINE FE COMPLEX)
Descriptor: 6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, FE (II) ION, ISOPENICILLIN N SYNTHASE, ...
Authors:Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E.
Deposit date:2003-02-19
Release date:2003-06-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue
Org.Biomol.Chem., 1, 2003
1ODM
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BU of 1odm by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC AC-VINYLGLYCINE FE COMPLEX)
Descriptor: DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ...
Authors:Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E.
Deposit date:2003-02-19
Release date:2003-06-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue
Org.Biomol.Chem., 1, 2003
5LLF
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BU of 5llf by Molmil
Structure of Polyphosphate Kinase 2 mutant D117N from Francisella tularensis with polyphosphate
Descriptor: CHLORIDE ION, PHOSPHATE ION, Polyphosphate kinase 2, ...
Authors:Roach, P.L, Parnell, A.E.
Deposit date:2016-07-27
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7MSI
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BU of 7msi by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12
Descriptor: TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12
Authors:Deluca, C.I, Davies, P.L, Ye, Q, Jia, Z.
Deposit date:1997-09-17
Release date:1998-10-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The effects of steric mutations on the structure of type III antifreeze protein and its interaction with ice.
J.Mol.Biol., 275, 1998
5LLB
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BU of 5llb by Molmil
Structure of Polyphosphate Kinase 2 from Francisella tularensis with AMPPCH2PPP and polyphosphate
Descriptor: CHLORIDE ION, MAGNESIUM ION, Polyphosphate kinase 2, ...
Authors:Roach, P.L, Parnell, A.E.
Deposit date:2016-07-27
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5LL0
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BU of 5ll0 by Molmil
Structure of Polyphosphate Kinase 2 from Francisella tularensis SCHU S4 with polyphosphate
Descriptor: Polyphosphate kinase 2, bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
Authors:Roach, P.L, Parnell, A.E.
Deposit date:2016-07-25
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AU1
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BU of 6au1 by Molmil
Structure of the PgaB (BpsB) glycoside hydrolase domain from Bordetella bronchiseptica
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Putative hemin storage protein, ...
Authors:Little, D.J, Bamford, N.C, Howell, P.L.
Deposit date:2017-08-30
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:PgaB orthologues contain a glycoside hydrolase domain that cleaves deacetylated poly-beta (1,6)-N-acetylglucosamine and can disrupt bacterial biofilms.
PLoS Pathog., 14, 2018
6BDT
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BU of 6bdt by Molmil
Crystal Structure of Human Calpain-3 Protease Core Mutant-C129S
Descriptor: CALCIUM ION, CHLORIDE ION, Calpain-3
Authors:Ye, Q, Campbell, R.L, Davies, P.L.
Deposit date:2017-10-24
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
6BG8
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BU of 6bg8 by Molmil
Shewanella frigidimarina ice-binding protein_1 DUF3494 Domain
Descriptor: CHLORIDE ION, GLYCEROL, Ig domain protein, ...
Authors:Vance, T.D.R, Davies, P.L.
Deposit date:2017-10-27
Release date:2018-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.59712946 Å)
Cite:An ice-binding and tandem beta-sandwich domain-containing protein in Shewanella frigidimarina is a potential new type of ice adhesin.
FEBS J., 285, 2018
6BJD
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BU of 6bjd by Molmil
Crystal Structure of Human Calpain-3 Protease Core in Complex with E-64
Descriptor: CALCIUM ION, CHLORIDE ION, Calpain-3, ...
Authors:Ye, Q, Campbell, R.L, Davies, P.L.
Deposit date:2017-11-06
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
6BGP
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BU of 6bgp by Molmil
Crystal Structure of Human Calpain-3 Protease Core Mutant-C129A
Descriptor: CALCIUM ION, CHLORIDE ION, Calpain-3
Authors:Ye, Q, Campbell, R.L, Davies, P.L.
Deposit date:2017-10-29
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
6BKJ
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BU of 6bkj by Molmil
Crystal Structure of Human Calpain-3 Protease Core in Complex with Leupeptin
Descriptor: CALCIUM ION, Calpain-3, Leupeptin
Authors:Ye, Q, Campbell, R.L, Davies, P.L.
Deposit date:2017-11-08
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
6BT4
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BU of 6bt4 by Molmil
Crystal structure of the SLH domain of Sap from Bacillus anthracis in complex with a pyruvylated SCWP unit
Descriptor: 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose, S-layer protein sap, SULFATE ION
Authors:Sychantha, D, Chapman, R.N, Bamford, N.C, Boons, G.J, Howell, P.L, Clarke, A.J.
Deposit date:2017-12-05
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:Molecular Basis for the Attachment of S-Layer Proteins to the Cell Wall of Bacillus anthracis.
Biochemistry, 57, 2018
3K90
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BU of 3k90 by Molmil
The Abscisic acid receptor PYR1 in complex with Abscisic Acid
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ACETIC ACID, GLYCEROL, ...
Authors:Dupeux, F.D, Santiago, J, Rodriguez, P.L, Marquez, J.A.
Deposit date:2009-10-15
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The abscisic acid receptor PYR1 in complex with abscisic acid.
Nature, 462, 2009
3LZ2
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BU of 3lz2 by Molmil
STRUCTURE DETERMINATION OF TURKEY EGG WHITE LYSOZYME USING LAUE DIFFRACTION
Descriptor: TURKEY EGG WHITE LYSOZYME
Authors:Howell, P.L, Almo, S.C, Parsons, M.R, Hajdu, J, Petsko, G.A.
Deposit date:1991-09-13
Release date:1993-10-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure determination of turkey egg-white lysozyme using Laue diffraction data.
Acta Crystallogr.,Sect.B, 48, 1992
3MMS
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BU of 3mms by Molmil
Crystal structure of Streptococcus pneumoniae MTA/SAH nucleosidase in complex with 8-aminoadenine
Descriptor: 5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase, 9H-purine-6,8-diamine, GLYCEROL
Authors:Siu, K.K.W, Lee, J.E, Horvatin-Mrakovcic, C, Howell, P.L.
Deposit date:2010-04-20
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Streptococcus pneumoniae MTA/SAH nucleosidase in complex with 8-aminoadenine
TO BE PUBLISHED
3MSI
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BU of 3msi by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12
Descriptor: TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12
Authors:Deluca, C.I, Davies, P.L, Ye, Q, Jia, Z.
Deposit date:1997-09-17
Release date:1998-10-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:The effects of steric mutations on the structure of type III antifreeze protein and its interaction with ice.
J.Mol.Biol., 275, 1998
1TL9
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BU of 1tl9 by Molmil
High resolution crystal structure of calpain I protease core in complex with leupeptin
Descriptor: CALCIUM ION, Calpain 1, large [catalytic] subunit, ...
Authors:Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L.
Deposit date:2004-06-09
Release date:2004-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site
J.Mol.Biol., 343, 2004
1TLO
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BU of 1tlo by Molmil
High resolution crystal structure of calpain I protease core in complex with E64
Descriptor: CALCIUM ION, Calpain 1, large [catalytic] subunit, ...
Authors:Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L.
Deposit date:2004-06-09
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site
J.Mol.Biol., 343, 2004

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