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2IVJ
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BU of 2ivj by Molmil
Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- cyclopropylglycine Fe Complex)
Descriptor: D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ...
Authors:Howard-Jones, A.R, Elkins, J.M, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
Deposit date:2006-06-13
Release date:2007-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
2IVI
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Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- methyl-cyclopropylglycine Fe Complex)
Descriptor: D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ...
Authors:Elkins, J.M, Howard-Jones, A.R, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
Deposit date:2006-06-13
Release date:2007-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
1OC1
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BU of 1oc1 by Molmil
ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE COMPLEX
Descriptor: DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ...
Authors:Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J.
Deposit date:2003-02-03
Release date:2004-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate
Biochem.J., 372, 2003
1OBN
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ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE-NO COMPLEX
Descriptor: DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, HYDROXYAMINE, ...
Authors:Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J.
Deposit date:2003-01-31
Release date:2004-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate.
Biochem.J., 372, 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
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
6OLJ
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BU of 6olj by Molmil
CryoEM structure of PilB from Geobacter metallireducens: C2ccocco conformation
Descriptor: Type IV pilus biogenesis ATPase PilB
Authors:McCallum, M, Howell, P.L.
Deposit date:2019-04-16
Release date:2019-11-20
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Multiple conformations facilitate PilT function in the type IV pilus.
Nat Commun, 10, 2019
6P9E
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BU of 6p9e by Molmil
Crystal structure of IL-36gamma complexed to A-552
Descriptor: (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma
Authors:Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E.
Deposit date:2019-06-10
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
6OK2
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PilT4 from Geobacter metallireducens bound to ADP: C3ocococ conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Twitching motility pilus retraction ATPase
Authors:McCallum, M, Howell, P.L.
Deposit date:2019-04-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.287 Å)
Cite:Multiple conformations facilitate PilT function in the type IV pilus.
Nat Commun, 10, 2019
6OLL
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BU of 6oll by Molmil
CryoEM structure of PilT4 from Geobacter metallireducens without adding nucleotide: C2oocooc conformation
Descriptor: Twitching motility pilus retraction ATPase
Authors:McCallum, M, Howell, P.L.
Deposit date:2019-04-16
Release date:2019-11-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Multiple conformations facilitate PilT function in the type IV pilus.
Nat Commun, 10, 2019
6FY2
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BU of 6fy2 by Molmil
Crystal structure of a V2p-reactive RV144 vaccine-like antibody, CAP228-16H, in complex with a heterologous CAP225 V1V2
Descriptor: CAP225 Scaffolded V1V2, CAP228-16H Heavy Chain, CAP228-16H Light Chain, ...
Authors:Wibmer, C.K, Moore, P.L, Morris, L.
Deposit date:2018-03-10
Release date:2018-09-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Common helical V1V2 conformations of HIV-1 Envelope expose the alpha 4 beta 7 binding site on intact virions.
Nat Commun, 9, 2018
6OJZ
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BU of 6ojz by Molmil
PilT4 from Geobacter metallireducens bound to ADP with partial occupancy: C3ocococ conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Twitching motility pilus retraction ATPase
Authors:McCallum, M, Howell, P.L.
Deposit date:2019-04-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.027 Å)
Cite:Multiple conformations facilitate PilT function in the type IV pilus.
Nat Commun, 10, 2019
7ZUI
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BU of 7zui by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 5Az - Streptococcus pneumoniae R6
Descriptor: 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A.
Deposit date:2022-05-12
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
7ZUK
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BU of 7zuk by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 7Az - Streptococcus pneumoniae R6
Descriptor: 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A.
Deposit date:2022-05-12
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
7ZUJ
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BU of 7zuj by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 6Az - Streptococcus pneumoniae R6
Descriptor: 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A.
Deposit date:2022-05-12
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
7ZUH
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BU of 7zuh by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) Streptococcus pneumoniae R6
Descriptor: CHLORIDE ION, MAGNESIUM ION, Penicillin-binding protein 1b
Authors:Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A.
Deposit date:2022-05-12
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
7ZUL
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BU of 7zul by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with 8Az lactone - Streptococcus pneumoniae R6
Descriptor: 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, Penicillin-binding protein 1b
Authors:Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A.
Deposit date:2022-05-12
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.744 Å)
Cite:Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
6FY3
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BU of 6fy3 by Molmil
Crystal structure of a V2-directed, RV144 vaccine-like antibody from HIV-1 infection, CAP228-3D, bound to a heterologous V2 peptide
Descriptor: CAP228-3D Heavy Chain, CAP228-3D Light Chain, CAP45 V2 peptide
Authors:Wibmer, C.K, Moore, P.L, Morris, L.
Deposit date:2018-03-10
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Common helical V1V2 conformations of HIV-1 Envelope expose the alpha 4 beta 7 binding site on intact virions.
Nat Commun, 9, 2018
7BGJ
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C. thermophilum Pyruvate Dehydrogenase Complex Core
Descriptor: Acetyltransferase component of pyruvate dehydrogenase complex
Authors:Tueting, C, Kastritis, P.L.
Deposit date:2021-01-07
Release date:2021-02-10
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Integrative structure of a 10-megadalton eukaryotic pyruvate dehydrogenase complex from native cell extracts.
Cell Rep, 34, 2021
6FY0
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BU of 6fy0 by Molmil
Crystal structure of a V2-directed, RV144 vaccine-like antibody from HIV-1 infection, CAP228-16H, bound to a heterologous V2 peptide
Descriptor: CAP228-16H Heavy Chain, CAP228-16H Light Chain, CAP45 V2 peptide, ...
Authors:Wibmer, C.K, Fernandes, M, Vijayakumar, B, Dirr, H.W, Sayed, Y, Moore, P.L, Morris, L.
Deposit date:2018-03-10
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:V2-Directed Vaccine-like Antibodies from HIV-1 Infection Identify an Additional K169-Binding Light Chain Motif with Broad ADCC Activity.
Cell Rep, 25, 2018
6FY1
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Crystal structure of a V2p-reactive RV144 vaccine-like antibody, CAP228-16H, in complex with a scaffolded autologous V1V2
Descriptor: CAP228 Autologous Scaffolded V1V2, CAP228-16H Heavy Chain, CAP228-16H Light Chain
Authors:Wibmer, C.K, Moore, P.L, Morris, L.
Deposit date:2018-03-10
Release date:2018-10-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.132 Å)
Cite:Common helical V1V2 conformations of HIV-1 Envelope expose the alpha 4 beta 7 binding site on intact virions.
Nat Commun, 9, 2018
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:2024-05-22
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
3O4V
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BU of 3o4v by Molmil
Crystal structure of E. coli MTA/SAH nucleosidase in complex with (4-Chlorophenyl)thio-DADMe-ImmA
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Siu, K.K.W, Howell, P.L.
Deposit date:2010-07-27
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of E. coli MTA/SAH nucleosidase in complex with (4-Chlorophenyl)thio-DADMe-ImmA
To be Published

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