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PDB: 529 results

1BK0
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ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE COMPLEX)
Descriptor: FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E.
Deposit date:1998-07-14
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation.
Nature, 387, 1997
5TCB
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BU of 5tcb by Molmil
Structure of the glycoside hydrolase domain of PelA from Pseudomonas aeruginosa
Descriptor: PelA
Authors:Alnabelseya, N, Baker, P, Robinson, H, Howell, P.L.
Deposit date:2016-09-14
Release date:2017-09-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.535 Å)
Cite:Microbial glycoside hydrolases display cross-kingdom activity against bacterial and fungal biofilms
To Be Published
4ICG
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BU of 4icg by Molmil
N-terminal dimerization domain of H-NS in complex with Hha (Salmonella Typhimurium)
Descriptor: DNA-binding protein H-NS, Hemolysin expression modulating protein (Involved in environmental regulation of virulence factors)
Authors:Ali, S.S, Whitney, J.C, Stevenson, J, Robinson, H, Howell, P.L, Navarre, W.W.
Deposit date:2012-12-10
Release date:2013-03-27
Last modified:2016-05-18
Method:X-RAY DIFFRACTION (2.9217 Å)
Cite:Structural Insights into the Regulation of Foreign Genes in Salmonella by the Hha/H-NS Complex.
J.Biol.Chem., 288, 2013
5TIO
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Crystal Structure of Human Glycine Receptor alpha-3 Bound to AM-3607
Descriptor: (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Shaffer, P.L, Huang, X, Chen, H.
Deposit date:2016-10-03
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain
To Be Published
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
1BLZ
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BU of 1blz by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE-NO COMPLEX)
Descriptor: FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E.
Deposit date:1998-07-22
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation.
Nature, 387, 1997
1B7J
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BU of 1b7j by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 V20A
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
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
5T0Z
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BU of 5t0z by Molmil
PelC from Geobacter metallireducens
Descriptor: Lipoprotein, putative
Authors:Marmont, L.S, Howell, P.L.
Deposit date:2016-08-17
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:Oligomeric lipoprotein PelC guides Pel polysaccharide export across the outer membrane of Pseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5TSH
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BU of 5tsh by Molmil
PilB from Geobacter metallireducens bound to AMP-PNP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:McCallum, M, Tammam, S, Khan, A, Burrows, L, Howell, P.L.
Deposit date:2016-10-28
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The molecular mechanism of the type IVa pilus motors.
Nat Commun, 8, 2017
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
4J21
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BU of 4j21 by Molmil
Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
Descriptor: 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-04
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J3L
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BU of 4j3l by Molmil
Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Descriptor: 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-05
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
1B7K
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BU of 1b7k by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 R47H
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
1B7I
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BU of 1b7i by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 K61R
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
5UCY
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BU of 5ucy by Molmil
Cryo-EM map of protofilament of microtubule doublet
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H.
Deposit date:2016-12-22
Release date:2017-05-10
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
5UG1
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BU of 5ug1 by Molmil
Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain with methylsulfonyl adduct
Descriptor: Acyltransferase, SODIUM ION, methanesulfonic acid
Authors:Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J.
Deposit date:2017-01-06
Release date:2017-10-25
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
5UFY
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BU of 5ufy by Molmil
Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain
Descriptor: Acyltransferase, SODIUM ION
Authors:Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J.
Deposit date:2017-01-06
Release date:2017-10-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
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
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
5UBQ
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BU of 5ubq by Molmil
Cryo-EM structure of ciliary microtubule doublet
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H.
Deposit date:2016-12-21
Release date:2017-05-10
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
6FY1
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BU of 6fy1 by Molmil
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
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
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
5TSG
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BU of 5tsg by Molmil
PilB from Geobacter metallireducens bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ...
Authors:McCallum, M, Tammam, S, Khan, A, Burrows, L, Howell, P.L.
Deposit date:2016-10-28
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4011 Å)
Cite:The molecular mechanism of the type IVa pilus motors.
Nat Commun, 8, 2017

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