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PDB: 40 results

4UA7
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CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4UA9
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CTX-M-14 Class A Beta-Lactamase in Complex with a Boronic Acid Acylation Transition State Analog at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4UAA
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BU of 4uaa by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4UA6
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CTX-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, PHOSPHATE ION, POTASSIUM ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.79 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4DDS
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BU of 4dds by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11
Descriptor: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
Authors:Nichols, D.A, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE0
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BU of 4de0 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 16
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
Authors:Nichols, D.N, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE1
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BU of 4de1 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 18
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
Authors:Nichols, D.A, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE3
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BU of 4de3 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 4
Descriptor: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
Authors:Nichols, D.A, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DDY
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BU of 4ddy by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 10
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
Authors:Nichols, D.A, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE2
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BU of 4de2 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 12
Descriptor: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
Authors:Nichols, D.A, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
6YTF
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BU of 6ytf by Molmil
Acinetobacter baumannii ribosome-tigecycline complex - 30S subunit head
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ...
Authors:Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
Deposit date:2020-04-24
Release date:2020-09-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
7P48
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BU of 7p48 by Molmil
Staphylococcus aureus ribosome in complex with Sal(B)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Nicholson, D, Ranson, N.A, O'Neill, A.J.
Deposit date:2021-07-09
Release date:2022-02-02
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Sal-type ABC-F proteins: intrinsic and common mediators of pleuromutilin resistance by target protection in staphylococci.
Nucleic Acids Res., 50, 2022
7QEP
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BU of 7qep by Molmil
Cryo-EM structure of the ribosome from Encephalitozoon cuniculi
Descriptor: 18S ribosomal RNA, 40S RIBOSOMAL PROTEIN S10, 40S RIBOSOMAL PROTEIN S11, ...
Authors:Nicholson, D, Ranson, N.A, Melnikov, S.V.
Deposit date:2021-12-03
Release date:2022-02-09
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Adaptation to genome decay in the structure of the smallest eukaryotic ribosome
Nat Commun, 13, 2022
6YT9
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BU of 6yt9 by Molmil
Acinetobacter baumannii ribosome-tigecycline complex - 30S subunit body
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
Deposit date:2020-04-24
Release date:2020-09-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
6YSI
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BU of 6ysi by Molmil
Acinetobacter baumannii ribosome-tigecycline complex - 50S subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
Deposit date:2020-04-22
Release date:2020-09-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
6YHS
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BU of 6yhs by Molmil
Acinetobacter baumannii ribosome-amikacin complex - 50S subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
Deposit date:2020-03-30
Release date:2020-09-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
6YPU
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BU of 6ypu by Molmil
Acinetobacter baumannii ribosome-amikacin complex - 30S subunit body
Descriptor: (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, 16S ribosomal RNA, 30S ribosomal protein S11, ...
Authors:Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
6YS5
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BU of 6ys5 by Molmil
Acinetobacter baumannii ribosome-amikacin complex - 30S subunit head
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ...
Authors:Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
Deposit date:2020-04-21
Release date:2020-09-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
5TVN
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BU of 5tvn by Molmil
Crystal structure of the LSD-bound 5-HT2B receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ...
Authors:Wacker, D, Wang, S, McCorvy, J.D, Betz, R.M, Venkatakrishnan, A.J, Levit, A, Lansu, K, Schools, Z.L, Che, T, Nichols, D.E, Shoichet, B.K, Dror, R.O, Roth, B.L.
Deposit date:2016-11-09
Release date:2017-02-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of an LSD-Bound Human Serotonin Receptor.
Cell, 168, 2017
6D7H
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BU of 6d7h by Molmil
CTX-M-14 Apoenzyme
Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
Authors:Kemp, M, Nichols, D, Chen, Y.
Deposit date:2018-04-24
Release date:2019-07-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
6D7I
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BU of 6d7i by Molmil
CTX-M-14 Apoenzyme D233N Point Mutant
Descriptor: Beta-lactamase
Authors:Kemp, M, Nichols, D, Chen, Y.
Deposit date:2018-04-24
Release date:2019-07-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
5K9N
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BU of 5k9n by Molmil
Structural and Mechanistic Analysis of Drosophila melanogaster Polyamine N acetyltransferase, an enzyme that Catalyzes the Formation of N acetylagmatine
Descriptor: Polyamine N acetyltransferase
Authors:Dempsey, D.R, Nichols, D.A, Battistini, M.R, Pemberton, O, Ospina, S.R, Zhang, X, Carpenter, A.-M, Chen, Y, Merkler, D.J.
Deposit date:2016-06-01
Release date:2017-06-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Analysis of Drosophila melanogaster Agmatine N-Acetyltransferase, an Enzyme that Catalyzes the Formation of N-Acetylagmatine.
Sci Rep, 7, 2017
4UX6
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BU of 4ux6 by Molmil
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ...
Authors:Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
Deposit date:2014-08-19
Release date:2014-10-08
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
2Y37
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BU of 2y37 by Molmil
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Descriptor: 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
Deposit date:2010-12-19
Release date:2011-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
3E6L
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BU of 3e6l by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C132283
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, 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, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-15
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008

 

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