6H8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h8p by Molmil](/molmil-images/mine/6h8p) | JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer) | Descriptor: | CHLORIDE ION, GLYCEROL, Histone H1.4, ... | Authors: | Chowdhury, R, Walport, L.J, Schofield, C.J. | Deposit date: | 2018-08-03 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26. FEBS Lett., 592, 2018
|
|
6YVT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yvt by Molmil](/molmil-images/mine/6yvt) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253 | Descriptor: | 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ... | Authors: | Chowdhury, R, Demetriades, M, Schofield, C.J. | Deposit date: | 2020-04-28 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.847 Å) | Cite: | Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
7A5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a5z by Molmil](/molmil-images/mine/7a5z) | Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product | Descriptor: | (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, CHLORIDE ION, ... | Authors: | Lucic, A, Schofield, C.J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
|
|
7A60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a60 by Molmil](/molmil-images/mine/7a60) | Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form) | Descriptor: | (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
|
|
7A61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a61 by Molmil](/molmil-images/mine/7a61) | Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form) | Descriptor: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
|
|
7A63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a63 by Molmil](/molmil-images/mine/7a63) | Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form) | Descriptor: | (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57000113 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
|
|
4KQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kqq by Molmil](/molmil-images/mine/4kqq) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
|
|
4KQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kqo by Molmil](/molmil-images/mine/4kqo) | Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
|
|
4KQR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kqr by Molmil](/molmil-images/mine/4kqr) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
|
|
4LIT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lit by Molmil](/molmil-images/mine/4lit) | |
4LIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4liu by Molmil](/molmil-images/mine/4liu) | Structure of YcfD, a Ribosomal oxygenase from Escherichia coli. | Descriptor: | 50S ribosomal protein L16 arginine hydroxylase, PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Brissett, N.C, Doherty, A.J, Fox, G.C. | Deposit date: | 2013-07-03 | Release date: | 2014-05-14 | Last modified: | 2014-07-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 509, 2014
|
|
1MPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mpl by Molmil](/molmil-images/mine/1mpl) | CRYSTAL STRUCTURE OF PHOSPHONATE-INHIBITED D-ALA-D-ALA PEPTIDASE REVEALS AN ANALOG OF A TETRAHEDRAL TRANSITION STATE | Descriptor: | D-alanyl-D-alanine carboxypeptidase, GLYCEROL, GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE | Authors: | Silvaggi, N.R, Anderson, J.W, Brinsmade, S.R, Pratt, R.F, Kelly, J.A. | Deposit date: | 2002-09-12 | Release date: | 2003-02-25 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | The Crystal Structure of Phosphonate-Inhibited
d-Ala-d-Ala Peptidase Reveals an Analogue of a Tetrahedral Transition State. Biochemistry, 42, 2003
|
|
2XDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xdv by Molmil](/molmil-images/mine/2xdv) | Crystal Structure of the Catalytic Domain of FLJ14393 | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ... | Authors: | Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | Deposit date: | 2010-05-07 | Release date: | 2010-05-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
|
|
2XEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xep by Molmil](/molmil-images/mine/2xep) | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | Descriptor: | CHLORIDE ION, GLYCEROL, ORF12 | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | Deposit date: | 2010-05-17 | Release date: | 2011-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
2XH9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xh9 by Molmil](/molmil-images/mine/2xh9) | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | Descriptor: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | Deposit date: | 2010-06-09 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
4DO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4do0 by Molmil](/molmil-images/mine/4do0) | Crystal Structure of human PHF8 in complex with Daminozide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DAMINOZIDE, ... | Authors: | Krojer, T, Daniel, M, Ng, S.S, Walport, L.J, Chowdhury, R, Arrowsmith, C.H, Edwards, A, Bountra, C, Kawamura, A, Muller-Knapp, S, McDonough, M.A, von Delft, F, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2012-02-09 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: |
|
|
4B7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b7k by Molmil](/molmil-images/mine/4b7k) | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-SER PEPTIDE (20-MER) | Descriptor: | CONSENSUS ANKYRIN REPEAT DOMAIN-SER, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ... | Authors: | Chowdhury, R, Ge, W, Schofield, C.J. | Deposit date: | 2012-08-20 | Release date: | 2013-01-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor. Angew. Chem. Int. Ed. Engl., 52, 2013
|
|
4BIO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bio by Molmil](/molmil-images/mine/4bio) | |
2XGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xgn by Molmil](/molmil-images/mine/2xgn) | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | Descriptor: | GLYCEROL, ORF12 | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | Deposit date: | 2010-06-07 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
2XF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xf3 by Molmil](/molmil-images/mine/2xf3) | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | Descriptor: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | Deposit date: | 2010-05-20 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
4AI9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ai9 by Molmil](/molmil-images/mine/4ai9) | JMJD2A Complexed with Daminozide | Descriptor: | CHLORIDE ION, DAMINOZIDE, GLYCEROL, ... | Authors: | Chowdhury, R, Schofield, C.J. | Deposit date: | 2012-02-08 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases. J. Med. Chem., 55, 2012
|
|
4BQX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bqx by Molmil](/molmil-images/mine/4bqx) | |
4BIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bis by Molmil](/molmil-images/mine/4bis) | JMJD2A COMPLEXED WITH 8-HYDROXYQUINOLINE-4-CARBOXYLIC ACID | Descriptor: | 8-hydroxyquinoline-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Chowdhury, R, Thinnes, C, Schofield, C.J. | Deposit date: | 2013-04-12 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | 5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation. Chem Sci, 4, 2013
|
|
4BQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bqw by Molmil](/molmil-images/mine/4bqw) | |
4BXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bxf by Molmil](/molmil-images/mine/4bxf) | |