4TYF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tyf by Molmil](/molmil-images/mine/4tyf) | Structure of a Metallo-beta-lactamase | Descriptor: | NDM-4, ZINC ION | Authors: | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-07-08 | Release date: | 2015-07-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure of a Metallo-beta-lactamase To Be Published
|
|
4TYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tyt by Molmil](/molmil-images/mine/4tyt) | Crystal Structure of BcII metallo-beta-lactamase in complex with ML302F | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase 2, GLYCEROL, ... | Authors: | Brem, J, van Berkel, S.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-07-09 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition. Nat.Chem., 6, 2014
|
|
4TZB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tzb by Molmil](/molmil-images/mine/4tzb) | Structure of NDM-Metallo-beta-lactamase | Descriptor: | CADMIUM ION, COBALT (II) ION, Metallo-beta-lactamase, ... | Authors: | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-07-09 | Release date: | 2015-07-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | Structure of Metallo-beta-lactamase To Be Published
|
|
5FQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fqa by Molmil](/molmil-images/mine/5fqa) | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II | Descriptor: | 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ... | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2015-12-08 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Use of ferrous iron by metallo-beta-lactamases. J. Inorg. Biochem., 163, 2016
|
|
5FQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fq9 by Molmil](/molmil-images/mine/5fq9) | Crystal structure of the OXA10 with 1C | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... | Authors: | Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J. | Deposit date: | 2015-12-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
|
|
5J8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j8x by Molmil](/molmil-images/mine/5j8x) | CRYSTAL STRUCTURE OF E. COLI PBP5 WITH 2C | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, D-alanyl-D-alanine carboxypeptidase DacA | Authors: | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | Deposit date: | 2016-04-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
|
|
2A7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a7k by Molmil](/molmil-images/mine/2a7k) | carboxymethylproline synthase (CarB) from pectobacterium carotovora, apo enzyme | Descriptor: | CarB | Authors: | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | Deposit date: | 2005-07-05 | Release date: | 2005-08-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis. J.Biol.Chem., 280, 2005
|
|
2A81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a81 by Molmil](/molmil-images/mine/2a81) | carboxymethylproline synthase (CarB) from pectobacterium carotovora, complexed with acetyl CoA and bicine | Descriptor: | ACETYL COENZYME *A, BICINE, CarB | Authors: | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | Deposit date: | 2005-07-07 | Release date: | 2005-08-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis. J.Biol.Chem., 280, 2005
|
|
3T4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t4h by Molmil](/molmil-images/mine/3t4h) | Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ... | Authors: | Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-07-26 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase. J.Med.Chem., 55, 2012
|
|
3RVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rvh by Molmil](/molmil-images/mine/3rvh) | Crystal Structure of JMJD2A Complexed with Inhibitor | Descriptor: | 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid, GLYCEROL, Lysine-specific demethylase 4A, ... | Authors: | King, O.N.F, Maloney, D.J, Tumber, A, Rai, G, Jadhav, A, Clifton, I.J, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Crystal Structure of JMJD2A Complexed with Inhibitor To be Published
|
|
3T3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t3y by Molmil](/molmil-images/mine/3t3y) | |
3T4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t4v by Molmil](/molmil-images/mine/3t4v) | Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ... | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-07-26 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.732 Å) | Cite: | Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase. J.Med.Chem., 55, 2012
|
|
3U4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u4s by Molmil](/molmil-images/mine/3u4s) | Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine | Descriptor: | HISTONE 3 TAIL ANALOG (T11C Peptide), Lysine-specific demethylase 4A, N-(carboxycarbonyl)-D-cysteine, ... | Authors: | Ma, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-10-10 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
6EUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eum by Molmil](/molmil-images/mine/6eum) | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | Descriptor: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
6EW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ew3 by Molmil](/molmil-images/mine/6ew3) | Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J. | Deposit date: | 2017-11-03 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
6EWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ewe by Molmil](/molmil-images/mine/6ewe) | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | Descriptor: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-11-03 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
4CHL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4chl by Molmil](/molmil-images/mine/4chl) | Human Ethylmalonic Encephalopathy Protein 1 (hETHE1) | Descriptor: | FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL | Authors: | Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-12-03 | Release date: | 2014-12-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy. Hum. Mol. Genet., 24, 2015
|
|
4GD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gd4 by Molmil](/molmil-images/mine/4gd4) | Crystal Structure of JMJD2A Complexed with Inhibitor | Descriptor: | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ... | Authors: | King, O.N.F, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, McDonough, M.A, Schofield, C.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-07-31 | Release date: | 2012-08-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structure of JMJD2A Complexed with Inhibitor TO BE PUBLISHED
|
|
4IW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iw3 by Molmil](/molmil-images/mine/4iw3) | Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H) in complex with elongation factor Tu (EF-Tu) | Descriptor: | Elongation factor Tu-A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Scotti, J.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-01-23 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4J0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j0q by Molmil](/molmil-images/mine/4j0q) | Crystal structure of Pseudomonas putida elongation factor Tu (EF-Tu) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Elongation factor Tu-A, ... | Authors: | Scotti, J.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-01-31 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4J25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j25 by Molmil](/molmil-images/mine/4j25) | |
2Y34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y34 by Molmil](/molmil-images/mine/2y34) | |
2OPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2opw by Molmil](/molmil-images/mine/2opw) | Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo) | Descriptor: | PHYHD1 protein | Authors: | Zhang, Z, Butler, D, McDonough, M.A, Kavanagh, K.L, Bray, J.E, Ng, S.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-30 | Release date: | 2007-03-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo) To be Published
|
|
2OQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oq6 by Molmil](/molmil-images/mine/2oq6) | Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys9 | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | Authors: | Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-31 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity. Nature, 448, 2007
|
|
2OQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oq7 by Molmil](/molmil-images/mine/2oq7) | The crystal structure of JMJD2A complexed with Ni and N-oxalylglycine | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | Authors: | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-31 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity. Nature, 448, 2007
|
|