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
|
|
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
|
|
5FQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fqb by Molmil](/molmil-images/mine/5fqb) | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase 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, BETA-LACTAMASE 2, GLYCEROL, ... | 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 (1.899 Å) | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
|
|
6F4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f4q by Molmil](/molmil-images/mine/6f4q) | Human JMJD5 (Q275C) in complex with Mn(II), NOG and RPS6-A138C (129-144) (complex-2) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, GLYCEROL, ... | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | Deposit date: | 2017-11-29 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | JMJD5 is a human arginyl C-3 hydroxylase. Nat Commun, 9, 2018
|
|
5FWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fwe by Molmil](/molmil-images/mine/5fwe) | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H4(1-15)R3me2s PEPTIDE | Descriptor: | CHLORIDE ION, GLYCEROL, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | Authors: | Chowdhury, R, Walport, L.J, Schofield, C.J. | Deposit date: | 2016-02-15 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Arginine Demethylation is Catalysed by a Subset of Jmjc Histone Lysine Demethylases. Nat.Commun., 7, 2016
|
|
1GVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gvg by Molmil](/molmil-images/mine/1gvg) | Crystal Structure of Clavaminate Synthase with Nitric Oxide | Descriptor: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, DEOXYGUANIDINOPROCLAVAMINIC ACID, ... | Authors: | Zhang, Z.H, Ren, J, McKinnon, C.H, Clifton, I.J, Harlos, K, Schofield, C.J. | Deposit date: | 2002-02-12 | Release date: | 2003-02-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal Structure of a Clavaminate Synthase-Fe(II) -2-Oxoglutarate-Substrate-No Complex: Evidence for Metal Centered Rearrangements FEBS Lett., 517, 2002
|
|
1HB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hb0 by Molmil](/molmil-images/mine/1hb0) | Snapshots of serine protease catalysis: (D) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 2 minutes | Descriptor: | CALCIUM ION, ELASTASE 1, SULFATE ION | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | Deposit date: | 2001-04-10 | Release date: | 2001-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
|
|
1HAY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hay by Molmil](/molmil-images/mine/1hay) | Snapshots of serine protease catalysis: (B) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 10 seconds | Descriptor: | CALCIUM ION, ELASTASE 1, SULFATE ION | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | Deposit date: | 2001-04-10 | Release date: | 2001-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
|
|
1HAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hax by Molmil](/molmil-images/mine/1hax) | Snapshots of serine protease catalysis: (A) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 at pH 5 | Descriptor: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ... | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | Deposit date: | 2001-04-10 | Release date: | 2001-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
|
|
4PVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pvo by Molmil](/molmil-images/mine/4pvo) | Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ... | Authors: | Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-03-18 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition. Nat.Chem., 6, 2014
|
|
4QHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qho by Molmil](/molmil-images/mine/4qho) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with CCO10 | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine, ZINC ION | Authors: | Aik, W.S, Clunie-O'Connor, C, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-05-28 | Release date: | 2015-06-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors. J.Med.Chem., 64, 2021
|
|
4IE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ie7 by Molmil](/molmil-images/mine/4ie7) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with citrate and rhein (RHN) | Descriptor: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, CITRATE ANION, ... | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2012-12-13 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6004 Å) | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO) J.Med.Chem., 56, 2013
|
|
6YVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yvw by Molmil](/molmil-images/mine/6yvw) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with monocyclic BB-328 | Descriptor: | 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid, Egl nine homolog 1, FE (III) ION, ... | Authors: | Chowdhury, R, Banerji, B, Schofield, C.J. | Deposit date: | 2020-04-28 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2. Sci Rep, 10, 2020
|
|
6YW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yw1 by Molmil](/molmil-images/mine/6yw1) | |
4IE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ie4 by Molmil](/molmil-images/mine/4ie4) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with 5-carboxy-8-hydroxyquinoline (IOX1) | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ... | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2012-12-13 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5048 Å) | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO) J.Med.Chem., 56, 2013
|
|
6YVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yvz by Molmil](/molmil-images/mine/6yvz) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic JLS-367 | Descriptor: | 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid, BICARBONATE ION, Egl nine homolog 1, ... | Authors: | Chowdhury, R, Sorensen, J.L, Schofield, C.J. | Deposit date: | 2020-04-29 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2. Sci Rep, 10, 2020
|
|
6YW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yw0 by Molmil](/molmil-images/mine/6yw0) | |
6YVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yvx by Molmil](/molmil-images/mine/6yvx) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287 | Descriptor: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ... | Authors: | Chowdhury, R, Banerji, B, Schofield, C.J. | Deposit date: | 2020-04-28 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2. Sci Rep, 10, 2020
|
|
6YW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yw4 by Molmil](/molmil-images/mine/6yw4) | |
4IE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ie5 by Molmil](/molmil-images/mine/4ie5) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(3-hydroxypyridin-2-yl)carbonyl]glycine (MD6) | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine, ... | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2012-12-13 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO) J.Med.Chem., 56, 2013
|
|
4IE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ie0 by Molmil](/molmil-images/mine/4ie0) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA) | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2012-12-13 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO) J.Med.Chem., 56, 2013
|
|
6YW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yw2 by Molmil](/molmil-images/mine/6yw2) | |
6YW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yw3 by Molmil](/molmil-images/mine/6yw3) | |
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) | |