3O1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o1m by Molmil](/molmil-images/mine/3o1m) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-21 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
|
|
3O1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o1v by Molmil](/molmil-images/mine/3o1v) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDJ)P*AP*CP*CP*GP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
|
|
3O46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o46 by Molmil](/molmil-images/mine/3o46) | Crystal structure of the PDZ domain of MPP7 | Descriptor: | MAGUK p55 subfamily member 7, UNKNOWN ATOM OR ION | Authors: | Nedyalkova, L, Tong, Y, Tempel, W, Zhong, N, Guan, X, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-07-26 | Release date: | 2010-08-04 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of the PDZ domain of MPP7 TO BE PUBLISHED
|
|
5YYC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yyc by Molmil](/molmil-images/mine/5yyc) | Crystal structure of alanine racemase from Bacillus pseudofirmus (OF4) | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Dong, H, Hu, T.T, He, G.Z, Lu, D.R, Qi, J.X, Dou, Y.S, Long, W, He, X, Su, D, Ju, J.S. | Deposit date: | 2017-12-08 | Release date: | 2019-01-02 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural features and kinetic characterization of alanine racemase from Bacillus pseudofirmus OF4. Biochem. Biophys. Res. Commun., 497, 2018
|
|
2OVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ovx by Molmil](/molmil-images/mine/2ovx) | MMP-9 active site mutant with barbiturate inhibitor | Descriptor: | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | Deposit date: | 2007-02-15 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
|
|
9ERO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9ero by Molmil](/molmil-images/mine/9ero) | |
3KJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kjf by Molmil](/molmil-images/mine/3kjf) | Caspase 3 Bound to a covalent inhibitor | Descriptor: | (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-3 | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | Deposit date: | 2009-11-03 | Release date: | 2010-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
|
|
3O3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o3n by Molmil](/molmil-images/mine/3o3n) | (R)-2-hydroxyisocaproyl-CoA dehydratase in complex with its substrate (R)-2-hydroxyisocaproyl-CoA | Descriptor: | HYDROSULFURIC ACID, IRON/SULFUR CLUSTER, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methyl-pentanethioate, ... | Authors: | Knauer, S.H, Buckel, W, Dobbek, H. | Deposit date: | 2010-07-25 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Reductive Radical Formation and Electron Recycling in (R)-2-Hydroxyisocaproyl-CoA Dehydratase. J.Am.Chem.Soc., 133, 2011
|
|
3KJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kjn by Molmil](/molmil-images/mine/3kjn) | Caspase 8 bound to a covalent inhibitor | Descriptor: | (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8 | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | Deposit date: | 2009-11-03 | Release date: | 2010-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
|
|
1G27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g27 by Molmil](/molmil-images/mine/1g27) | CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497 | Descriptor: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE | Authors: | Clements, J.M, Beckett, P, Brown, A, Catlin, C, Lobell, M, Palan, S, Thomas, W, Whittaker, M, Baker, P.J, Rodgers, H.F, Barynin, V, Rice, D.W, Hunter, M.G. | Deposit date: | 2000-10-17 | Release date: | 2001-10-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor. Antimicrob.Agents Chemother., 45, 2001
|
|
2OW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ow0 by Molmil](/molmil-images/mine/2ow0) | MMP-9 active site mutant with iodine-labeled carboxylate inhibitor | Descriptor: | CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ... | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | Deposit date: | 2007-02-15 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
|
|
5EX3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ex3 by Molmil](/molmil-images/mine/5ex3) | Crystal structure of human SMYD3 in complex with a VEGFR1 peptide | Descriptor: | ACETIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Qiao, Q, Fu, W, Liu, N, Wang, M, Min, J, Zhu, B, Xu, R.M, Yang, N. | Deposit date: | 2015-11-23 | Release date: | 2016-03-09 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.408 Å) | Cite: | Structural Basis for Substrate Preference of SMYD3, a SET Domain-containing Protein Lysine Methyltransferase J.Biol.Chem., 291, 2016
|
|
1G2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g2p by Molmil](/molmil-images/mine/1g2p) | CRYSTAL STRUCTURE OF ADENINE PHOSPHORIBOSYLTRANSFERASE | Descriptor: | ADENINE PHOSPHORIBOSYLTRANSFERASE 1, SULFATE ION | Authors: | Shi, W, Tanaka, K.S.E, Almo, S.C, Schramm, V.L. | Deposit date: | 2000-10-20 | Release date: | 2001-12-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural analysis of adenine phosphoribosyltransferase from Saccharomyces cerevisiae. Biochemistry, 40, 2001
|
|
9ERM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9erm by Molmil](/molmil-images/mine/9erm) | |
1FYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fyd by Molmil](/molmil-images/mine/1fyd) | CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE AMP, ONE PYROPHOSPHATE ION AND ONE MG2+ ION | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) SYNTHETASE, ... | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Brouillette, W, Muccio, D, Jedrzejas, M, Brouillette, C, DeLucas, L. | Deposit date: | 2000-09-28 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis. Acta Crystallogr.,Sect.D, 57, 2001
|
|
3KLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3klk by Molmil](/molmil-images/mine/3klk) | Crystal structure of Lactobacillus reuteri N-terminally truncated glucansucrase GTF180 in triclinic apo- form | Descriptor: | CALCIUM ION, GLYCEROL, Glucansucrase | Authors: | Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W. | Deposit date: | 2009-11-08 | Release date: | 2010-11-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
5EX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ex4 by Molmil](/molmil-images/mine/5ex4) | 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with tryptophan in all three allosteric binding sites | Descriptor: | 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase, CHLORIDE ION, GLYCEROL, ... | Authors: | Reichau, S, Jiao, W, Blackmore, N.J, Hutton, R.D, Parker, E.J. | Deposit date: | 2015-11-23 | Release date: | 2015-12-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with tryptophan in all three allosteric binding sites to be published
|
|
9ERN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9ern by Molmil](/molmil-images/mine/9ern) | |
3KMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kmr by Molmil](/molmil-images/mine/3kmr) | Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | Authors: | Bourguet, W, Teyssier, C. | Deposit date: | 2009-11-11 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor. Nat.Struct.Mol.Biol., 17, 2010
|
|
1BHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bhy by Molmil](/molmil-images/mine/1bhy) | LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF P64K FROM MASC DATA | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P64K | Authors: | Ramin, M, Shepard, W, Fourme, R, Kahn, R. | Deposit date: | 1998-06-10 | Release date: | 1998-11-04 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (4.18 Å) | Cite: | Multiwavelength anomalous solvent contrast (MASC): derivation of envelope structure-factor amplitudes and comparison with model values. Acta Crystallogr.,Sect.D, 55, 1999
|
|
2OL2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ol2 by Molmil](/molmil-images/mine/2ol2) | |
3OBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3obl by Molmil](/molmil-images/mine/3obl) | |
1KX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kx6 by Molmil](/molmil-images/mine/1kx6) | |
7T6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t6d by Molmil](/molmil-images/mine/7t6d) | CryoEM structure of the YejM/LapB complex | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, Inner membrane protein YejM, ... | Authors: | Mi, W, Shu, S. | Deposit date: | 2021-12-13 | Release date: | 2022-08-17 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Regulatory mechanisms of lipopolysaccharide synthesis in Escherichia coli. Nat Commun, 13, 2022
|
|
3KH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kh4 by Molmil](/molmil-images/mine/3kh4) | |