5HG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hg2 by Molmil](/molmil-images/mine/5hg2) | Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-2-Asn35 | Descriptor: | GLYCEROL, Immunoglobulin G-binding protein G, MAGNESIUM ION | Authors: | Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S. | Deposit date: | 2016-01-07 | Release date: | 2016-02-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold. Chem.Commun.(Camb.), 52, 2016
|
|
2XXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xxj by Molmil](/molmil-images/mine/2xxj) | Penta mutant of lactate dehydrogenase from Thermus thermophilus, ternary complex | Descriptor: | L-LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID, ... | Authors: | Tickle, J, de Mendoza Barbera, E, Vellieux, F.M.D. | Deposit date: | 2010-11-10 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.964 Å) | Cite: | Lactate Dehydrogenase from T. Thermophilus, Penta- Mutant (Ternary Complex) To be Published
|
|
4JZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jzf by Molmil](/molmil-images/mine/4jzf) | Structure of factor VIIA in complex with the inhibitor 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid | Descriptor: | 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Wei, A, Anumula, R. | Deposit date: | 2013-04-02 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4JZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jze by Molmil](/molmil-images/mine/4jze) | Structure of factor VIIA in complex with the inhibitor 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid | Descriptor: | 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Wei, A, Anumula, R. | Deposit date: | 2013-04-02 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold. Bioorg.Med.Chem.Lett., 23, 2013
|
|
5I2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i2z by Molmil](/molmil-images/mine/5i2z) | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24). | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | Deposit date: | 2016-02-09 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. Chemmedchem, 11, 2016
|
|
4JZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jzd by Molmil](/molmil-images/mine/4jzd) | Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid | Descriptor: | 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Jacobson, B.L, Anumula, R. | Deposit date: | 2013-04-02 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4Z43
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z43 by Molmil](/molmil-images/mine/4z43) | Crystal structure of Tryptophan 7-halogenase (PrnA) Mutant E450K | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ... | Authors: | Levy, C.W. | Deposit date: | 2015-04-01 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes. Chem Sci, 6, 2015
|
|
1VAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vad by Molmil](/molmil-images/mine/1vad) | |
5IGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5igm by Molmil](/molmil-images/mine/5igm) | Crystal structure of the bromodomain of human BRD9 in complex with bromosporine (BSP) | Descriptor: | Bromodomain-containing protein 9, Bromosporine | Authors: | Tallant, C, Filippakopoulos, P, Picaud, S, Nunez-Alonso, G, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-28 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia. Sci Adv, 2, 2016
|
|
5WUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wuy by Molmil](/molmil-images/mine/5wuy) | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution | Descriptor: | Chorismate synthase | Authors: | Iqbal, N, Chaudhary, A, Shukla, K.P, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-12-21 | Release date: | 2017-01-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution To Be Published
|
|
6RSL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rsl by Molmil](/molmil-images/mine/6rsl) | |
5WDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wds by Molmil](/molmil-images/mine/5wds) | Choanoflagellate Salpingoeca rosetta Ras with GDP bound | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kondo, Y, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
|
|
5I43
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i43 by Molmil](/molmil-images/mine/5i43) | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32). | Descriptor: | (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | Deposit date: | 2016-02-11 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. Chemmedchem, 11, 2016
|
|
6JGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jgb by Molmil](/molmil-images/mine/6jgb) | Crystal structure of barley exohydrolaseI W286F mutant in complex with methyl 6-thio-beta-gentiobioside | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | Deposit date: | 2019-02-13 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
|
|
6JGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jgq by Molmil](/molmil-images/mine/6jgq) | Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 2-thio-beta-sophoroside. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ... | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | Deposit date: | 2019-02-14 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
|
|
5V8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v8e by Molmil](/molmil-images/mine/5v8e) | Structure of Bacillus cereus PatB1 | Descriptor: | Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | Deposit date: | 2017-03-21 | Release date: | 2017-10-18 | Last modified: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides. Nat. Chem. Biol., 14, 2018
|
|
6RSK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rsk by Molmil](/molmil-images/mine/6rsk) | |
6S6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s6z by Molmil](/molmil-images/mine/6s6z) | Structure of beta-Galactosidase from Thermotoga maritima | Descriptor: | Beta-galactosidase, MAGNESIUM ION | Authors: | Miguez-Amil, S, Jimenez-Ortega, E, Ramirez Escudero, M, Sanz-Aparicio, J, Fernandez-Leiro, R. | Deposit date: | 2019-07-04 | Release date: | 2020-03-18 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | The cryo-EM Structure ofThermotoga maritimabeta-Galactosidase: Quaternary Structure Guides Protein Engineering. Acs Chem.Biol., 15, 2020
|
|
5A94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a94 by Molmil](/molmil-images/mine/5a94) | Crystal structure of beta-Glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A, form 1 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PUTATIVE RETAINING B-GLYCOSIDASE, ... | Authors: | Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L. | Deposit date: | 2015-07-17 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans J.Biol.Chem., 291, 2016
|
|
6S41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s41 by Molmil](/molmil-images/mine/6s41) | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455 | Descriptor: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Focken, T, Maskos, K, Griessner, A, Krapp, S. | Deposit date: | 2019-06-26 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy. J.Med.Chem., 62, 2019
|
|
5FA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fa1 by Molmil](/molmil-images/mine/5fa1) | The structure of the beta-3-deoxy-D-manno-oct-2-ulosonic acid transferase domain of WbbB | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Putative N-acetyl glucosaminyl transferase | Authors: | Mallette, E, Ovchinnikova, O.G, Whitfield, C, Kimber, M.S. | Deposit date: | 2015-12-10 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacterial beta-Kdo glycosyltransferases represent a new glycosyltransferase family (GT99). Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
5A8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a8n by Molmil](/molmil-images/mine/5a8n) | Crystal structure of the native form of beta-glucanase SdGluc5_26A from Saccharophagus degradans | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L. | Deposit date: | 2015-07-16 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans J.Biol.Chem., 291, 2016
|
|
5A2R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a2r by Molmil](/molmil-images/mine/5a2r) | A New Crystal Structure of the Drosophila melanogaster Angiotensin Converting Enzyme Homologue AnCE. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | Authors: | Harrison, C, Acharya, K.R. | Deposit date: | 2015-05-22 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A New High-Resolution Crystal Structure of the Drosophila Melanogaster Angiotensin Converting Enzyme Homologue, Ance. FEBS Open Bio, 5, 2015
|
|
4J7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j7w by Molmil](/molmil-images/mine/4j7w) | E3_5 DARPin L86A mutant | Descriptor: | DARPin_E3_5_L86A | Authors: | Seeger, M.A, Gruetter, M.G. | Deposit date: | 2013-02-14 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design, construction, and characterization of a second-generation DARPin library with reduced hydrophobicity. Protein Sci., 22, 2013
|
|
2H3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h3w by Molmil](/molmil-images/mine/2h3w) | Crystal structure of the S554A/M564G mutant of murine carnitine acetyltransferase in complex with hexanoylcarnitine and CoA | Descriptor: | (R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, COENZYME A, carnitine acetyltransferase | Authors: | Hsiao, Y.S, Jogl, G, Tong, L. | Deposit date: | 2006-05-23 | Release date: | 2006-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of murine carnitine acetyltransferase in ternary complexes with its substrates J.Biol.Chem., 281, 2006
|
|