2IWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2iwt by Molmil](/molmil-images/mine/2iwt) | Thioredoxin h2 (HvTrxh2) in a mixed disulfide complex with the target protein BASI | Descriptor: | ALPHA-AMYLASE/SUBTILISIN INHIBITOR, CITRATE ANION, THIOREDOXIN H ISOFORM 2 | Authors: | Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A. | Deposit date: | 2006-07-04 | Release date: | 2006-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Target Protein Recognition by the Protein Disulfide Reductase Thioredoxin. Structure, 14, 2006
|
|
7BZL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bzl by Molmil](/molmil-images/mine/7bzl) | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol | Descriptor: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | Authors: | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | Deposit date: | 2020-04-28 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6H8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h8x by Molmil](/molmil-images/mine/6h8x) | Beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with magnesium trifluoride to 1.8 A. | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ACETATE ION, ... | Authors: | Robertson, A.J, Bisson, C, Waltho, J.P. | Deposit date: | 2018-08-03 | Release date: | 2020-08-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase. To Be Published
|
|
7C23
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c23 by Molmil](/molmil-images/mine/7c23) | Crystal structure of CrmE10, a SGNH-hydrolase family esterase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Li, Z, Li, J. | Deposit date: | 2020-05-07 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
|
|
4ZXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zxu by Molmil](/molmil-images/mine/4zxu) | 2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289 | Descriptor: | Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-20 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | 2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289. To be Published
|
|
7BU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bu3 by Molmil](/molmil-images/mine/7bu3) | Structure of alcohol dehydrogenase YjgB in complex with NADP from Escherichia coli | Descriptor: | ASPARTIC ACID, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Nguyen, G.T, Kim, Y.-G, Ahn, J.-W, Chang, J.H. | Deposit date: | 2020-04-03 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Broad Substrate Selectivity of Alcohol Dehydrogenase YjgB from Escherichia coli . Molecules, 25, 2020
|
|
7BYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7byx by Molmil](/molmil-images/mine/7byx) | Crystal structure of exo-beta-1,3-galactanase from Phanerochaete chrysosporium Pc1,3Gal43A E208A with beta-1,3-galactotriose | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Matsuyama, K, Ishida, T, Kishine, N, Fujimoto, Z, Igarashi, K, Kaneko, S. | Deposit date: | 2020-04-24 | Release date: | 2020-11-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Unique active-site and subsite features in the arabinogalactan-degrading GH43 exo-beta-1,3-galactanase from Phanerochaete chrysosporium . J.Biol.Chem., 295, 2020
|
|
2HYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hyo by Molmil](/molmil-images/mine/2hyo) | Crystal structure of Rv0805 N97A mutant | Descriptor: | FE (III) ION, MANGANESE (II) ION, Rv0805N97A | Authors: | Shenoy, A.R, Capuder, M, Draskovic, P, Lamba, D, Visweswariah, S.S, Podobnik, M. | Deposit date: | 2006-08-07 | Release date: | 2006-12-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and Biochemical Analysis of the Rv0805 Cyclic Nucleotide Phosphodiesterase from Mycobacterium tuberculosis. J.Mol.Biol., 365, 2007
|
|
6TP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tp2 by Molmil](/molmil-images/mine/6tp2) | |
6T2U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t2u by Molmil](/molmil-images/mine/6t2u) | Cryo-EM structure of the RecBCD in complex with Chi-minus2 substrate | Descriptor: | DNA (Chi-minus2), RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ... | Authors: | Cheng, K, Wilkinson, M, Wigley, D.B. | Deposit date: | 2019-10-09 | Release date: | 2020-01-01 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A conformational switch in response to Chi converts RecBCD from phage destruction to DNA repair. Nat.Struct.Mol.Biol., 27, 2020
|
|
5AEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aee by Molmil](/molmil-images/mine/5aee) | A bacterial protein structure in glycoside hydrolase family 31 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-nitrophenyl alpha-D-6-sulfoquinovoside, ALPHA-GLUCOSIDASE YIHQ, ... | Authors: | Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D. | Deposit date: | 2015-08-28 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol., 12, 2016
|
|
5AED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aed by Molmil](/molmil-images/mine/5aed) | A bacterial protein structure in glycoside hydrolase family 31 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-GLUCOSIDASE YIHQ, CALCIUM ION | Authors: | Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D. | Deposit date: | 2015-08-28 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol., 12, 2016
|
|
5A2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a2d by Molmil](/molmil-images/mine/5a2d) | |
2WBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wbj by Molmil](/molmil-images/mine/2wbj) | TCR complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DR ALPHA CHAIN, ... | Authors: | Harkiolaki, M, Holmes, S.L, Svendsen, P, Gregersen, J.W, Jensen, L.T, McMahon, R, Friese, M.A, van Boxel, G, Etzensperger, R, Tzartos, J.S, Kranc, K, Sainsbury, S, Harlos, K, Mellins, E.D, Palace, J, Esiri, M.M, van der Merwe, P.A, Jones, E.Y, Fugger, L. | Deposit date: | 2009-03-02 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | T Cell-Mediated Autoimmune Disease due to Low-Affinity Crossreactivity to Common Microbial Peptides. Immunity, 30, 2009
|
|
2HYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hyu by Molmil](/molmil-images/mine/2hyu) | Human Annexin A2 with heparin tetrasaccharide bound | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Annexin A2, CALCIUM ION | Authors: | Shao, C, Head, J.F, Seaton, B.A. | Deposit date: | 2006-08-07 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2. J.Biol.Chem., 281, 2006
|
|
6TE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6te5 by Molmil](/molmil-images/mine/6te5) | Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with LQ43 inhibitor compound | Descriptor: | 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ... | Authors: | Gelardi, E.L.M, Garavaglia, S. | Deposit date: | 2019-11-11 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Imidazo[1,2- a ]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells. J.Med.Chem., 63, 2020
|
|
6TEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6teg by Molmil](/molmil-images/mine/6teg) | Crystal structure of monooxygenase RutA complexed with uracil and dioxygen under 1.5 MPa / 15 bars of oxygen pressure. | Descriptor: | FLAVIN MONONUCLEOTIDE, OXYGEN MOLECULE, Pyrimidine monooxygenase RutA, ... | Authors: | Saleem-Batcha, R, Matthews, A, Teufel, R. | Deposit date: | 2019-11-11 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases. Nat.Chem.Biol., 16, 2020
|
|
5AA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aa4 by Molmil](/molmil-images/mine/5aa4) | Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide | Descriptor: | MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium | Authors: | Dominguez-Gil, T, Acebron, I, Hermoso, J.A. | Deposit date: | 2015-07-23 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa. Structure, 24, 2016
|
|
2I30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i30 by Molmil](/molmil-images/mine/2i30) | Human serum albumin complexed with myristate and salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, MYRISTIC ACID, Serum albumin | Authors: | Yang, F, Bian, C, Zhu, L, Zhao, G, Huang, Z, Huang, M. | Deposit date: | 2006-08-17 | Release date: | 2006-12-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Effect of human serum albumin on drug metabolism: Structural evidence of esterase activity of human serum albumin J.Struct.Biol., 157, 2007
|
|
2MTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mto by Molmil](/molmil-images/mine/2mto) | Non-reducible analogues of alpha-conotoxin RgIA: [2,8]-cis dicarba RgIA | Descriptor: | Alpha-conotoxin RgIA | Authors: | Chhabra, S, Robinson, S, Norton, R. | Deposit date: | 2014-08-26 | Release date: | 2014-11-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets. J.Med.Chem., 57, 2014
|
|
2XW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xw0 by Molmil](/molmil-images/mine/2xw0) | |
7ABB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7abb by Molmil](/molmil-images/mine/7abb) | |
2NQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nqt by Molmil](/molmil-images/mine/2nqt) | Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis at 1.58 A resolution | Descriptor: | N-acetyl-gamma-glutamyl-phosphate reductase | Authors: | Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2006-10-31 | Release date: | 2006-11-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+). J.Mol.Biol., 367, 2007
|
|
2I6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i6y by Molmil](/molmil-images/mine/2i6y) | Structure and Mechanism of Mycobacterium tuberculosis Salicylate Synthase, MbtI | Descriptor: | Anthranilate synthase component I, putative | Authors: | Zwahlen, J, Subramaniapillai, K, Zhou, R, Kisker, C, Tonge, P.J. | Deposit date: | 2006-08-29 | Release date: | 2007-06-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and mechanism of MbtI, the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 46, 2007
|
|
2BVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bvq by Molmil](/molmil-images/mine/2bvq) | Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression | Descriptor: | BETA-2-MICROGLOBULIN, HIV-P24, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y. | Deposit date: | 2005-07-01 | Release date: | 2005-09-07 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression. J Immunol., 175, 2005
|
|