6SEC
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![BU of 6sec by Molmil](/molmil-images/mine/6sec) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cBon complex with ONPG | Descriptor: | 2-nitrophenyl beta-D-galactopyranoside, ACETATE ION, Beta-galactosidase, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2019-07-29 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.768 Å) | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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8PWZ
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![BU of 8pwz by Molmil](/molmil-images/mine/8pwz) | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadBD from Mycobacterium tuberculosis | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadB, UPF0336 protein Rv0504c | Authors: | Rima, J, Grimoire, Y, Bories, P, Bardou, F, Quemard, A, Bon, C, Mourey, L, Tranier, S. | Deposit date: | 2023-07-22 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.00196719 Å) | Cite: | HadBD dehydratase from Mycobacterium tuberculosis fatty acid synthase type II: A singular structure for a unique function. Protein Sci., 33, 2024
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5MB5
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![BU of 5mb5 by Molmil](/molmil-images/mine/5mb5) | |
1JY5
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![BU of 1jy5 by Molmil](/molmil-images/mine/1jy5) | RNase-related protein from Calystegia sepium | Descriptor: | CalsepRRP | Authors: | Rabijns, A, Verboven, C, Rouge, P, Barre, A, Van Damme, E.J.M, Peumans, W.J, De Ranter, C.J. | Deposit date: | 2001-09-11 | Release date: | 2002-04-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of an RNase-related protein from Calystegia sepium. Acta Crystallogr.,Sect.D, 58, 2002
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6SE8
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![BU of 6se8 by Molmil](/molmil-images/mine/6se8) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Beta-galactosidase, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2019-07-29 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.835 Å) | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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6SEA
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![BU of 6sea by Molmil](/molmil-images/mine/6sea) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in deep mode | Descriptor: | ACETATE ION, Beta-galactosidase, SODIUM ION, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2019-07-29 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.869 Å) | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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6SET
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![BU of 6set by Molmil](/molmil-images/mine/6set) | X-ray structure of the gold/lysozyme adduct formed upon 3 days exposure of protein crystals to compound 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | Deposit date: | 2019-07-30 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme. Dalton Trans, 48, 2019
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4CWP
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![BU of 4cwp by Molmil](/molmil-images/mine/4cwp) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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1JO8
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![BU of 1jo8 by Molmil](/molmil-images/mine/1jo8) | Structural analysis of the yeast actin binding protein Abp1 SH3 domain | Descriptor: | ACTIN BINDING PROTEIN, SULFATE ION | Authors: | Fazi, B, Cope, M.J, Douangamath, A, Ferracuti, S, Schirwitz, K, Zucconi, A, Drubin, D.G, Wilmanns, M, Cesareni, G, Castagnoli, L. | Deposit date: | 2001-07-27 | Release date: | 2002-03-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Unusual binding properties of the SH3 domain of the yeast actin-binding protein Abp1: structural and functional analysis. J.Biol.Chem., 277, 2002
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5MRB
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![BU of 5mrb by Molmil](/molmil-images/mine/5mrb) | Crystal structure of human Mps1 (TTK) in complex with Cpd-5 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity protein kinase TTK, ... | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-12-22 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures. J. Biol. Chem., 292, 2017
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6SE9
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![BU of 6se9 by Molmil](/molmil-images/mine/6se9) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in shallow mode | Descriptor: | ACETATE ION, Beta-galactosidase, FORMIC ACID, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2019-07-29 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.965 Å) | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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4CWO
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![BU of 4cwo by Molmil](/molmil-images/mine/4cwo) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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8UWP
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![BU of 8uwp by Molmil](/molmil-images/mine/8uwp) | Crystal structure of SETDB1 Tudor domain in complex with MR46747 | Descriptor: | (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-07 | Release date: | 2023-11-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of SETDB1 Tudor domain in complex with MR46747 To be published
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7B38
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![BU of 7b38 by Molmil](/molmil-images/mine/7b38) | Torpedo californica acetylcholinesterase complexed with Mg+2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L. | Deposit date: | 2020-11-29 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif. Protein Sci., 30, 2021
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7B2W
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![BU of 7b2w by Molmil](/molmil-images/mine/7b2w) | Torpedo californica acetylcholinesterase complexed with UO2 | Descriptor: | Acetylcholinesterase, URANYL (VI) ION | Authors: | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L. | Deposit date: | 2020-11-28 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif. Protein Sci., 30, 2021
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8UZ7
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![BU of 8uz7 by Molmil](/molmil-images/mine/8uz7) | Crystal structure of a novel triose phosphate isomerase identified on the shrimp transcriptome | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Triosephosphate isomerase | Authors: | Sotelo-Mundo, R.R, Gomez-Yanes, A.C, Lopez-Zavala, A.A, Lopez-Garcia, J.A, Ochoa-Leyva, A. | Deposit date: | 2023-11-14 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a novel triose phosphate isomerase from shrimp To Be Published
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5MB0
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![BU of 5mb0 by Molmil](/molmil-images/mine/5mb0) | Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin | Descriptor: | 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2016-11-07 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.149 Å) | Cite: | Comparison of cocktail versus single soaking experimets To Be Published
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8PY3
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![BU of 8py3 by Molmil](/molmil-images/mine/8py3) | Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide, ... | Authors: | Friedrich, F, Colcerasa, A, Einsle, O, Jung, M. | Deposit date: | 2023-07-24 | Release date: | 2024-06-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Activity Studies of 1,2,4-Oxadiazoles for the Inhibition of the NAD + -Dependent Lysine Deacylase Sirtuin 2. J.Med.Chem., 67, 2024
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8V1P
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![BU of 8v1p by Molmil](/molmil-images/mine/8v1p) | CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092 | Descriptor: | Glucose-induced degradation protein 4 homolog, N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide | Authors: | Dong, C, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-21 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092 To be published
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2K0Z
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![BU of 2k0z by Molmil](/molmil-images/mine/2k0z) | Solution NMR structure of protein hp1203 from Helicobacter pylori 26695. Northeast Structural Genomics Consortium (NESG) target PT1/Ontario Center for Structural Proteomics target hp1203 | Descriptor: | Uncharacterized protein hp1203 | Authors: | Wu, B, Yee, A, Lemak, A, Cort, J, Semest, A, Kenney, M.A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-02-18 | Release date: | 2008-03-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of protein hp1203 from Helicobacter pylori 26695. Northeast Structural Genomics Consortium (NESG) target PT1/Ontario Center for Structural Proteomics target hp1203. To be Published
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6SEU
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![BU of 6seu by Molmil](/molmil-images/mine/6seu) | X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 2 | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | Deposit date: | 2019-07-30 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme. Dalton Trans, 48, 2019
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5UE6
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![BU of 5ue6 by Molmil](/molmil-images/mine/5ue6) | Structure of nitrite reductase AniA from Neisseria gonorrhoeae, space group I4122 | Descriptor: | COPPER (II) ION, Nitrite reductase, SODIUM ION | Authors: | Hamza, A, Williamson, Z.A, Reed, R.W, Sikora, A.E, Korotkov, K.V. | Deposit date: | 2016-12-29 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Peptide Inhibitors Targeting the Neisseria gonorrhoeae Pivotal Anaerobic Respiration Factor AniA. Antimicrob. Agents Chemother., 61, 2017
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3CEY
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![BU of 3cey by Molmil](/molmil-images/mine/3cey) | Crystal structure of L3MBTL2 | Descriptor: | Lethal(3)malignant brain tumor-like 2 protein | Authors: | Nady, N, Guo, Y, Pan, P, Allali-Hassani, A, Qi, C, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Bochkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-29 | Release date: | 2008-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2. Nucleic Acids Res., 37, 2009
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6SA6
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![BU of 6sa6 by Molmil](/molmil-images/mine/6sa6) | DARPin-Armadillo fusion A5 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DARPin-Armadillo fusion A5 | Authors: | Ernst, P, Honegger, A, van der Valk, F, Ewald, C, Mittl, P.R.E, Pluckthun, A. | Deposit date: | 2019-07-16 | Release date: | 2019-11-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Rigid fusions of designed helical repeat binding proteins efficiently protect a binding surface from crystal contacts. Sci Rep, 9, 2019
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5MJQ
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![BU of 5mjq by Molmil](/molmil-images/mine/5mjq) | Single-shot pink beam serial crystallography: Phycocyanin (One chip) | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | Deposit date: | 2016-12-01 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Pink-beam serial crystallography. Nat Commun, 8, 2017
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