6Q4G
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![BU of 6q4g by Molmil](/molmil-images/mine/6q4g) | CDK2 in complex with FragLite37 | Descriptor: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6T81
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![BU of 6t81 by Molmil](/molmil-images/mine/6t81) | Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide. | Descriptor: | AZIDE ION, BICINE, SODIUM ION, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-10-23 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
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6TN1
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![BU of 6tn1 by Molmil](/molmil-images/mine/6tn1) | Unliganded Crystal Structure of Recombinant GBA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2019-12-05 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis. Acta Crystallogr D Struct Biol, 76, 2020
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4FU5
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![BU of 4fu5 by Molmil](/molmil-images/mine/4fu5) | |
8RC7
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![BU of 8rc7 by Molmil](/molmil-images/mine/8rc7) | |
5HMV
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![BU of 5hmv by Molmil](/molmil-images/mine/5hmv) | Re refinement of 4mwk. | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Helliwell, J.R. | Deposit date: | 2016-01-17 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn, 3, 2016
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3AZD
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![BU of 3azd by Molmil](/molmil-images/mine/3azd) | Crystal structure of tropomyosin N-terminal fragment at 0.98A resolution | Descriptor: | short alpha-tropomyosin,transcription factor GCN4 | Authors: | Meshcheryakov, V.A, Krieger, I, Kostyukova, A.S, Samatey, F.A. | Deposit date: | 2011-05-23 | Release date: | 2011-10-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structure of a tropomyosin N-terminal fragment at 0.98 A resolution Acta Crystallogr.,Sect.D, 67, 2011
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7XFA
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![BU of 7xfa by Molmil](/molmil-images/mine/7xfa) | Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor | Descriptor: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Shukla, J, Raman, S, Ghosh, K. | Deposit date: | 2022-04-01 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3. J.Med.Chem., 65, 2022
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5RBV
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![BU of 5rbv by Molmil](/molmil-images/mine/5rbv) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D04a | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5KXV
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![BU of 5kxv by Molmil](/molmil-images/mine/5kxv) | Structure Proteinase K at 0.98 Angstroms | Descriptor: | CALCIUM ION, GLYCEROL, NITRATE ION, ... | Authors: | Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M. | Deposit date: | 2016-07-20 | Release date: | 2017-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Atomic resolution structure of serine protease proteinase K at ambient temperature. Sci Rep, 7, 2017
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5RDA
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![BU of 5rda by Molmil](/molmil-images/mine/5rda) | PanDDA analysis group deposition -- Endothiapepsin ground state model 32 | Descriptor: | Endothiapepsin | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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1UNQ
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![BU of 1unq by Molmil](/molmil-images/mine/1unq) | High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase B/Akt Bound To Ins(1,3,4,5)-Tetrakisphophate | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE | Authors: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2003-09-12 | Release date: | 2004-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change. Biochem. J., 375, 2003
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5RD8
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![BU of 5rd8 by Molmil](/molmil-images/mine/5rd8) | PanDDA analysis group deposition -- Endothiapepsin ground state model 30 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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1YLJ
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![BU of 1ylj by Molmil](/molmil-images/mine/1ylj) | Atomic resolution structure of CTX-M-9 beta-lactamase | Descriptor: | SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-9a | Authors: | Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-19 | Release date: | 2005-04-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability. J.Mol.Biol., 348, 2005
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6K9J
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5RDX
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![BU of 5rdx by Molmil](/molmil-images/mine/5rdx) | PanDDA analysis group deposition -- Endothiapepsin ground state model 54 | Descriptor: | Endothiapepsin | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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6Z7I
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![BU of 6z7i by Molmil](/molmil-images/mine/6z7i) | Crystal structure of CTX-M-15 E166Q mutant apoenzyme | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2020-05-31 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 2022
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7G1L
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![BU of 7g1l by Molmil](/molmil-images/mine/7g1l) | Crystal Structure of human FABP4 in complex with 6-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-1,2,4-triazin-5-ol | Descriptor: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanyl-1,2,4-triazin-5-ol, FORMIC ACID, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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4WPK
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![BU of 4wpk by Molmil](/molmil-images/mine/4wpk) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form I | Descriptor: | CITRIC ACID, SODIUM ION, Uracil-DNA glycosylase | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-20 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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7V2G
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![BU of 7v2g by Molmil](/molmil-images/mine/7v2g) | The 0.98 angstrom structure of the human FABP3 Y19F mutant complexed with palmitic acid | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-08-09 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | The 0.98 angstrom structure of the human FABP3 Y19F mutant complexed with palmitic acid To Be Published
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6TX6
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![BU of 6tx6 by Molmil](/molmil-images/mine/6tx6) | |
8RBI
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4FRC
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![BU of 4frc by Molmil](/molmil-images/mine/4frc) | |
1GQV
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![BU of 1gqv by Molmil](/molmil-images/mine/1gqv) | Atomic Resolution (0.98A) Structure of Eosinophil-Derived Neurotoxin | Descriptor: | ACETATE ION, EOSINOPHIL-DERIVED NEUROTOXIN | Authors: | Swaminathan, G.J, Holloway, D.E, Veluraja, K, Acharya, K.R. | Deposit date: | 2001-12-05 | Release date: | 2002-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Atomic Resolution (0.98 A) Structure of Eosinophil-Derived Neurotoxin Biochemistry, 41, 2002
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3C78
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![BU of 3c78 by Molmil](/molmil-images/mine/3c78) | |