8A65
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![BU of 8a65 by Molmil](/molmil-images/mine/8a65) | Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3 | Descriptor: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-16 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8A68
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![BU of 8a68 by Molmil](/molmil-images/mine/8a68) | Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3 | Descriptor: | 14-3-3 protein sigma, MAGNESIUM ION, RAF proto-oncogene serine/threonine-protein kinase, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-16 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8RJ4
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![BU of 8rj4 by Molmil](/molmil-images/mine/8rj4) | E. coli adenylate kinase in complex with two ADP molecules and Mg2+ as a result of enzymatic AP4A hydrolysis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, CHLORIDE ION, ... | Authors: | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2023-12-20 | Release date: | 2024-07-10 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Magnesium induced structural reorganization in the active site of adenylate kinase. Sci Adv, 10, 2024
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6Y2Z
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![BU of 6y2z by Molmil](/molmil-images/mine/6y2z) | NG domain of human SRP54 | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Signal recognition particle 54 kDa protein | Authors: | Juaire, K.D, Wild, K, Sinning, I. | Deposit date: | 2020-02-17 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia. Structure, 29, 2021
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6P8U
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![BU of 6p8u by Molmil](/molmil-images/mine/6p8u) | Structure of P. aeruginosa ATCC27853 CdnD:HORMA2:Peptide 1 complex | Descriptor: | HORMA domain containing protein, MAGNESIUM ION, Nucleotidyltransferase, ... | Authors: | Ye, Q, Corbett, K.D. | Deposit date: | 2019-06-08 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity. Mol.Cell, 77, 2020
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6EUJ
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![BU of 6euj by Molmil](/molmil-images/mine/6euj) | The GH43, Beta 1,3 Galactosidase, BT0265 | Descriptor: | Beta-glucanase | Authors: | Cartmell, A, Gilbert, H.J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-17 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation. Nat Microbiol, 3, 2018
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7POB
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![BU of 7pob by Molmil](/molmil-images/mine/7pob) | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | Deposit date: | 2021-09-08 | Release date: | 2022-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase. Acs Sustain Chem Eng, 11, 2023
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5FUX
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![BU of 5fux by Molmil](/molmil-images/mine/5fux) | catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, THYMDINE KINASE, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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7ZQU
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7POC
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![BU of 7poc by Molmil](/molmil-images/mine/7poc) | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | Deposit date: | 2021-09-08 | Release date: | 2022-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase. Acs Sustain Chem Eng, 11, 2023
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6B3K
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![BU of 6b3k by Molmil](/molmil-images/mine/6b3k) | Crystal structure of mutant Spinach RNA aptamer in complex with Fab BL3-6 | Descriptor: | Heavy chain of Fab BL3-6, Light chain of Fab BL3-6, MAGNESIUM ION, ... | Authors: | DasGupta, S, Koirala, D, Shelke, S.A, Piccirilli, J.A. | Deposit date: | 2017-09-22 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Affinity maturation of a portable Fab-RNA module for chaperone-assisted RNA crystallography. Nucleic Acids Res., 46, 2018
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5FWI
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6F3I
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![BU of 6f3i by Molmil](/molmil-images/mine/6f3i) | IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | Deposit date: | 2017-11-28 | Release date: | 2018-05-23 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4. Bioorg. Med. Chem., 26, 2018
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8A6F
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![BU of 8a6f by Molmil](/molmil-images/mine/8a6f) | Small molecule stabilizer (compound 8) for C-RAF and 14-3-3 | Descriptor: | 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-17 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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6Y7N
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![BU of 6y7n by Molmil](/molmil-images/mine/6y7n) | The crystal structure of the eight-bladed symmetrical designer protein Tako8 in the presence of tellurotungstic Anderson-Evans (TEW) | Descriptor: | Tako8 | Authors: | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | Deposit date: | 2020-03-02 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters Cryst.Growth Des., 2021
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6P98
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![BU of 6p98 by Molmil](/molmil-images/mine/6p98) | OXA-48 carbapanemase, meropenem complex | Descriptor: | Beta-lactamase, CADMIUM ION, CALCIUM ION, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2019-06-10 | Release date: | 2019-08-07 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase. Antimicrob.Agents Chemother., 63, 2019
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5FVB
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![BU of 5fvb by Molmil](/molmil-images/mine/5fvb) | CRYSTAL STRUCTURE OF PHORMIDIUM C-PHYCOERYTHRIN AT PH 5.0 | Descriptor: | C-PHYCOERYTHRIN ALPHA SUBUNIT, C-PHYCOERYTHRIN BETA SUBUNIT, GLYCEROL, ... | Authors: | Kumar, V, Sonani, R.R, Sharma, M, Gupta, G.D, Madamwar, D. | Deposit date: | 2016-02-05 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structure Analysis of C-Phycoerythrin from Marine Cyanobacterium Phormidium Sp. A09Dm. Photosynth.Res., 129, 2016
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6Y7P
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![BU of 6y7p by Molmil](/molmil-images/mine/6y7p) | The complex between the eight-bladed symmetrical designer protein Tako8 and 1:2 zirconium(IV) Wells-Dawson (ZrWD) | Descriptor: | Tako8, W-Zr-cluster | Authors: | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | Deposit date: | 2020-03-02 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters Cryst.Growth Des., 2021
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6J5B
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![BU of 6j5b by Molmil](/molmil-images/mine/6j5b) | Structural basis for the target DNA recognition and binding by the MYB domain of phosphate starvation response regulator 1 | Descriptor: | DNA (5'-D(*GP*GP*TP*AP*CP*AP*GP*TP*AP*TP*AP*TP*AP*CP*CP*AP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*GP*GP*TP*AP*TP*AP*TP*AP*CP*TP*GP*TP*AP*CP*C)-3'), Protein PHOSPHATE STARVATION RESPONSE 1 | Authors: | Jiang, M.Q, Sun, L.F, Isupov, M.N, Wu, Y.K. | Deposit date: | 2019-01-10 | Release date: | 2019-04-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the Target DNA recognition and binding by the MYB domain of phosphate starvation response 1. Febs J., 286, 2019
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8RFY
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![BU of 8rfy by Molmil](/molmil-images/mine/8rfy) | High pH (8.0) as-isolated MSOX movie series dataset 30 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [12.3 MGy] | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | Deposit date: | 2023-12-13 | Release date: | 2024-07-24 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol., 436, 2024
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6F3S
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![BU of 6f3s by Molmil](/molmil-images/mine/6f3s) | The crystal structure of Glycogen Phosphorylase in complex with 10d | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. Eur J Med Chem, 147, 2018
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7ZRX
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![BU of 7zrx by Molmil](/molmil-images/mine/7zrx) | |
5FQN
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6EVN
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![BU of 6evn by Molmil](/molmil-images/mine/6evn) | Crystal structure of peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase complex with Pro-Pro-Gly-Pro-Ala-Gly-Pro-Pro-Gly. | Descriptor: | DIMETHYL SULFOXIDE, PRO-PRO-GLY-PRO-ALA-GLY-PRO-PRO-GLY, Prolyl 4-hydroxylase subunit alpha-2, ... | Authors: | Murthy, A.V, Sulu, R, Koski, M.K, Wierenga, R.K. | Deposit date: | 2017-11-02 | Release date: | 2018-09-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural enzymology binding studies of the peptide-substrate-binding domain of human collagen prolyl 4-hydroxylase (type-II): High affinity peptides have a PxGP sequence motif. Protein Sci., 27, 2018
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6B4J
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![BU of 6b4j by Molmil](/molmil-images/mine/6b4j) | Crystal structure of human Gle1 CTD-Nup42 GBM-DDX19B(AMPPNP) complex | Descriptor: | ATP-dependent RNA helicase DDX19B, MAGNESIUM ION, Nucleoporin GLE1, ... | Authors: | Lin, D.H, Correia, A.R, Cai, S.W, Huber, F.M, Jette, C.A, Hoelz, A. | Deposit date: | 2017-09-26 | Release date: | 2018-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural and functional analysis of mRNA export regulation by the nuclear pore complex. Nat Commun, 9, 2018
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