4UVJ
 
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4WAA
 | | Crystal structure of Nix LIR-fused human LC3B_2-119 | | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B | | Authors: | Suzuki, H, Ravichandran, A.C, Dobson, R.C.J, Novak, I, Wakatsuki, S. | | Deposit date: | 2014-08-29 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Phosphorylation of the mitochondrial autophagy receptor Nix enhances its interaction with LC3 proteins.
Sci Rep, 7, 2017
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7CL1
 | | Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Song, K, Zhang, J. | | Deposit date: | 2020-07-20 | | Release date: | 2021-02-24 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
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4UZ2
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4WAG
 | | Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor | | Descriptor: | 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | | Authors: | Chalupska, D, Boura, E. | | Deposit date: | 2014-08-29 | | Release date: | 2015-05-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.407 Å) | | Cite: | Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action.
J.Med.Chem., 58, 2015
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4UZY
 | | Crystal structure of the Chlamydomonas IFT70 and IFT52 complex | | Descriptor: | CITRATE ANION, FLAGELLAR ASSOCIATED PROTEIN, INTRAFLAGELLAR TRANSPORT PROTEIN IFT52, ... | | Authors: | Taschner, M, Lorentzen, E. | | Deposit date: | 2014-09-09 | | Release date: | 2014-11-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.477 Å) | | Cite: | Crystal Structures of Ift70/52 and Ift52/46 Provide Insight Into Intraflagellar Transport B Core Complex Assembly.
J.Cell Biol., 207, 2014
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4V23
 | | RSV Matrix protein | | Descriptor: | MATRIX PROTEIN, POTASSIUM ION | | Authors: | Forster, A, Maertens, G, Bajorek, M. | | Deposit date: | 2014-10-05 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Dimerization of Matrix Protein is Required for Budding of Respiratory Syncytial Virus.
J.Virol., 89, 2015
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4WAS
 | | STRUCTURE OF THE ETR1P/NADP/CROTONYL-COA COMPLEX | | Descriptor: | CROTONYL COENZYME A, Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, ... | | Authors: | Quade, N, Voegeli, B, Rosenthal, R, Capitani, G, Erb, T.J. | | Deposit date: | 2014-08-31 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The use of ene adducts to study and engineer enoyl-thioester reductases.
Nat.Chem.Biol., 11, 2015
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4V3L
 | | RNF38-UB-UbcH5B-Ub complex | | Descriptor: | 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE RNF38, POLYUBIQUITIN-C, ... | | Authors: | Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T. | | Deposit date: | 2014-10-20 | | Release date: | 2015-04-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin.
Mol.Cell, 58, 2015
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4V05
 | | FGFR1 in complex with AZD4547. | | Descriptor: | 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ... | | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | | Deposit date: | 2014-09-10 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
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4V3W
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine | | Descriptor: | 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-10-20 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4W2R
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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4WG7
 | | Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a nano focused beam. | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Coquelle, N, Brewster, A.S, Kappe, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P. | | Deposit date: | 2014-09-18 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
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4WH2
 | | N-acetylhexosamine 1-kinase in complex with ADP | | Descriptor: | ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Sato, M, Arakawa, T, Nam, Y.W, Nishimoto, M, Kitaoka, M, Fushinobu, S. | | Deposit date: | 2014-09-19 | | Release date: | 2015-02-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.847 Å) | | Cite: | Open-close structural change upon ligand binding and two magnesium ions required for the catalysis of N-acetylhexosamine 1-kinase
Biochim.Biophys.Acta, 1854, 2015
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4WH7
 | | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand | | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, GLYCEROL, M-phase inducer phosphatase 2, ... | | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | | Deposit date: | 2014-09-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
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4WET
 | | Crystal structure of E.Coli DsbA in complex with compound 16 | | Descriptor: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine, SODIUM ION, ... | | Authors: | Ilyichova, O.V, Scanlon, M.J. | | Deposit date: | 2014-09-11 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4WH9
 | | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor | | Descriptor: | 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid, GLYCEROL, M-phase inducer phosphatase 2, ... | | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | | Deposit date: | 2014-09-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
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4WHZ
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4WIV
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Xu, X, Blacklow, S. | | Deposit date: | 2014-09-26 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Biased multicomponent reactions to develop novel bromodomain inhibitors.
J.Med.Chem., 57, 2014
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4WEJ
 | | Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam | | Descriptor: | (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-09-10 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.045 Å) | | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
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4WLA
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4WF0
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4WLF
 | | Crystal structure of L-malate bound MDH2 | | Descriptor: | (2S)-2-hydroxybutanedioic acid, Malate dehydrogenase, mitochondrial, ... | | Authors: | Eo, Y.M, Han, B.G, Ahn, H.C. | | Deposit date: | 2014-10-07 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of L-malate bound MDH2
To Be Published
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6DQV
 | | Class 2 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION | | Authors: | Hite, R.K, Paknejad, N. | | Deposit date: | 2018-06-11 | | Release date: | 2018-08-01 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.82 Å) | | Cite: | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
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4WH1
 | | N-Acetylhexosamine 1-kinase (ligand free) | | Descriptor: | ACETIC ACID, GLYCEROL, N-acetylhexosamine 1-kinase | | Authors: | Sato, M, Arakawa, T, Nam, Y.W, Nishimoto, M, Kitaoka, M, Fushinobu, S. | | Deposit date: | 2014-09-19 | | Release date: | 2015-02-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Open-close structural change upon ligand binding and two magnesium ions required for the catalysis of N-acetylhexosamine 1-kinase
Biochim.Biophys.Acta, 1854, 2015
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