5OUM
 
 | | The crystal structure of CK2alpha in complex with compound 21 | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-24 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OTO
 | | The crystal structure of CK2alpha in complex with compound 30 | | Descriptor: | 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-22 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5UN3
 | | Tetragonal thermolysin (295 K) in the presence of 50% xylose | | Descriptor: | CALCIUM ION, CHLORIDE ION, Thermolysin, ... | | Authors: | Juers, D. | | Deposit date: | 2017-01-30 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.60004437 Å) | | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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5U5T
 | | Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide | | Descriptor: | (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | | Authors: | Bussiere, D, Shu, W. | | Deposit date: | 2016-12-07 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
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5TS1
 | | Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV) | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Jiang, J, Natarajan, K, Margulies, D. | | Deposit date: | 2016-10-27 | | Release date: | 2018-05-09 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice.
Eur.J.Immunol., 2019
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5TXD
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5TXH
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5U5K
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4KMS
 | | Crystal structure of Acetoacetyl-CoA reductase from Rickettsia felis | | Descriptor: | Acetoacetyl-CoA reductase | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Abendroth, J, Lukacs, C, Edwards, T.E, Lorimer, D. | | Deposit date: | 2013-05-08 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of acetoacetyl-CoA reductase from Rickettsia felis.
Acta Crystallogr.,Sect.F, 77, 2021
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4KSF
 | | Crystal Structure of Malonyl-CoA decarboxylase from Agrobacterium vitis, Northeast Structural Genomics Consortium Target RiR35 | | Descriptor: | CHLORIDE ION, Malonyl-CoA decarboxylase, NICKEL (II) ION | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-05-17 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.
Structure, 21, 2013
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4K9F
 | | Neutron structure of Perdeuterated Rubredoxin refined against 1.75 resolution data collected on the new IMAGINE instrument at HFIR, ORNL | | Descriptor: | FE (III) ION, Rubredoxin | | Authors: | Munshi, P, Meilleur, F, Myles, D. | | Deposit date: | 2013-04-19 | | Release date: | 2013-12-04 | | Last modified: | 2023-09-20 | | Method: | NEUTRON DIFFRACTION (1.75 Å) | | Cite: | The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography.
Acta Crystallogr.,Sect.D, 69, 2013
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4KN6
 | | Crystal structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with 6-fluoro-3-hydroxy-2-pyrazinecarboxamide (T-705) ribose-5'-monophosphate | | Descriptor: | 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, Hypoxanthine-guanine phosphoribosyltransferase | | Authors: | Naesens, L, Guddat, L, Keough, D, van Kuilenburg, A.B.P, Meijer, J, Vande Voorde, J, Balzarini, J. | | Deposit date: | 2013-05-08 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.728 Å) | | Cite: | Role of human hypoxanthine Guanine phosphoribosyltransferase in activation of the antiviral agent T-705 (favipiravir).
Mol.Pharmacol., 84, 2013
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4LCD
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4LF2
 | | Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with sulfate and magnesium | | Descriptor: | CARBONATE ION, MAGNESIUM ION, Ribulose bisphosphate carboxylase, ... | | Authors: | Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J. | | Deposit date: | 2013-06-26 | | Release date: | 2014-06-25 | | Last modified: | 2016-07-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris.
J.Biol.Chem., 289, 2014
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4MKF
 | | Crystal structure of a stable adenylate kinase variant AKv3 | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CALCIUM ION, ... | | Authors: | Moon, S, Jung, D, Bae, E. | | Deposit date: | 2013-09-05 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | An integrated approach for thermal stabilization of a mesophilic adenylate kinase.
Proteins, 82, 2014
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4MKG
 | | Crystal structure of a stable adenylate kinase variant AKv8 | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Moon, S, Jung, D, Bae, E. | | Deposit date: | 2013-09-05 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | An integrated approach for thermal stabilization of a mesophilic adenylate kinase.
Proteins, 82, 2014
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4LI5
 | | EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide | | Descriptor: | Epidermal growth factor receptor, N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide, SODIUM ION | | Authors: | Debreczeni, J.E, Seiffert, G.B, Kiefersauer, R, Augustin, M, Nagel, S, Ward, R, Anderton, M, Ashton, S, Bethel, P, Box, M, Butterworth, S, Colclough, N, Chroley, C, Chuaqui, C, Cross, D, Eberlein, C, Finlay, R, Hill, G, Grist, M, Klinowska, T, Lane, C, Martin, S, Orme, J, Smith, P, Wang, F, Waring, M. | | Deposit date: | 2013-07-02 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR).
J.Med.Chem., 56, 2013
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4LF1
 | | Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with 2-CABP | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | | Authors: | Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J. | | Deposit date: | 2013-06-26 | | Release date: | 2014-06-25 | | Last modified: | 2016-07-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris.
J.Biol.Chem., 289, 2014
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4LSE
 | | Ion selectivity of OmpF porin soaked in 0.2M NaBr | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Balasundaresan, D, Blachowicz, L, Roux, B. | | Deposit date: | 2013-07-22 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations.
J.Am.Chem.Soc., 135, 2013
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4LC1
 | | MeaB, A Bacterial Homolog of MMAA, Bound to GDP and crystallized in the presence of GDP and [AlF4]- | | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Methylmalonyl-CoA mutase accessory protein | | Authors: | Koutmos, M, Padovani, D, Lofgren, M, Banerjee, R. | | Deposit date: | 2013-06-21 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Autoinhibition and Signaling by the Switch II Motif in the G-protein Chaperone of a Radical B12 Enzyme.
J.Biol.Chem., 288, 2013
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4LNC
 | | Neutron structure of the cyclic glucose bound Xylose Isomerase E186Q mutant | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, Xylose isomerase, ... | | Authors: | Munshi, P, Meilleur, F, Myles, D. | | Deposit date: | 2013-07-11 | | Release date: | 2014-02-12 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (2.19 Å) | | Cite: | Neutron structure of the cyclic glucose-bound xylose isomerase E186Q mutant.
Acta Crystallogr.,Sect.D, 70, 2014
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4MQA
 | | Human beta-tryptase co-crystal structure with {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) | | Descriptor: | SULFATE ION, TETRAETHYLENE GLYCOL, Tryptase alpha/beta-1, ... | | Authors: | White, A, Lakshminarasimhan, D, Suto, R. | | Deposit date: | 2013-09-16 | | Release date: | 2015-03-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Target-directed self-assembly of homodimeric drugs
To be Published
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4N73
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4N8M
 | | Structural polymorphism in the N-terminal oligomerization domain of NPM1 | | Descriptor: | COBALT (II) ION, Nucleophosmin | | Authors: | Mitrea, D, Royappa, G, Buljan, M, Yun, M, Pytel, N, Satumba, J, Nourse, A, Park, C, Babu, M.M, White, S.W, Kriwacki, R.W. | | Deposit date: | 2013-10-17 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Structural polymorphism in the N-terminal oligomerization domain of NPM1.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4N70
 | | Pim1 Complexed with a pyridylcarboxamide | | Descriptor: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | | Deposit date: | 2013-10-14 | | Release date: | 2013-11-06 | | Last modified: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
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