7BO4
 
 | | Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S. | | Deposit date: | 2021-01-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
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6PTL
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7KR7
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6TGB
 | | CryoEM structure of the binary DOCK2-ELMO1 complex | | Descriptor: | Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1 | | Authors: | Chang, L, Yang, J, Chang, J.H, Zhang, Z, Boland, A, McLaughlin, S.H, Abu-Thuraia, A, Killoran, R.C, Smith, M.J, Cote, J.F, Barford, D. | | Deposit date: | 2019-11-15 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
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4QOJ
 | | CRYSTAL STRUCTURE OF FMN QUINONE REDUCTASE 2 IN COMPLEX WITH RESVERATROL AT 1.85A | | Descriptor: | FLAVIN MONONUCLEOTIDE, RESVERATROL, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G. | | Deposit date: | 2014-06-20 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | CRYSTAL STRUCTURE OF FMN QUINONE REDUCTASE 2 IN COMPLEX WITH RESVERATROL AT 1.85A
To be Published
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7KR8
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4ENC
 | | Crystal structure of fluoride riboswitch | | Descriptor: | FLUORIDE ION, Fluoride riboswitch, MAGNESIUM ION, ... | | Authors: | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.272 Å) | | Cite: | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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6TJD
 | | Crystal structure of the computationally designed Cake4 protein | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cake4 | | Authors: | Laier, I, Mylemans, B, Noguchi, H, Voet, A.R.D. | | Deposit date: | 2019-11-26 | | Release date: | 2020-05-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
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7KUZ
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3H9R
 | | Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin | | Descriptor: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-1, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | Authors: | Chaikuad, A, Alfano, I, Shrestha, B, Muniz, J.R.C, Petrie, K, Fedorov, O, Phillips, C, Bishop, S, Mahajan, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-30 | | Release date: | 2009-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the Bone Morphogenetic Protein Receptor ALK2 and Implications for Fibrodysplasia Ossificans Progressiva.
J.Biol.Chem., 287, 2012
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4Z2S
 | | The crystal structure of Sclerotium Rolfsii lectin variant 2 (SSR2) in complex with N-acetyl-glucosamine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Kantsadi, A.L, Peppa, V.I, Leonidas, D.D. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular Cloning, Carbohydrate Specificity and the Crystal Structure of Two Sclerotium rolfsii Lectin Variants.
Molecules, 20, 2015
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5CSQ
 | | The structure of the NK1 fragment of HGF/SF complexed with MOPS | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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5CQU
 | | Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry | | Descriptor: | 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A. | | Deposit date: | 2015-07-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors
Rsc Adv, 5, 2015
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4QMJ
 | | The XMAP215 family drives microtubule polymerization using a structurally diverse TOG array | | Descriptor: | Cytoskeleton-associated protein 5 | | Authors: | Fox, J.C, Howard, A.E, Currie, J.D, Rogers, S.L, Slep, K.C. | | Deposit date: | 2014-06-16 | | Release date: | 2014-07-09 | | Last modified: | 2014-09-03 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | The XMAP215 family drives microtubule polymerization using a structurally diverse TOG array.
Mol.Biol.Cell, 25, 2014
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5DHC
 | | Cooperativity and Downstream Binding in RNA Replication | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3') | | Authors: | Zhang, W, Fahrenbach, A.C, Tam, C.P, Szostak, J.W. | | Deposit date: | 2015-08-30 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes.
ACS Cent Sci, 2, 2016
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8K3N
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6D1Q
 | | Crystal structure of E. coli RppH-DapF complex, monomer | | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, GLYCEROL, ... | | Authors: | Gao, A, Serganov, A. | | Deposit date: | 2018-04-12 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF.
Nucleic Acids Res., 46, 2018
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6TMU
 | | Crystal structure of the chaperonin gp146 from the bacteriophage EL 2 (Pseudomonas aeruginosa) in presence of ATP-BeFx, crystal form II | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Bracher, A, Paul, S.S, Wang, H, Wischnewski, N, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2019-12-05 | | Release date: | 2020-04-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.54 Å) | | Cite: | Structure and conformational cycle of a bacteriophage-encoded chaperonin.
Plos One, 15, 2020
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5DIH
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6TJB
 | | Crystal structure of the computationally designed Cake2 protein | | Descriptor: | Cake2, GLYCEROL | | Authors: | Laier, I, Mylemans, B, Noguchi, H, Voet, A.R.D. | | Deposit date: | 2019-11-26 | | Release date: | 2020-05-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
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4Z4S
 | | Crystal structure of GII.10 P domain in complex with 150mM fucose | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ... | | Authors: | Koromyslova, A.D, Leuthold, M.M, Hansman, G.S. | | Deposit date: | 2015-04-02 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
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5UGA
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | | Descriptor: | 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ... | | Authors: | Gajiwala, K.S, Ferre, R.A. | | Deposit date: | 2017-01-07 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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7KW7
 | | Atomic cryoEM structure of Hsp90-Hsp70-Hop-GR | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glucocorticoid receptor, Heat shock 70 kDa protein 1A, ... | | Authors: | Wang, R.Y, Noddings, C.M, Kirschke, E, Myasnikov, A, Johnson, J.L, Agard, D.A. | | Deposit date: | 2020-11-30 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | Structure of Hsp90-Hsp70-Hop-GR reveals the Hsp90 client-loading mechanism.
Nature, 601, 2022
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6TQ3
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5UCG
 | | Structure of the PP2C Phosphatase Domain and a Fragment of the Regulatory Domain of the Cell Fate Determinant SpoIIE from Bacillus Subtilis | | Descriptor: | Stage II sporulation protein E | | Authors: | Bradshaw, N, Levdikov, V, Zimanyi, C, Gaudet, R, Wilkinson, A, Losick, R. | | Deposit date: | 2016-12-22 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.906 Å) | | Cite: | A widespread family of serine/threonine protein phosphatases shares a common regulatory switch with proteasomal proteases.
Elife, 6, 2017
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