6C8Z
 
 | | Last common ancestor of ADP-dependent phosphofructokinases from Methanosarcinales | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADP-dependent phosphofructokinase, MAGNESIUM ION, ... | | Authors: | Castro-Fernandez, V, Gonzalez-Ordenes, F, Munoz, S, Fuentes, N, Leonardo, D, Fuentealba, M, Herrera-Morande, A, Maturana, P, Villalobos, P, Garratt, R. | | Deposit date: | 2018-01-25 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | ADP-Dependent Kinases From the Archaeal OrderMethanosarcinalesAdapt to Salt by a Non-canonical Evolutionarily Conserved Strategy.
Front Microbiol, 9, 2018
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5YOI
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6ME3
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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8PUI
 | | human PHOX2B C-terminal domain including the polyA fragment at 298K | | Descriptor: | Paired mesoderm homeobox protein 2B | | Authors: | Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J. | | Deposit date: | 2023-07-17 | | Release date: | 2024-03-13 | | Method: | SOLUTION NMR | | Cite: | Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
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6G4Z
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f | | Descriptor: | 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14 | | Authors: | Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G. | | Deposit date: | 2018-03-28 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
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6SLS
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7TQX
 | | CaKip3[2-482] - AMP-PNP in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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8H4P
 | | class I sesquiterpene synthase | | Descriptor: | Longiborneol synthase CLM1, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | Authors: | Li, A.N, Lou, T.T, Ma, M. | | Deposit date: | 2022-10-11 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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6GSR
 | | Single Particle Cryo-EM map of human Transferrin receptor 1 - H-Ferritin complex at 5.5 Angstrom resolution. | | Descriptor: | Ferritin heavy chain, Transferrin receptor protein 1 | | Authors: | Testi, C, Montemiglio, L.C, Vallone, B, Des Georges, A, Boffi, A, Mancia, F, Baiocco, P. | | Deposit date: | 2018-06-15 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-08 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Cryo-EM structure of the human ferritin-transferrin receptor 1 complex.
Nat Commun, 10, 2019
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6G5L
 | | Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2018-03-29 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
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5FQH
 | | The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, BETA-N-ACETYLGALACTOSAMINIDASE, PHOSPHATE ION | | Authors: | Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2015-12-10 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens
J.Mol.Biol., 428, 2016
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4ZQO
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor Q67 | | Descriptor: | GLYCEROL, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-05-10 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
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7QPG
 | | Human RZZ kinetochore corona complex. | | Descriptor: | Centromere/kinetochore protein zw10 homolog, Kinetochore-associated protein 1, Protein zwilch homolog | | Authors: | Raisch, T, Ciossani, G, d'Amico, E, Cmetowski, V, Carmignani, S, Maffini, S, Merino, F, Wohlgemuth, S, Vetter, I.R, Raunser, S, Musacchio, A. | | Deposit date: | 2022-01-04 | | Release date: | 2022-03-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the RZZ complex and molecular basis of Spindly-driven corona assembly at human kinetochores.
Embo J., 41, 2022
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7TQY
 | | CaKip3[2-482] - ADP-AlFx in complex with a microtubule | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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8OP1
 | | Subsection of a helical nucleocapsid of the Respiratory Syncytial Virus | | Descriptor: | Nucleoprotein, RNA (5'-R(P*CP*CP*CP*CP*CP*CP*C)-3') | | Authors: | Gonnin, L, Desfosses, A, Eleouet, J.F, Galloux, M, Gutsche, I. | | Deposit date: | 2023-04-06 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural landscape of the respiratory syncytial virus nucleocapsids.
Nat Commun, 14, 2023
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8C39
 | | X-ray structure of HEWL upon reaction with a Ruthenium(II)-arene Complexed with Glycosylated Carbene Ligands (5) | | Descriptor: | CHLORIDE ION, Lysozyme, NITRATE ION, ... | | Authors: | Ferraro, G, Merlino, A. | | Deposit date: | 2022-12-23 | | Release date: | 2024-01-10 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Ruthenium(II)–Arene Complexes with Glycosylated NHC-Carbene Co-Ligands: Synthesis, Hydrolytic Behavior, and Binding to Biological Molecules
Organometallics, 42, 2023
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7TUJ
 | | NMR solution structure of the phosphorylated MUS81-binding region from human SLX4 | | Descriptor: | Structure-specific endonuclease subunit SLX4 | | Authors: | Payliss, B.J, Reichheld, S.E, Lemak, A, Arrowsmith, C.H, Sharpe, S, Wyatt, H.D.M. | | Deposit date: | 2022-02-02 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-09 | | Method: | SOLUTION NMR | | Cite: | Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease.
Cell Rep, 41, 2022
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6GUE
 | | CDK2/CyclinA in complex with AZD5438 | | Descriptor: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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8OYK
 | | Coiled-Coil Domain of Human STIL, L736E Mutant | | Descriptor: | CHLORIDE ION, Isoform 2 of SCL-interrupting locus protein | | Authors: | Martin, F.J.O, Shamir, M, Woolfson, D.N, Friedler, A. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Mechanism of STIL Coiled-Coil Domain Oligomerization.
Int J Mol Sci, 24, 2023
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8TV5
 | | Structure of the EphA2 LBDCRD bound to FabS1CE_L1 in a 2:1 (EphA2 to Fab) ratio | | Descriptor: | Ephrin type-A receptor 2, MAGNESIUM ION, S1CE variant of Fab_L1 heavy chain, ... | | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2023-08-17 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (4.6 Å) | | Cite: | Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation
To be published
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7TR0
 | | CaKip3[2-436] - AMP-PNP in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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4Z0P
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADPH and oxalate | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Porebski, P.J, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-03-26 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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6SSB
 | | syk in complex with compound 30 | | Descriptor: | Tyrosine-protein kinase SYK, ~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine | | Authors: | Read, J.A. | | Deposit date: | 2019-09-06 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of a Series of Potent, Selective and Orally Bioavailable SYK Inhibitors
To Be Published
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6M8Q
 | | Cleavage and Polyadenylation Specificity Factor Subunit 3 (CPSF3) in complex with NVP-LTM531 | | Descriptor: | Cleavage and polyadenylation specificity factor subunit 3, N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine, PHOSPHATE ION, ... | | Authors: | Weihofen, W.A, Salcius, M, Michaud, G. | | Deposit date: | 2018-08-22 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma.
Nat.Chem.Biol., 16, 2020
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8PR2
 | | Cytoplasmic dynein-1 heavy chain bound to JIP3-LZI | | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 3, Cytoplasmic dynein 1 heavy chain 1, Cytoplasmic dynein 1 intermediate chain 2, ... | | Authors: | Singh, K, Lau, C.K, Manigrasso, G, Gassmann, R, Carter, A.P. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Molecular mechanism of dynein-dynactin complex assembly by LIS1.
Science, 383, 2024
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