5IH8
 
 | | MELK in complex with NVS-MELK1 | | Descriptor: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | | Authors: | Sprague, E.R, Puleo, D.E. | | Deposit date: | 2016-02-29 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
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8ENW
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7BRN
 | | Crystal structure of Atg40 AIM fused to Atg8 | | Descriptor: | 1,2-ETHANEDIOL, Autophagy-related protein 40,Autophagy-related protein 8, L-EPINEPHRINE | | Authors: | Yamasaki, A, Noda, N.N. | | Deposit date: | 2020-03-29 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.231 Å) | | Cite: | Super-assembly of ER-phagy receptor Atg40 induces local ER remodeling at contacts with forming autophagosomal membranes.
Nat Commun, 11, 2020
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5IOH
 | | RepoMan-PP1a (protein phosphatase 1, alpha isoform) holoenzyme complex | | Descriptor: | Cell division cycle-associated protein 2, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | | Authors: | Kumar, G.S, Peti, W, Page, R. | | Deposit date: | 2016-03-08 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.566 Å) | | Cite: | The Ki-67 and RepoMan mitotic phosphatases assemble via an identical, yet novel mechanism.
Elife, 5, 2016
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8DC6
 | | Crystal structure of p53 Y220C covalently bound to indole KG6 | | Descriptor: | 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form, Cellular tumor antigen p53, ... | | Authors: | Guiley, K.Z, Shokat, K.M. | | Deposit date: | 2022-06-15 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.60000908 Å) | | Cite: | A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability.
Cancer Discov, 13, 2023
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5VH3
 | | Crystal structure of Fab fragment of the anti-TNFa antibody infliximab in a C-centered orthorhombic crystal form | | Descriptor: | 1,2-ETHANEDIOL, Infliximab Fab Heavy Chain, Infliximab Fab Light Chain | | Authors: | Mayclin, S.J, Edwards, T.E, Lerch, T.F, Conlan, H, Sharpe, P. | | Deposit date: | 2017-04-12 | | Release date: | 2017-05-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Infliximab crystal structures reveal insights into self-association.
MAbs, 9, 2017
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8Z6W
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6WTE
 | | Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with cobalamin and [4Fe-4S] cluster bound | | Descriptor: | 1,2-ETHANEDIOL, B12-binding domain-containing protein, COBALAMIN, ... | | Authors: | Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J. | | Deposit date: | 2020-05-02 | | Release date: | 2020-12-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Nat.Chem.Biol., 17, 2021
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6WUL
 | | Mitochondrial SAM complex - dimer 1 in detergent | | Descriptor: | Bac_surface_Ag domain-containing protein, Sam35, Tom37 domain-containing protein | | Authors: | Ni, X, Botos, I, Diederichs, K. | | Deposit date: | 2020-05-04 | | Release date: | 2020-08-12 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insight into mitochondrial beta-barrel outer membrane protein biogenesis.
Nat Commun, 11, 2020
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8Z6U
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8S9O
 | | DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form | | Descriptor: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-03-29 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
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6X1W
 | | Structure of pHis Fab (SC56-2) in complex with pHis mimetic peptide | | Descriptor: | ACLYana-3-pTza peptide, SC56-2 Heavy chain, SC56-2 Light chain | | Authors: | Kalagiri, R, Stanfield, R, Wilson, I.A, Hunter, T. | | Deposit date: | 2020-05-19 | | Release date: | 2021-02-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7Z9L
 | | Phen-DC3 intercalation causes hybrid-to-antiparallel transformation of human telomeric DNA G-quadruplex | | Descriptor: | DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide | | Authors: | Ghosh, A, Trajkovski, M, Teulade-Fichou, M.P, Gabelica, V, Plavec, J. | | Deposit date: | 2022-03-21 | | Release date: | 2022-08-31 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Phen-DC 3 Induces Refolding of Human Telomeric DNA into a Chair-Type Antiparallel G-Quadruplex through Ligand Intercalation.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7P9Q
 | | Crystal structure of Indole 3-Carboxylic acid decarboxylase from Arthrobacter nicotianae FI1612 in complex with co-factor prFMN. | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, AnInD, MANGANESE (II) ION, ... | | Authors: | Gahloth, D, Leys, D. | | Deposit date: | 2021-07-27 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural and biochemical characterization of the prenylated flavin mononucleotide-dependent indole-3-carboxylic acid decarboxylase.
J.Biol.Chem., 298, 2022
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7P6S
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol | | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | Deposit date: | 2021-07-17 | | Release date: | 2022-03-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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8FI4
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6NUN
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9GIU
 | | Cryo-EM structure of human SLC45A4 in detergent | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL HEMISUCCINATE, Solute carrier family 45 member 4 | | Authors: | Markusson, S, Deme, J.C, Lea, S.M, Newstead, S. | | Deposit date: | 2024-08-19 | | Release date: | 2025-07-30 | | Last modified: | 2025-10-22 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | SLC45A4 is a pain gene encoding a neuronal polyamine transporter.
Nature, 646, 2025
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7P0H
 | | Crystal structure of Helicobacter pylori ComF fused to an artificial alphaREP crystallization helper(named B2) | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, Helicobacter pylori ComF fused to an artificial alphaREP crystallization helper (named B2), ... | | Authors: | Celma, L, Walbott, H, Legrand, P, Quevillon-Cheruel, S. | | Deposit date: | 2021-06-29 | | Release date: | 2022-04-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | ComFC mediates transport and handling of single-stranded DNA during natural transformation.
Nat Commun, 13, 2022
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8ZMJ
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5IX8
 | | Crystal structure of sugar ABC transport system, substrate-binding protein from Bordetella parapertussis 12822 | | Descriptor: | 1,2-ETHANEDIOL, Putative sugar ABC transport system, substrate-binding protein, ... | | Authors: | Chang, C, Cuff, M, Joachimiak, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-03-23 | | Release date: | 2016-04-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of sugar ABC transport system, substrate-binding protein from Bordetella parapertussis 12822
To Be Published
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7R60
 | | BTK in complex with 18A | | Descriptor: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A. | | Deposit date: | 2021-06-22 | | Release date: | 2021-10-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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7R61
 | | BTK in complex with 25A | | Descriptor: | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A. | | Deposit date: | 2021-06-22 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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8D65
 | | ELIC apo in 2:1:1 POPC:POPE:POPG nanodisc | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Erwinia ligand-gated ion channel | | Authors: | Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L. | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
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8D66
 | | ELIC with cysteamine in 2:1:1 POPC:POPE:POPG nanodisc | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-AMINO-ETHANETHIOL, Erwinia ligand-gated ion channel | | Authors: | Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L. | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
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