4ZRW
 
 | | Structure of cow mincle complexed with trehalose | | Descriptor: | CALCIUM ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, mincle protein | | Authors: | Feinberg, H, Rambaruth, N.D.S, Taylor, M.E, Drickamer, K, Weis, W.I. | | Deposit date: | 2015-05-12 | | Release date: | 2016-05-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
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6X1K
 | | Solution NMR structure of de novo designed TMB2.3 | | Descriptor: | De novo designed transmembrane beta-barrel TMB2.3 | | Authors: | Liang, B, Vorobieva, A.A, Chow, C.M, Baker, D, Tamm, L.K. | | Deposit date: | 2020-05-19 | | Release date: | 2021-02-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | De novo design of transmembrane beta barrels.
Science, 371, 2021
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5MQJ
 | | Crystal structure of dCK mutant C3S | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ... | | Authors: | Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | | Deposit date: | 2016-12-20 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
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4TXE
 | | ScCTS1 in complex with compound 5 | | Descriptor: | (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol, Endochitinase | | Authors: | Schuettelkopf, A.W, van Aalten, D.M.F. | | Deposit date: | 2014-07-03 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
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3NFA
 | | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | | Descriptor: | 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ... | | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | | Deposit date: | 2010-06-10 | | Release date: | 2011-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NM5
 | | Helicobacter pylori MTAN complexed with Formycin A | | Descriptor: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, MTA/SAH nucleosidase | | Authors: | Ronning, D.R, Iacopelli, N.M. | | Deposit date: | 2010-06-21 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enzyme-ligand interactions that drive active site rearrangements in the Helicobacter pylori 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
Protein Sci., 19, 2010
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6G2U
 | | Crystal structure of the human glutamate dehydrogenase 2 (hGDH2) | | Descriptor: | CHLORIDE ION, Glutamate dehydrogenase 2, mitochondrial, ... | | Authors: | Fadouloglou, V.F, Dimovasili, C, Providaki, M, Kotsifaki, D, Sarrou, I, Plaitakis, A, Zaganas, I, Kokkinidis, M. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.934287 Å) | | Cite: | Crystal structure of glutamate dehydrogenase 2, a positively selected novel human enzyme involved in brain biology and cancer pathophysiology.
J.Neurochem., 2021
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6SGB
 | | mt-SSU assemblosome of Trypanosoma brucei | | Descriptor: | 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2019-08-03 | | Release date: | 2019-09-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
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5HDI
 | | Structural characterization of CYP144A1, a Mycobacterium tuberculosis cytochrome P450 | | Descriptor: | Cytochrome P450 144, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Chenge, J, Driscoll, M.D, McLean, K.J, Munro, A.W, Leys, D. | | Deposit date: | 2016-01-05 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural characterization of CYP144A1 - a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis.
Sci Rep, 6, 2016
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4YBI
 | | Crystal structure of BACE with amino thiazine inhibitor LY2811376 | | Descriptor: | (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL | | Authors: | Timm, D.E. | | Deposit date: | 2015-02-18 | | Release date: | 2015-04-01 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor.
J.Neurosci., 31, 2011
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3N5G
 | | Crystal Structure of histidine-tagged human thymidylate synthase | | Descriptor: | SULFATE ION, Thymidylate synthase | | Authors: | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | | Deposit date: | 2010-05-25 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5NVM
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4YFK
 | | Escherichia coli RNA polymerase in complex with squaramide compound 8. | | Descriptor: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | | Deposit date: | 2015-02-25 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.571 Å) | | Cite: | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.
J.Med.Chem., 58, 2015
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4YJ3
 | | Crystal structure of tubulin bound to compound 2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, CALCIUM ION, ... | | Authors: | McNamara, D.E, Torres, J.Z, Yeates, T.O. | | Deposit date: | 2015-03-03 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Structures of potent anticancer compounds bound to tubulin.
Protein Sci., 24, 2015
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8PJN
 | | Catalytic module of human CTLH E3 ligase bound to multiphosphorylated UBE2H~ubiquitin | | Descriptor: | E3 ubiquitin-protein transferase MAEA, E3 ubiquitin-protein transferase RMND5A, Ubiquitin, ... | | Authors: | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | | Deposit date: | 2023-06-23 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
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7ZI4
 | | Cryo-EM structure of the human INO80 complex bound to a WT nucleosome | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Vance, N.R, Ayala, R, Willhoft, O, Tvardovskiy, A, McCormack, E.A, Bartke, T, Zhang, X, Wigley, D.B. | | Deposit date: | 2022-04-07 | | Release date: | 2023-04-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the human INO80 complex bound to a WT nucleosome
To Be Published
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8PMQ
 | | Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin | | Descriptor: | E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ... | | Authors: | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | | Deposit date: | 2023-06-29 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
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6QZL
 | | Structure of the H1 domain of human KCTD12 | | Descriptor: | BTB/POZ domain-containing protein KCTD12 | | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Newman, J.A, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-11 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of the H1 domain of human KCTD12
To be published
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3I2T
 | | Crystal structure of the unliganded Drosophila Epidermal Growth Factor Receptor ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | | Authors: | Alvarado, D, Klein, D.E, Lemmon, M.A. | | Deposit date: | 2009-06-29 | | Release date: | 2009-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ErbB2 resembles an autoinhibited invertebrate epidermal growth factor receptor.
Nature, 461, 2009
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7UFX
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional G-C rich sequence, respectively. | | Descriptor: | DNA (5'-D(A*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(A*GP*TP*CP*CP*GP*GP*GP*CP*CP*G)-3'), ... | | Authors: | Ward, A.R, Shields, E.T, Snow, C.D. | | Deposit date: | 2022-03-23 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
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7ZK6
 | | ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC | | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | Deposit date: | 2022-04-12 | | Release date: | 2023-04-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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8CZV
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 17d | | Descriptor: | 3C-like proteinase, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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4YDD
 | | Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Tsai, C.-L, Youngblut, M.D, Tainer, J.A. | | Deposit date: | 2015-02-21 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
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6XAG
 | | Apo BRAF dimer bound to 14-3-3 | | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | | Authors: | Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J. | | Deposit date: | 2020-06-04 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Dimerization Induced by C-Terminal 14-3-3 Binding Is Sufficient for BRAF Kinase Activation.
Biochemistry, 59, 2020
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8OYG
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