5MKW
 
 | | Crystal structure of the human ZRANB3 HNH domain | | Descriptor: | DNA annealing helicase and endonuclease ZRANB3, GLYCEROL, ZINC ION | | Authors: | Ariza, A. | | Deposit date: | 2016-12-05 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into the function of ZRANB3 in replication stress response.
Nat Commun, 8, 2017
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6RAI
 | | Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ... | | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | | Deposit date: | 2019-04-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
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7RE6
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6RAT
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7RMB
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-78 | | Descriptor: | 3C-like proteinase, 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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8UYI
 | | Structure of ADP-bound and phosphorylated Pediculus humanus (Ph) PINK1 dimer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase Pink1, ... | | Authors: | Gan, Z.Y, Kirk, N.S, Leis, A, Komander, D. | | Deposit date: | 2023-11-13 | | Release date: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Interaction of PINK1 with nucleotides and kinetin.
Sci Adv, 10, 2024
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7RN4
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-69 | | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-07-29 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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7Z1P
 | | X-ray crystal structure of SLPYL1-E151D mutant | | Descriptor: | SLPYL1-E151D | | Authors: | Infantes, L, Albert, A. | | Deposit date: | 2022-02-25 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop.
Front Plant Sci, 13, 2022
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4Z91
 | | ELIC cocrystallized with isofluorane in a desensitized state | | Descriptor: | (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 1.7.6 3-bromanylpropan-1-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Chen, Q, Kinde, M.N, Arjunan, P, Cohen, A, Xu, Y, Tang, P. | | Deposit date: | 2015-04-09 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3915 Å) | | Cite: | Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.
Sci Rep, 5, 2015
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5KX4
 | | Structure of SALO | | Descriptor: | 10.7 kDa salivary protein | | Authors: | Asojo, O.A. | | Deposit date: | 2016-07-20 | | Release date: | 2016-07-27 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure of SALO, a leishmaniasis vaccine candidate from the sand fly Lutzomyia longipalpis.
PLoS Negl Trop Dis, 11, 2017
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8OG8
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline, ACETATE ION, ... | | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | | Deposit date: | 2023-03-19 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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5HPS
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8OJS
 | | Crystal structure of the human IgD Fab - structure Fab1 | | Descriptor: | 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ... | | Authors: | Davies, A.M, Beavil, R.L, McDonnell, J.M. | | Deposit date: | 2023-03-24 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
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1BU5
 | | X-RAY CRYSTAL STRUCTURE OF THE DESULFOVIBRIO VULGARIS (HILDENBOROUGH) APOFLAVODOXIN-RIBOFLAVIN COMPLEX | | Descriptor: | PROTEIN (FLAVODOXIN), RIBOFLAVIN, SULFATE ION | | Authors: | Walsh, M.A, Mccarthy, A, O'Farrell, P.A, Mccardle, P, Cunningham, P.D, Mayhew, S.G, Higgins, T.M. | | Deposit date: | 1998-09-12 | | Release date: | 1999-02-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | X-ray crystal structure of the Desulfovibrio vulgaris (Hildenborough) apoflavodoxin-riboflavin complex.
Eur.J.Biochem., 258, 1998
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5L7E
 | | MCR IN COMPLEX WITH ligand | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Edman, K, Aagaard, A, Backstrom, S, Xue, Y. | | Deposit date: | 2016-06-03 | | Release date: | 2016-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
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6FQM
 | | 3.06A COMPLEX OF S.AUREUS GYRASE with imidazopyrazinone T1 AND DNA | | Descriptor: | 7-[(3~{S})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*T)-3'), DNA gyrase subunit A, ... | | Authors: | Bax, B.D, Germe, T, Basque, E, Maxwell, A. | | Deposit date: | 2018-02-14 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
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6Y9R
 | | Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | | Descriptor: | ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ... | | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | | Deposit date: | 2020-03-10 | | Release date: | 2020-05-20 | | Last modified: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
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6BP2
 | | Therapeutic human monoclonal antibody MR191 bound to a marburgvirus glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Envelope glycoprotein GP2, ... | | Authors: | King, L.B, Fusco, M.L, Flyak, A.I, Ilinykh, P.A, Huang, K, Gunn, B, Kirchdoerfer, R.N, Hastie, K.M, Sangha, A.K, Meiler, J, Alter, G, Bukreyev, A, Crowe, J.E.J, Saphire, E.O. | | Deposit date: | 2017-11-21 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.172 Å) | | Cite: | The Marburgvirus-Neutralizing Human Monoclonal Antibody MR191 Targets a Conserved Site to Block Virus Receptor Binding.
Cell Host Microbe, 23, 2018
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4TQA
 | | Crystal Structure of a GDP-bound G13D Oncogenic Mutant of Human GTPase KRas | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | | Deposit date: | 2014-06-10 | | Release date: | 2015-06-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
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5EL7
 | | Structure of T. thermophilus 70S ribosome complex with mRNA and tRNALys in the A-site with a U-U mismatch in the second position and antibiotic paromomycin | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Rozov, A, Demeshkina, N, Khusainov, I, Yusupov, M, Yusupova, G. | | Deposit date: | 2015-11-04 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Novel base-pairing interactions at the tRNA wobble position crucial for accurate reading of the genetic code.
Nat Commun, 7, 2016
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3NL5
 | | The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | | Deposit date: | 2010-06-21 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
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4ZC3
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5F1V
 | | biomimetic design results in a potent allosteric inhibitor of dihydrodipicolinate synthase from Campylobacter jejuni | | Descriptor: | (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ... | | Authors: | Conly, C.J.T, Palmer, D.R.J, Sanders, D.A.R. | | Deposit date: | 2015-11-30 | | Release date: | 2016-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biomimetic Design Results in a Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase from Campylobacter jejuni.
J.Am.Chem.Soc., 138, 2016
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7RBW
 | | Structure of Biliverdin-binding Serpin of Boana punctata (polka-dot tree frog) | | Descriptor: | BILIVERDINE IX ALPHA, Biliverdin bindin serpin | | Authors: | Fedorov, E, Manoilov, K.Y, Verkhusha, V, Almo, S.C, Ghosh, A. | | Deposit date: | 2021-07-06 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and Functional Characterization of a Biliverdin-Binding Near-Infrared Fluorescent Protein From the Serpin Superfamily.
J.Mol.Biol., 434, 2021
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8OG9
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4 | | Descriptor: | 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1 | | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | | Deposit date: | 2023-03-19 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.945 Å) | | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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