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7BJG
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BU of 7bjg by Molmil
Crystal structure of atypical Tm1 (Tm1-I/C), residues 262-363
Descriptor: SD21996p
Authors:Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J.
Deposit date:2021-01-14
Release date:2021-05-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex.
Genes Dev., 35, 2021
6OCO
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BU of 6oco by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6
Descriptor: 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Lesburg, C.A, Augustin, M.A.
Deposit date:2019-03-25
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6YYL
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BU of 6yyl by Molmil
Crystal structure of S. pombe Mei2 RRM3 domain
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Meiosis protein mei2, ...
Authors:Graille, M, Hazra, D.
Deposit date:2020-05-05
Release date:2020-12-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A scaffold lncRNA shapes the mitosis to meiosis switch.
Nat Commun, 12, 2021
8EN5
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BU of 8en5 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 56
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GII.4 P domain, ...
Authors:Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
7SXL
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BU of 7sxl by Molmil
Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Nieto, N, Chheda, P, Kerns, R, Nelson, S, Honzatko, R.
Deposit date:2021-11-23
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Promising antimalarials targeting apicoplast DNA polymerase from Plasmodium falciparum.
Eur.J.Med.Chem., 243, 2022
6YZA
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BU of 6yza by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-05-06
Release date:2020-12-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
7QOR
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BU of 7qor by Molmil
Structure of beta-lactamase TEM-171
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M.
Deposit date:2021-12-28
Release date:2022-07-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
9BCO
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BU of 9bco by Molmil
Intracellular domain of apo GC-A
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Atrial natriuretic peptide receptor 1
Authors:Liu, S, Huang, X.
Deposit date:2024-04-09
Release date:2024-11-27
Last modified:2025-03-26
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Architecture and activation of single-pass transmembrane receptor guanylyl cyclase.
Nat.Struct.Mol.Biol., 32, 2025
9BCP
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BU of 9bcp by Molmil
Kinase homology domain of apo GC-A
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Atrial natriuretic peptide receptor 1
Authors:Liu, S, Huang, X.
Deposit date:2024-04-09
Release date:2024-11-27
Last modified:2025-03-26
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Architecture and activation of single-pass transmembrane receptor guanylyl cyclase.
Nat.Struct.Mol.Biol., 32, 2025
7BIY
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BU of 7biy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175
Descriptor: 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-13
Release date:2021-06-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7QHN
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BU of 7qhn by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor
Descriptor: 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1
Authors:Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
Deposit date:2021-12-13
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
9BCS
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BU of 9bcs by Molmil
Intracellular domain of GC-A bound to ANP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Atrial natriuretic peptide receptor 1
Authors:Liu, S, Huang, X.
Deposit date:2024-04-09
Release date:2024-11-27
Last modified:2025-03-26
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Architecture and activation of single-pass transmembrane receptor guanylyl cyclase.
Nat.Struct.Mol.Biol., 32, 2025
6R5E
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BU of 6r5e by Molmil
Crystal structure of the Pri1 subunit of human primase bound to 2F-ATP
Descriptor: 1,2-ETHANEDIOL, 2-fluoro-ATP, DNA primase small subunit, ...
Authors:Kilkenny, M.L, Pellegrini, L.
Deposit date:2019-03-24
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Inhibition of Human Primase by Arabinofuranosyl Nucleoside Analogues Fludarabine and Vidarabine.
Acs Chem.Biol., 14, 2019
8EO5
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BU of 8eo5 by Molmil
Crystal structure of the class A beta-lactamase precursor LRA-5 from an Alaskan soil metagenome at 1.8 Angstrom resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LRA-5
Authors:Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S.
Deposit date:2022-10-02
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
6O6C
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BU of 6o6c by Molmil
RNA polymerase II elongation complex arrested at a CPD lesion
Descriptor: DNA (27-MER), DNA (5'-D(P*GP*GP*AP*GP*AP*AP*GP*GP*AP*GP*CP*AP*GP*AP*GP*C)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Lahiri, I, Leshziner, A.E.
Deposit date:2019-03-05
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:3.1 angstrom structure of yeast RNA polymerase II elongation complex stalled at a cyclobutane pyrimidine dimer lesion solved using streptavidin affinity grids.
J.Struct.Biol., 207, 2019
5LO1
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BU of 5lo1 by Molmil
HSP90 WITH indazole derivative
Descriptor: 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide, Heat shock protein HSP 90-alpha
Authors:Graedler, U, Amaral, M, Schuetz, D.
Deposit date:2016-08-08
Release date:2017-11-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
7D7Z
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BU of 7d7z by Molmil
Crystal Structure of the Domain1 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+), soaked in Mn2+
Descriptor: 18GAAA(52-MER), GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, H, Ren, A.M.
Deposit date:2020-10-06
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
8VII
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BU of 8vii by Molmil
EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with cysteine and hercynine
Descriptor: 1,2-ETHANEDIOL, CYSTEINE, MANGANESE (II) ION, ...
Authors:Ireland, K.A, Davis, K.M.
Deposit date:2024-01-04
Release date:2024-08-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 32, 2024
6R6I
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BU of 6r6i by Molmil
Crystal structure of transthyretin mutant A25T in complex with CHF5074, a flurbiprofen analogue
Descriptor: 1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid, PHOSPHATE ION, Transthyretin
Authors:Loconte, V, Menozzi, I, Ferrari, A, Berni, R, Zanotti, G.
Deposit date:2019-03-27
Release date:2019-09-11
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:Structure-activity relationships of flurbiprofen analogues as stabilizers of the amyloidogenic protein transthyretin.
J.Struct.Biol., 208, 2019
6OE1
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BU of 6oe1 by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-03-27
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
7THN
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BU of 7thn by Molmil
Crystal structure of PigI trapped with PigG using a proline adenosine vinylsulfonamide inhibitor
Descriptor: 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, AZIDE ION, GLYCEROL, ...
Authors:Corpuz, J.C, Podust, L.M.
Deposit date:2022-01-11
Release date:2022-11-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Essential Role of Loop Dynamics in Type II NRPS Biomolecular Recognition.
Acs Chem.Biol., 17, 2022
5H62
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BU of 5h62 by Molmil
Structure of Transferase mutant-C23S,C199S
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, Transferase, ...
Authors:Park, J.B, Yoo, Y, Kim, J.
Deposit date:2016-11-10
Release date:2017-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis for arginine glycosylation of host substrates by bacterial effector proteins.
Nat Commun, 9, 2018
8GZI
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BU of 8gzi by Molmil
Crystal Structure of ApiI in complex with SAH
Descriptor: 1,2-ETHANEDIOL, ApiI, GLYCEROL, ...
Authors:Zhou, J.H, Lu, J.Y.
Deposit date:2022-09-27
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.12209678 Å)
Cite:Crystal Structure of ApiI in complex with SAH
To Be Published
6GX6
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BU of 6gx6 by Molmil
Crystal structure of IMP3 RRM12 in complex with RNA (ACAC)
Descriptor: 1,2-ETHANEDIOL, Insulin-like growth factor 2 mRNA-binding protein 3, PHOSPHATE ION, ...
Authors:Jia, M, Gut, H, Chao, A.J.
Deposit date:2018-06-26
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of IMP3 RRM12 recognition of RNA.
RNA, 24, 2018
6Z56
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BU of 6z56 by Molmil
Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003208
Descriptor: 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase haspin
Authors:Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-26
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003208
To Be Published

244693

PDB entries from 2025-11-12

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