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4ARI
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BU of 4ari by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole AN2679 in the editing conformation
Descriptor: GLYCEROL, LEUCINE--TRNA LIGASE, MAGNESIUM ION, ...
Authors:Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Nat.Struct.Mol.Biol., 19, 2012
6R75
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BU of 6r75 by Molmil
Crystal structure of human Ube2T E54R mutant
Descriptor: Ubiquitin-conjugating enzyme E2 T
Authors:Chaugule, V.K, Rennie, M.L, Walden, H, Arkinson, C, Kamarainen, O, Toth, R.
Deposit date:2019-03-28
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric mechanism for site-specific ubiquitination of FANCD2.
Nat.Chem.Biol., 16, 2020
9C6K
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BU of 9c6k by Molmil
Cryo-EM structure of the TPP riboswitch embedded in an RNA scaffold bound to thiamine pyrophosphate
Descriptor: MAGNESIUM ION, SODIUM ION, THIAMINE DIPHOSPHATE, ...
Authors:Toor, N.
Deposit date:2024-06-07
Release date:2024-12-04
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Scaffold-enabled high-resolution cryo-EM structure determination of RNA.
Nat Commun, 16, 2025
7E2O
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BU of 7e2o by Molmil
X-ray Crystal structure of PPARgamma R288H mutant.
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Egawa, D, Itoh, T.
Deposit date:2021-02-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Insights into the Loss-of-Function R288H Mutant of Human PPAR gamma.
Biol.Pharm.Bull., 44, 2021
6EQU
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BU of 6equ by Molmil
X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor
Descriptor: 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2017-10-15
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor.
J Enzyme Inhib Med Chem, 33, 2018
5INP
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BU of 5inp by Molmil
Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Mn2+ complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(P*CP*CP*GP*AP*AP*TP*TP*CP*G)-3'), MANGANESE (II) ION, ...
Authors:Schellenberg, M.J, Williams, R.S.
Deposit date:2016-03-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
4AML
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BU of 4aml by Molmil
CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 1 IN COMPLEX WITH GLYCOSYLURETHAN
Descriptor: 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, GLYCEROL
Authors:Schwefel, D, Maierhofer, C, Beck, J.G, Seeberger, S, Diederichs, K, Moeller, H.M, Welte, W, Wittmann, V.
Deposit date:2012-03-12
Release date:2012-04-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
5I5T
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BU of 5i5t by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.31A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDROQUINOLINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide, 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2016-02-15
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
7Z87
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BU of 7z87 by Molmil
DNA-PK in the active state
Descriptor: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ...
Authors:Liang, S, Blundell, T.L.
Deposit date:2022-03-16
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
5IBH
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BU of 5ibh by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h
Descriptor: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.0201 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
7Z88
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BU of 7z88 by Molmil
DNA-PK in the intermediate state
Descriptor: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ...
Authors:Liang, S, Blundell, T.L.
Deposit date:2022-03-16
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
6BCD
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BU of 6bcd by Molmil
Crystal structure of Rev7-K44A/R124A/A135D in complex with Rev3-RBM2 (residues 1988-2014)
Descriptor: DNA polymerase zeta catalytic subunit, Mitotic spindle assembly checkpoint protein MAD2B
Authors:Rizzo, A.A, Hao, B, Li, Y, Korzhnev, D.M.
Deposit date:2017-10-20
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Rev7 dimerization is important for assembly and function of the Rev1/Pol zeta translesion synthesis complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
9B54
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BU of 9b54 by Molmil
Biased agonist bound CB1-Gi structure
Descriptor: Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rangari, V.A, O'Brien, E.S, Kobilka, B.K, Krishna Kumar, K, Majumdar, S.
Deposit date:2024-03-22
Release date:2025-03-05
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:A cryptic pocket in CB1 drives peripheral and functional selectivity.
Nature, 640, 2025
5NMC
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BU of 5nmc by Molmil
Crystal structure of Zn3-hUb(human ubiquitin) adduct from a solution 70 mM zinc acetate/20% v/v TFE/1.3 mM hUb
Descriptor: ACETATE ION, Polyubiquitin-C, ZINC ION
Authors:Fermani, S, Falini, G.
Deposit date:2017-04-05
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Aggregation Pathways of Native-Like Ubiquitin Promoted by Single-Point Mutation, Metal Ion Concentration, and Dielectric Constant of the Medium.
Chemistry, 24, 2018
7B9V
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BU of 7b9v by Molmil
Yeast C complex spliceosome at 2.8 Angstrom resolution with Prp18/Slu7 bound
Descriptor: 5' exon of UBC4 mRNA, BJ4_G0027490.mRNA.1.CDS.1, BJ4_G0054360.mRNA.1.CDS.1, ...
Authors:Wilkinson, M.E, Fica, S.M, Galej, W.P, Nagai, K.
Deposit date:2020-12-14
Release date:2021-03-10
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for conformational equilibrium of the catalytic spliceosome.
Mol.Cell, 81, 2021
5IBD
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BU of 5ibd by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 24a
Descriptor: 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
6DGJ
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BU of 6dgj by Molmil
Cronobacter turicensis RpfR quorum-sensing receptor PAS domain in complex with BDSF
Descriptor: (2Z)-dodec-2-enoic acid, RpfR
Authors:Waldron, E.J, Neiditch, M.B.
Deposit date:2018-05-17
Release date:2019-01-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Structural basis of DSF recognition by its receptor RpfR and its regulatory interaction with the DSF synthase RpfF.
PLoS Biol., 17, 2019
6B5Q
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BU of 6b5q by Molmil
DCN1 bound to 38
Descriptor: DCN1-like protein 1, Peptidomimetic Inhibitors DI-591, TRIETHYLENE GLYCOL
Authors:Stuckey, J.
Deposit date:2017-09-29
Release date:2018-02-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction.
J. Med. Chem., 61, 2018
1EXU
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BU of 1exu by Molmil
CRYSTAL STRUCTURE OF THE HUMAN MHC-RELATED FC RECEPTOR
Descriptor: BETA-2-MICROGLOBULIN, BETA-MERCAPTOETHANOL, IGG RECEPTOR FCRN LARGE SUBUNIT P51
Authors:West Jr, A.P, Bjorkman, P.J.
Deposit date:2000-05-04
Release date:2000-08-10
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure and immunoglobulin G binding properties of the human major histocompatibility complex-related Fc receptor(,).
Biochemistry, 39, 2000
6BC8
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BU of 6bc8 by Molmil
Crystal structure of Rev7-R124A/Rev3-RBM2 (residues 1988-2014) complex
Descriptor: ACETATE ION, DNA polymerase zeta catalytic subunit, Mitotic spindle assembly checkpoint protein MAD2B, ...
Authors:Rizzo, A.A, Hao, B, Li, Y, Korzhnev, D.M.
Deposit date:2017-10-20
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Rev7 dimerization is important for assembly and function of the Rev1/Pol zeta translesion synthesis complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
9FIK
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BU of 9fik by Molmil
Structure of the FAB fragment of the Antibody NTF30037 in complex with NTF3
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NTF30037 Heavy Chain, ...
Authors:Gallego, P, Aagaard, A, Sjogren, T, Chin, S, Neal, F.
Deposit date:2024-05-29
Release date:2025-04-02
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification of unique binding mode anti-NTF3 antibodies from a novel long VH CDR3 phage display library.
Slas Discov, 31, 2025
3D84
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BU of 3d84 by Molmil
Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex with the Potent and Selective Inhibitor 2.4-Diamino-6-(-2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine
Descriptor: Dihydrofolate reductase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V.
Deposit date:2008-05-22
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Acta Crystallogr.,Sect.D, 64, 2008
1OZM
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BU of 1ozm by Molmil
Y106F mutant of Z. mobilis TGT
Descriptor: Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G.
Deposit date:2003-04-09
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
1P0B
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BU of 1p0b by Molmil
Crystal Structure Of tRNA-Guanine Transglycosylase (TGT) From Zymomonas mobilis Complexed With Archaeosine Precursor, Preq0
Descriptor: 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G.
Deposit date:2003-04-10
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
4AS1
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BU of 4as1 by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole AN2679 in the editing conformation
Descriptor: LEUCINE--TRNA LIGASE, MAGNESIUM ION, TRNA-LEU5 (UAA ISOACEPTOR)
Authors:Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S.
Deposit date:2012-04-27
Release date:2012-06-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Nat.Struct.Mol.Biol., 19, 2012

238895

數據於2025-07-16公開中

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