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4WED
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BU of 4wed by Molmil
Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
Descriptor: ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ...
Authors:Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-09-09
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
to be published
4URA
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BU of 4ura by Molmil
Crystal structure of human JMJD2A in complex with compound 14a
Descriptor: 1,2-ETHANEDIOL, 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
Authors:Krojer, T, England, K.S, Vollmar, M, Crawley, L, Williams, E, Riesebos, E, Szykowska, A, Burgess-Brown, N, Oppermann, U, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2014-06-27
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
2RMK
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BU of 2rmk by Molmil
Rac1/PRK1 Complex
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1, ...
Authors:Modha, R, Campbell, L.J, Nietlispach, D, Buhecha, H.R, Owen, D, Mott, H.R.
Deposit date:2007-10-25
Release date:2007-11-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Rac1 Polybasic Region Is Required for Interaction with Its Effector PRK1
J.Biol.Chem., 283, 2008
8H3J
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BU of 8h3j by Molmil
Crystal Structure of Pathogenesis-related Protein HcPR10 from Halostachys caspica in complex with trans-Zeatin-riboside
Descriptor: N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, PR10
Authors:Wang, Z, Ren, Y.
Deposit date:2022-10-08
Release date:2023-05-17
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Halostachys caspica pathogenesis-related protein 10 acts as a cytokinin reservoir to regulate plant growth and development.
Front Plant Sci, 14, 2023
8HN7
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BU of 8hn7 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ...
Authors:Qi, J, Chen, Y.
Deposit date:2022-12-07
Release date:2023-05-17
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
2ROK
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BU of 2rok by Molmil
Solution structure of the cap-binding domain of PARN complexed with the cap analog
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, poly(A)-specific ribonuclease
Authors:Nagata, T, Suzuki, S, Endo, R, Shirouzu, M, Terada, T, Inoue, M, Kigawa, T, Guntert, P, Hayashizaki, Y, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-03-28
Release date:2009-02-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The RRM domain of poly(A)-specific ribonuclease has a noncanonical binding site for mRNA cap analog recognition.
Nucleic Acids Res., 36, 2008
4UTT
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BU of 4utt by Molmil
Structural characterisation of NanE, ManNac6P C2 epimerase, from Clostridium perfingens
Descriptor: ACETATE ION, CHLORIDE ION, PUTATIVE N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE
Authors:Pelissier, M.C, Sebban-Kreuzer, C, Guerlesquin, F, Brannigan, J.A, Davies, G.J, Bourne, Y, Vincent, F.
Deposit date:2014-07-23
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway.
J.Biol.Chem., 289, 2014
8H6C
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BU of 8h6c by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with malonyl-CoA
Descriptor: Histone acetyltransferase KAT2A, MALONYL-COENZYME A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-16
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
4UXB
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BU of 4uxb by Molmil
Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor PJ34
Descriptor: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, POLY ADP-RIBOSE POLYMERASE 1, SULFATE ION
Authors:Tresaugues, L, Thorsell, A.G, Karlberg, T, Schuler, H.
Deposit date:2014-08-21
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
2STT
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BU of 2stt by Molmil
SOLUTION NMR STRUCTURE OF THE HUMAN ETS1/DNA COMPLEX, 25 STRUCTURES
Descriptor: DNA (5'-D(*TP*CP*GP*AP*AP*CP*TP*TP*CP*CP*GP*GP*CP*TP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*CP*CP*GP*GP*AP*AP*GP*TP*TP*CP*GP*A)-3'), ETS1
Authors:Clore, G.M, Werner, M.H, Gronenborn, A.M.
Deposit date:1996-08-05
Release date:1997-03-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Correction of the NMR structure of the ETS1/DNA complex.
J.Biomol.NMR, 10, 1997
8H9U
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BU of 8h9u by Molmil
Human ATP synthase state 3a (combined)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F(0) complex subunit B1, ...
Authors:Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z.
Deposit date:2022-10-25
Release date:2023-05-31
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structure of the human ATP synthase.
Mol.Cell, 83, 2023
2TCI
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BU of 2tci by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL
Descriptor: THIOCYANATE INSULIN, THIOCYANATE ION, ZINC ION
Authors:Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G.
Deposit date:1995-09-13
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol.
Biochemistry, 34, 1995
4UZC
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BU of 4uzc by Molmil
KSHV LANA (ORF73) C-terminal domain, spiral: hexagonal crystal form
Descriptor: ORF 73
Authors:Hellert, J, Krausze, J, Luhrs, T.
Deposit date:2014-09-05
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The 3D Structure of Kaposi Sarcoma Herpesvirus Lana C-Terminal Domain Bound to DNA.
Proc.Natl.Acad.Sci.USA, 112, 2015
4V45
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BU of 4v45 by Molmil
E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-F-GALACTOSYL-ENZYME INTERMEDIATE
Descriptor: 2-deoxy-2-fluoro-beta-D-galactopyranose, Beta-Galactosidase, MAGNESIUM ION, ...
Authors:Juers, D.H, McCarter, J.D, Withers, S.G, Matthews, B.W.
Deposit date:2001-09-13
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase
Biochemistry, 40, 2001
8H3M
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BU of 8h3m by Molmil
Conformation 1 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy chain, Spike glycoprotein
Authors:Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y.
Deposit date:2022-10-09
Release date:2023-05-10
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants.
J.Virol., 97, 2023
4V4M
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BU of 4v4m by Molmil
1.45 Angstrom Structure of STNV coat protein
Descriptor: CALCIUM ION, Coat protein
Authors:Lane, S.W, Dennis, C.A, Lane, C.L, Trinh, C.H, Rizkallah, P.J, Stockley, P.G, Phillips, S.E.V.
Deposit date:2011-04-28
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Construction and crystal structure of recombinant STNV capsids.
J.Mol.Biol., 413, 2011
8H56
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BU of 8h56 by Molmil
Crystal structure of Rep' of porcine circovirus type 2
Descriptor: Isoform Rep' of Replication-associated protein
Authors:Guan, S.Y, Song, Y.F.
Deposit date:2022-10-12
Release date:2023-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of the dimerized of porcine circovirus type II replication-related protein Rep'.
Proteins, 91, 2023
2RP3
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BU of 2rp3 by Molmil
Solution Structure of Cyanovirin-N Domain B Mutant
Descriptor: Cyanovirin-N
Authors:Matei, E, Furey, W, Gronenborn, A.M.
Deposit date:2008-04-30
Release date:2008-08-19
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Solution and crystal structures of a sugar binding site mutant of cyanovirin-N: no evidence of domain swapping
Structure, 16, 2008
8H9V
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BU of 8h9v by Molmil
Human ATP synthase state 3b (combined)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F(0) complex subunit B1, ...
Authors:Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z.
Deposit date:2022-10-25
Release date:2023-05-31
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structure of the human ATP synthase.
Mol.Cell, 83, 2023
2RPN
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BU of 2rpn by Molmil
A crucial role for high intrinsic specificity in the function of yeast SH3 domains
Descriptor: Actin-binding protein, Actin-regulating kinase 1
Authors:Stollar, E.J, Garcia, B, Chong, A, Forman-Kay, J, Davidson, A.
Deposit date:2008-06-12
Release date:2009-06-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural, functional, and bioinformatic studies demonstrate the crucial role of an extended peptide binding site for the SH3 domain of yeast Abp1p
J.Biol.Chem., 284, 2009
4V8T
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BU of 4v8t by Molmil
Cryo-EM Structure of the 60S Ribosomal Subunit in Complex with Arx1 and Rei1
Descriptor: 25S RIBOSOMAL RNA, 5.8S RIBOSOMAL RNA, 5S RIBOSOMAL RNA, ...
Authors:Greber, B.J, Boehringer, D, Montellese, C, Ban, N.
Deposit date:2012-08-07
Release date:2014-07-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.1 Å)
Cite:Cryo-Em Structures of Arx1 and Maturation Factors Rei1 and Jjj1 Bound to the 60S Ribosomal Subunit
Nat.Struct.Mol.Biol., 19, 2012
8HFA
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BU of 8hfa by Molmil
The structure of chitin deacetylase VdPDA1 from Verticillium dahliae
Descriptor: NodB homology domain-containing protein, ZINC ION
Authors:Liu, L, Zhou, Y, Yang, Q.
Deposit date:2022-11-10
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
2RI3
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BU of 2ri3 by Molmil
Crystal structure of the 3-MBT repeats from human L3MBTL1 with N358Q point mutation
Descriptor: DI(HYDROXYETHYL)ETHER, Lethal(3)malignant brain tumor-like protein
Authors:Li, H, Patel, D.J.
Deposit date:2007-10-10
Release date:2007-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Lower Lysine Methylation State-Specific Readout by MBT Repeats of L3MBTL1 and an Engineered PHD Finger.
Mol.Cell, 28, 2007
4V96
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BU of 4v96 by Molmil
The structure of a 1.8 MDa viral genome injection device suggests alternative infection mechanisms
Descriptor: BPP, ORF46, ORF48
Authors:Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V, van Sinderen, D, Cambillau, C.
Deposit date:2012-02-01
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
8HB9
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BU of 8hb9 by Molmil
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Guo, G, Wang, B, Liu, J, Liu, Q.
Deposit date:2022-10-27
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor.
Eur.J.Med.Chem., 256, 2023

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