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5X8F
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BU of 5x8f by Molmil
Ternary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with AMP and its product analogue OSB-NCoA at 1.76 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
8WKN
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BU of 8wkn by Molmil
Cryo-EM structure of DSR2-DSAD1
Descriptor: SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI
Authors:Zhang, H, Li, Z, Li, X.Z.
Deposit date:2023-09-28
Release date:2024-05-01
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
5X8G
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BU of 5x8g by Molmil
Binary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with its product analogue OSB-NCoA at 1.90 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
7BRC
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BU of 7brc by Molmil
Crystal structure of the TMK3 LRR domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-like kinase TMK3
Authors:Chen, H, Kong, Y.Q, Chen, J, Li, L, Li, X.S, Yu, F, Ming, Z.H.
Deposit date:2020-03-27
Release date:2020-08-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of the extracellular domain of the receptor-like kinase TMK3 from Arabidopsis thaliana.
Acta Crystallogr.,Sect.F, 76, 2020
5ZGL
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BU of 5zgl by Molmil
hnRNP A1 segment GGGYGGS (residues 234-240)
Descriptor: 7-mer peptide from Heterogeneous nuclear ribonucleoprotein A1
Authors:Xie, M, Luo, F, Gui, X, Zhao, M, He, J, Li, D, Liu, C.
Deposit date:2018-03-09
Release date:2019-04-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
5ZGD
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BU of 5zgd by Molmil
hnRNPA1 reversible amyloid core GFGGNDNFG (residues 209-217) determined by X-ray
Descriptor: GLY-PHE-GLY-GLY-ASN-ASP-ASN-PHE-GLY
Authors:Gui, X, Xie, M, Zhao, M, Luo, F, He, J, Li, D, Liu, C.
Deposit date:2018-03-08
Release date:2019-04-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
5V7U
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BU of 5v7u by Molmil
Cyrstal structure of anti-Tau antibody CBTAU-22.1 Fab
Descriptor: CBTAU-22.1 Fab heavy chain, CBTAU-22.1 Fab light chain, SULFATE ION
Authors:Zhu, X, Zhang, H, Wilson, I.A.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
3E3R
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BU of 3e3r by Molmil
Crystal structure and biochemical characterization of recombinant human calcyphosine delineates a novel EF-hand-containing protein family
Descriptor: CALCIUM ION, Calcyphosin
Authors:Dong, H.
Deposit date:2008-08-07
Release date:2008-08-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal-structure and biochemical characterization of recombinant human calcyphosine delineates a novel EF-hand-containing protein family
J.Mol.Biol., 383, 2008
7XK2
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BU of 7xk2 by Molmil
Cryo-EM Structure of Human Niacin Receptor HCA2-Gi protein complex
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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:Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, DiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J.
Deposit date:2022-04-19
Release date:2023-02-22
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
8S9M
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BU of 8s9m by Molmil
DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9O
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BU of 8s9o by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9N
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BU of 8s9n by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8SDG
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BU of 8sdg by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutralizing antibody CC25.43 heavy chain, Neutralizing antibody CC25.43 light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-03-13
Last modified:2025-07-16
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Cell Rep, 44, 2025
8I88
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BU of 8i88 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA complex
Descriptor: Piwi domain-containing protein, RNA (5'-R(P*GP*A)-3'), TIR domain-containing protein
Authors:Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S.
Deposit date:2023-02-03
Release date:2023-07-05
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
4O1V
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BU of 4o1v by Molmil
SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein
Authors:Calabrese, M.F, Watson, E.R, Schulman, B.A.
Deposit date:2013-12-16
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
4IF2
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BU of 4if2 by Molmil
Structure of the phosphotriesterase from Mycobacterium tuberculosis
Descriptor: Phosphotriesterase homology protein, ZINC ION
Authors:Zhang, L, Li, X, Rao, Z.H.
Deposit date:2012-12-13
Release date:2013-12-18
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The crystal structure of the phosphotriesterase from M. tuberculosis, another member of phosphotriesterase-like lactonase family.
Biochem.Biophys.Res.Commun., 510, 2019
1W66
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BU of 1w66 by Molmil
Structure of a lipoate-protein ligase b from Mycobacterium tuberculosis
Descriptor: DECANOIC ACID, LIPOYLTRANSFERASE
Authors:Ma, Q, Wilmanns, M.
Deposit date:2004-08-13
Release date:2005-12-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The Mycobacterium Tuberculosis Lipb Enzyme Functions as a Cysteine/Lysine Dyad Acyltransferase.
Proc.Natl.Acad.Sci.USA, 103, 2006
6IRO
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BU of 6iro by Molmil
the crosslinked complex of ISWI-nucleosome in the ADP-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (167-MER), Histone H2A, ...
Authors:Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C.
Deposit date:2018-11-13
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat. Struct. Mol. Biol., 26, 2019
8DYP
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BU of 8dyp by Molmil
Crystal structure of human cystine transporter cystinosin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cystinosin, Nanobody P10, ...
Authors:Guo, X, Feng, L.
Deposit date:2022-08-04
Release date:2022-11-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
6A7A
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BU of 6a7a by Molmil
AKR1C1 complexed with new inhibitor with novel scaffold
Descriptor: (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Zhao, Y, Zhang, H, Chen, Y.
Deposit date:2018-07-02
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
6A7B
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BU of 6a7b by Molmil
AKR1C3 complexed with new inhibitor with novel scaffold
Descriptor: (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ...
Authors:Zheng, X, Zhao, Y, Zhang, H, Chen, Y.
Deposit date:2018-07-02
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
4JWF
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BU of 4jwf by Molmil
Crystal structure of spTrm10(74)-SAH complex
Descriptor: ACETIC ACID, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine(9)-N1)-methyltransferase
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
9I4H
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BU of 9i4h by Molmil
Factor Inhibiting HIF (FIH) in complex with manganese and 3-Hydroxy-5-(3-(4-(hydroxymethyl)-3-nitrophenyl)isoxazol-5-yl)picolinoyl)glycine
Descriptor: 2-[[5-[3-[4-(hydroxymethyl)-3-nitro-phenyl]-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, MANGANESE (II) ION
Authors:Kaur, S, Zhang, X.J, Schofield, C.J.
Deposit date:2025-01-24
Release date:2025-05-21
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Light-Induced, Lysine-Targeting Irreversible Covalent Inhibition of the Human Oxygen Sensing Hydroxylase Factor Inhibiting HIF (FIH).
J.Am.Chem.Soc., 147, 2025
4JR6
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BU of 4jr6 by Molmil
Crystal structure of DsbA from Mycobacterium tuberculosis (reduced)
Descriptor: Possible conserved membrane or secreted protein, SULFATE ION
Authors:Wang, L.
Deposit date:2013-03-21
Release date:2013-07-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c.
Protein Cell, 4, 2013
7F3B
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BU of 7f3b by Molmil
cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor.
Descriptor: 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL
Authors:Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W.
Deposit date:2021-06-16
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022

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