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2RUK
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BU of 2ruk by Molmil
Solution structure of the complex between p53 transactivation domain 2 and TFIIH p62 PH domain
Descriptor: Cellular tumor antigen p53, General transcription factor IIH subunit 1
Authors:Okuda, M, Nishimura, Y.
Deposit date:2014-09-24
Release date:2014-10-15
Last modified:2022-08-24
Method:SOLUTION NMR
Cite:Extended string binding mode of the phosphorylated transactivation domain of tumor suppressor p53.
J.Am.Chem.Soc., 136, 2014
3ILO
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BU of 3ilo by Molmil
Crystal structure of E. coli HPPK(D97A) in complex with MgAMPCPP and 6-hydroxymethyl-7,8-dihydropterin
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ...
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-08-07
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural and functional roles of residues D95 and D97 in E. coli HPPK
To be Published
3IP0
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BU of 3ip0 by Molmil
Crystal structure of E. coli HPPK in complex with MgAMPCPP and 6-hydroxymethylpterin/6-carboxypterin
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-CARBOXYPTERIN, 6-HYDROXYMETHYLPTERIN, ...
Authors:Blaszczyk, J, Ji, X.
Deposit date:2009-08-15
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Dynamic roles of arginine residues 82 and 92 of Escherichia coli 6-hydroxymethyl-7,8-dihydroptein pyrophosphokinase: Crystallographic studies
Biochemistry, 42, 2003
6MSC
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BU of 6msc by Molmil
Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors
Descriptor: 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ...
Authors:Jakob, C.G.
Deposit date:2018-10-16
Release date:2019-01-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
8HCG
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BU of 8hcg by Molmil
Crystal structure of mTREX1-dAMP complex
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Hsiao, Y.Y, Huang, K.W, Wu, C.Y.
Deposit date:2022-11-01
Release date:2023-11-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids.
Nucleic Acids Res., 51, 2023
6IJH
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BU of 6ijh by Molmil
Crystal structure of PDE10 in complex with inhibitor AF-399/14387019
Descriptor: 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B.
Deposit date:2018-10-10
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
6CFB
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BU of 6cfb by Molmil
Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti
Descriptor: barrettide A
Authors:Rosengren, K.J, Carstens, B.B, Clark, R.J, Goransson, U.
Deposit date:2018-02-14
Release date:2018-03-21
Last modified:2020-01-01
Method:SOLUTION NMR
Cite:Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti.
J. Nat. Prod., 78, 2015
6CEI
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BU of 6cei by Molmil
Solution NMR Structure of Conotoxin GXIA from Conus geographus
Descriptor: GXIA
Authors:Armstrong, D.A, Rosengren, K.J.
Deposit date:2018-02-12
Release date:2018-03-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Chemical Synthesis and NMR Solution Structure of Conotoxin GXIA from Conus geographus .
Mar Drugs, 19, 2021
6CCW
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BU of 6ccw by Molmil
Hybrid-2 form Human Telomeric G Quadruplex in Complex with Epiberberine
Descriptor: DNA (26-MER), Epiberberine
Authors:Lin, C, Yang, D.Z.
Deposit date:2018-02-07
Release date:2018-06-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular Recognition of the Hybrid-2 Human Telomeric G-Quadruplex by Epiberberine: Insights into Conversion of Telomeric G-Quadruplex Structures.
Angew. Chem. Int. Ed. Engl., 57, 2018
6IFY
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BU of 6ify by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-CTR1
Descriptor: CTR1, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ...
Authors:You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
Deposit date:2018-09-21
Release date:2018-12-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6MSA
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BU of 6msa by Molmil
Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors
Descriptor: 7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ...
Authors:Jakob, C.G.
Deposit date:2018-10-16
Release date:2019-01-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
3ILJ
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BU of 3ilj by Molmil
Crystal structure of E. coli HPPK(D95A) in complex with MgAMPCPP
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION, ...
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-08-07
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and functional roles of residues D95 and D97 in E. coli HPPK
To be Published
3J8A
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BU of 3j8a by Molmil
Structure of the F-actin-tropomyosin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:von der Ecken, J, Mueller, M, Lehman, W, Manstein, J.M, Penczek, A.P, Raunser, S.
Deposit date:2014-10-08
Release date:2014-12-10
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the F-actin--tropomyosin complex.
Nature, 519, 2015
6FM7
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BU of 6fm7 by Molmil
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in complex with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Pozzi, C, De Luca, F, Benvenuti, M, Di Pisa, F, Docquier, J.D, Mangani, S.
Deposit date:2018-01-30
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
3PXU
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BU of 3pxu by Molmil
Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei bound to dephospho-coenzyme A
Descriptor: DEPHOSPHO COENZYME A, GLYCEROL, Phosphopantetheine adenylyltransferase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-12-10
Release date:2010-12-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 67, 2011
2VUG
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BU of 2vug by Molmil
The structure of an archaeal homodimeric RNA ligase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PAB1020, ...
Authors:Brooks, M.A, Meslet-Cladiere, L, Graille, M, Kuhn, J, Blondeau, K, Myllykallio, H, van Tilbeurgh, H.
Deposit date:2008-05-26
Release date:2008-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of an archaeal homodimeric ligase which has RNA circularization activity.
Protein Sci., 17, 2008
4JAJ
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BU of 4jaj by Molmil
Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE
Descriptor: Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one
Authors:Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S.
Deposit date:2013-02-18
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6C41
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BU of 6c41 by Molmil
The clavanin peptide in the presence of TFE (2,2,2-trifluoroethanol), presented a amphipathic alpha-helices from Phe-2 to Val-22 residues
Descriptor: Clavanin-A
Authors:Alves, E.S.F, Liao, L.M.
Deposit date:2018-01-11
Release date:2018-02-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Studies of a Lipid-Binding Peptide from Tunicate Hemocytes with Anti-Biofilm Activity.
Sci Rep, 6, 2016
6FM6
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BU of 6fm6 by Molmil
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes
Descriptor: Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL
Authors:Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S.
Deposit date:2018-01-30
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
6CEG
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BU of 6ceg by Molmil
Solution NMR structure of the omega conotoxin MoVIB from Conus moncuri
Descriptor: conotoxin MoVIB
Authors:Rosengren, K.J.
Deposit date:2018-02-11
Release date:2018-03-07
Last modified:2020-01-01
Method:SOLUTION NMR
Cite:Novel analgesic omega-conotoxins from the vermivorous cone snail Conus moncuri provide new insights into the evolution of conopeptides.
Sci Rep, 8, 2018
6FTX
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BU of 6ftx by Molmil
Structure of the chromatin remodelling enzyme Chd1 bound to a ubiquitinylated nucleosome
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chromatin-remodeling ATPase, ...
Authors:Sundaramoorthy, R, Owen-hughes, T, Norman, D.G, Hughes, A.
Deposit date:2018-02-25
Release date:2018-08-08
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of the chromatin remodelling enzyme Chd1 bound to a ubiquitinylated nucleosome.
Elife, 7, 2018
6BXD
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BU of 6bxd by Molmil
Crystal structure of Variable Lymphocyte Receptor 2 (VLR2)
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, SULFATE ION, Variable Lymphocyte Receptor 2
Authors:Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R.
Deposit date:2017-12-18
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.103 Å)
Cite:VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies.
J. Mol. Biol., 430, 2018
3P83
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BU of 3p83 by Molmil
Structure of the PCNA:RNase HII complex from Archaeoglobus fulgidus.
Descriptor: DNA polymerase sliding clamp, Ribonuclease HII
Authors:Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P.
Deposit date:2010-10-13
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:PCNA directs type 2 RNase H activity on DNA replication and repair substrates.
Nucleic Acids Res., 39, 2011
3HPA
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BU of 3hpa by Molmil
Crystal structure of an amidohydrolase gi:44264246 from an evironmental sample of sargasso sea
Descriptor: AMIDOHYDROLASE, ZINC ION
Authors:Fedorov, A.A, Fedorov, E.V, Toro, R, Raushel, F.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-06-03
Release date:2009-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The hunt for 8-oxoguanine deaminase.
J.Am.Chem.Soc., 132, 2010
2WBE
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BU of 2wbe by Molmil
Kinesin-5-Tubulin Complex with AMPPNP
Descriptor: BIPOLAR KINESIN KRP-130, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Bodey, A.J, Kikkawa, M, Moores, C.A.
Deposit date:2009-02-26
Release date:2009-03-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:9-Angstrom Structure of a Microtubule-Bound Mitotic Motor.
J.Mol.Biol., 388, 2009

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數據於2024-10-09公開中

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