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8FG6
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Design of amyloidogenic peptide traps
分子名称: C104.1, amyloidogenic peptide
著者Sahtoe, D.D, Bera, A.K, Baker, D.
登録日2022-12-12
公開日2024-03-20
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of amyloidogenic peptide traps.
Nat.Chem.Biol., 20, 2024
6ZAX
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Nitrite-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at low dose (0.5 MGy)
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
著者Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S.
登録日2020-06-05
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
1KA1
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BU of 1ka1 by Molmil
The PAPase Hal2p complexed with calcium and magnesium ions and reaction substrate: PAP
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, CALCIUM ION, ...
著者Patel, S, Albert, A, Blundell, T.L.
登録日2001-10-31
公開日2001-11-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases.
J.Mol.Biol., 320, 2002
2BRI
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UMP KINASE FROM PYROCOCCUS FURIOSUS COMPLEXED WITH ITS SUBSTRATE ANALOG AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, URIDYLATE KINASE
著者Marco-Marin, C, Gil-Ortiz, F, Rubio, V.
登録日2005-05-05
公開日2005-07-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Crystal Structure of Pyrococcus Furiosus Ump Kinase Provides Insight Into Catalysis and Regulation in Microbial Pyrimidine Nucleotide Biosynthesis.
J.Mol.Biol., 352, 2005
6ZJC
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Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione and triethyltin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase, ...
著者Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P.
登録日2020-06-28
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Environ Pollut, 268, 2021
1K7J
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Structural Genomics, protein TF1
分子名称: Protein yciO, SULFATE ION
著者Zhang, R, Dementieva, I, Thorn, J, Donnelly, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2001-10-19
公開日2002-08-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Genomics, protein TF1
To be Published
8G3C
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BU of 8g3c by Molmil
Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor)
分子名称: N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide, WD repeat-containing protein 5
著者Zhao, M.
登録日2023-02-07
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
6Z3B
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Low resolution structure of RgNanOx
分子名称: CITRIC ACID, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Naismith, J.H, Lee, M.
登録日2020-05-19
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Uncovering a novel molecular mechanism for scavenging sialic acids in bacteria.
J.Biol.Chem., 295, 2020
8G3E
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Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)
分子名称: (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5
著者Zhao, M.
登録日2023-02-07
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
6ZP7
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BU of 6zp7 by Molmil
SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up open conformation)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Martinez, M, Marabini, R, Carazo, J.M.
登録日2020-07-08
公開日2020-07-29
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
6Z50
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Crystal structure of CLK1 in complex with macrocycle ODS2003208
分子名称: 1,2-ETHANEDIOL, 11,15-dimethyl-6-(oxan-4-yloxy)-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, Dual specificity protein kinase CLK1, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of CLK1 in complex with macrocycle ODS2003208
To Be Published
6Z5B
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BU of 6z5b by Molmil
Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003128
分子名称: 6-(2-methoxyethoxy)-11,15-dimethyl-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
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003128
To Be Published
1KB4
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BU of 1kb4 by Molmil
Crystal Structure of VDR DNA-binding Domain Bound to a Canonical Direct Repeat with Three Base Pair Spacer (DR3) Response Element
分子名称: 5'-D(*CP*AP*CP*AP*GP*GP*TP*CP*AP*CP*GP*AP*AP*GP*GP*TP*CP*A)-3', 5'-D(*TP*GP*AP*CP*CP*TP*TP*CP*GP*TP*GP*AP*CP*CP*TP*GP*TP*G)-3', Vitamin D3 Receptor, ...
著者Shaffer, P.L, Gewirth, D.T.
登録日2001-11-05
公開日2002-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of VDR-DNA interactions on direct repeat response elements.
EMBO J., 21, 2002
5FRN
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BU of 5frn by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ419 (compound 4c)
分子名称: 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ...
著者Maskell, D.P, Pye, V.E, Cherepanov, P.
登録日2015-12-18
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
1K51
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A G55A Mutation Induces 3D Domain Swapping in the B1 Domain of Protein L from Peptostreptococcus magnus
分子名称: Protein L, ZINC ION
著者O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J.
登録日2001-10-09
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
6ZOW
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BU of 6zow by Molmil
SARS-CoV-2 spike in prefusion state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Martinez, M, Marabini, R, Carazo, J.M.
登録日2020-07-07
公開日2020-07-29
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
6ZP5
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BU of 6zp5 by Molmil
SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up closed conformation)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Martinez, M, Marabini, R, Carazo, J.M.
登録日2020-07-08
公開日2020-07-29
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
1KB6
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BU of 1kb6 by Molmil
Crystal Structure of VDR DNA-binding Domain Bound to Rat Osteocalcin (OC) Response Element
分子名称: 5'-D(*CP*AP*CP*GP*GP*GP*TP*GP*AP*AP*TP*GP*AP*GP*GP*AP*CP*A)-3', 5'-D(*TP*GP*TP*CP*CP*TP*CP*AP*TP*TP*CP*AP*CP*CP*CP*GP*TP*G)-3', Vitamin D3 Receptor, ...
著者Shaffer, P.L, Gewirth, D.T.
登録日2001-11-05
公開日2002-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of VDR-DNA interactions on direct repeat response elements.
EMBO J., 21, 2002
6YUD
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Structure of Csx3/Crn3 from Archaeoglobus fulgidus in complex with cyclic tetra-adenylate (cA4)
分子名称: Cyclic tetraadenosine monophosphate (cA4), Uncharacterized protein AF_1864
著者McQuarrie, S, Gloster, T.M, White, M.F, Graham, S, Athukoralage, J.S, Gruschow, S.
登録日2020-04-27
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Tetramerisation of the CRISPR ring nuclease Crn3/Csx3 facilitates cyclic oligoadenylate cleavage.
Elife, 9, 2020
6YTZ
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Crystal structure of Malus domestica Double Bond Reductase (MdDBR) in complex with NADPH
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Double Bond Reductase, ...
著者Caliandro, R, Polsinelli, I, Demitri, N, Benini, S.
登録日2020-04-25
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates.
Int.J.Biol.Macromol., 171, 2021
8GN9
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SPFH domain of Pyrococcus horikoshii stomatin
分子名称: SODIUM ION, Stomatin homolog PH1511
著者Komatsu, T, Matsui, I, Yokoyama, H.
登録日2022-08-23
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and mutational studies suggest key residues to determine whether stomatin SPFH domains form dimers or trimers.
Biochem Biophys Rep, 32, 2022
1K52
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Monomeric Protein L B1 Domain with a K54G mutation
分子名称: Protein L, ZINC ION
著者O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J.
登録日2001-10-09
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
4Y0J
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BU of 4y0j by Molmil
H/D exchanged human carbonic anhydrase II pH 6 room temperature neutron crystal structure.
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z.
登録日2015-02-06
公開日2015-04-22
最終更新日2024-01-10
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer.
Proc.Natl.Acad.Sci.USA, 112, 2015
6XKB
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Crystal structure of SR-related and CTD-associated factor 4(SCAF4-CID)with peptide S2,S5p-CTD
分子名称: S2,S5p-CTD peptide, SR-related and CTD-associated factor 4, UNKNOWN ATOM OR ION
著者Zhou, M.Q, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2020-06-26
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the recognition of the S2, S5-phosphorylated RNA polymerase II CTD by the mRNA anti-terminator protein hSCAF4.
Febs Lett., 596, 2022
6XKM
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Room Temperature Structure of SARS-CoV-2 NSP10/NSP16 Methyltransferase in a Complex with SAM Determined by Fixed-Target Serial Crystallography
分子名称: 2'-O-methyltransferase, CHLORIDE ION, Non-structural protein 10, ...
著者Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-26
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021

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