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2NAA
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BU of 2naa by Molmil
NSD1-PHD_5-C5HCH tandem domain structure
分子名称: Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, ZINC ION
著者Berardi, A, Quilici, G, Spiliotopoulos, D, Musco, G.
登録日2015-12-22
公開日2016-03-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016
2NAB
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BU of 2nab by Molmil
Nizp1-C2HR zinc finger structure
分子名称: ZINC ION, Zinc finger protein 496
著者Berardi, A, Quilici, G, Spiliotopoulos, D, Corral-Rodriguez, M, Martin, F, Degano, M, Tonon, G, Musco, G.
登録日2015-12-22
公開日2016-03-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016
2NS9
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BU of 2ns9 by Molmil
Crystal structure of protein APE2225 from Aeropyrum pernix K1, Pfam COXG
分子名称: Hypothetical protein APE2225, PHOSPHATE ION
著者Jin, X, Bera, A, Wasserman, S, Smith, D, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-11-03
公開日2006-11-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of hypothetical protein APE2225 from Aeropyrum pernix K1
To be Published
2NPO
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BU of 2npo by Molmil
Crystal structure of putative transferase from Campylobacter jejuni subsp. jejuni NCTC 11168
分子名称: Acetyltransferase
著者Jin, X, Bera, A, Wasserman, S, Smith, D, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-10-27
公開日2006-11-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of putative transferase from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
7OFN
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BU of 7ofn by Molmil
NMR solution structure of the SYLF domain of Burkholderia pseudomallei BPSL1445
分子名称: Lipoprotein
著者Quilici, G, Berardi, A, Musco, G.
登録日2021-05-05
公開日2021-12-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution Structure of the BPSL1445 Protein of Burkholderia pseudomallei Reveals the SYLF Domain Three-Dimensional Fold.
Acs Chem.Biol., 17, 2022
6R2X
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BU of 6r2x by Molmil
NMR structure of Chromogranin A (F39-D63)
分子名称: Chromogranin-A
著者Nardelli, F, Quilici, G, Ghitti, M, Curnis, F, Gori, A, Berardi, A, Corti, A, Musco, G.
登録日2019-03-19
公開日2019-12-04
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A stapled chromogranin A-derived peptide is a potent dual ligand for integrins alpha v beta 6 and alpha v beta 8.
Chem.Commun.(Camb.), 55, 2019
2LH8
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BU of 2lh8 by Molmil
Syrian hamster prion protein with thiamine
分子名称: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Major prion protein
著者Perez-Pineiro, R, Bjorndahl, T.C, Berjanskii, M, Hau, D, Li, L, Huang, A, Lee, R, Gibbs, E, Ladner, C, Wei Dong, Y, Abera, A, Cashman, N.R, Wishart, D.
登録日2011-08-05
公開日2011-09-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The prion protein binds thiamine.
Febs J., 278, 2011
4GRH
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BU of 4grh by Molmil
Crystal structure of pabB of Stenotrophomonas maltophilia
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, MAGNESIUM ION, POLYETHYLENE GLYCOL (N=34), ...
著者Bera, A, Atanasova, V, Ladner, J.E, Parsons, J.F.
登録日2012-08-24
公開日2012-12-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of Aminodeoxychorismate Synthase from Stenotrophomonas maltophilia.
Biochemistry, 51, 2012
6E6E
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BU of 6e6e by Molmil
DGY-06-116, a novel and selective covalent inhibitor of SRC kinase
分子名称: N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
著者Gurbani, D, Bera, A, Westover, K.
登録日2018-07-24
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure and Characterization of a Covalent Inhibitor of Src Kinase.
Front Mol Biosci, 7, 2020
6BUM
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BU of 6bum by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
分子名称: 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Shi, K, Cho, S, Seffernick, J.L, Bera, A, Wackett, L.P, Aihara, H.
登録日2017-12-11
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
2HY3
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BU of 2hy3 by Molmil
Crystal structure of the human tyrosine receptor phosphate gamma in complex with vanadate
分子名称: Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION
著者Jin, X, Min, T, Bera, A, Mu, H, Sauder, J.M, Freeman, J.C, Reyes, C, Smith, D, Wasserman, S.R, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-08-04
公開日2006-09-05
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
7Z6I
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BU of 7z6i by Molmil
Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21
分子名称: 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide
著者Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R.
登録日2022-03-11
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
7Z9T
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BU of 7z9t by Molmil
Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide
著者Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R.
登録日2022-03-21
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
7PVU
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BU of 7pvu by Molmil
Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1
分子名称: Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide
著者Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R.
登録日2021-10-05
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.154 Å)
主引用文献Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
7PCD
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BU of 7pcd by Molmil
HER2 IN COMPLEX WITH A COVALENT INHIBITOR
分子名称: 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one, Receptor tyrosine-protein kinase erbB-2
著者Bader, G.
登録日2021-08-03
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling.
Nat Cancer, 3, 2022
5ZK9
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BU of 5zk9 by Molmil
Stapled-peptides tailored against initiation of translation
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, ACE-ARG-ILE-ILE-TYR-SER-ARG-MK8-GLN-LEU-LEU-MK8-LEU-LYS-NH2, DI(HYDROXYETHYL)ETHER, ...
著者Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Ciesielski, F, Uhring, M.
登録日2018-03-23
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5ZK7
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BU of 5zk7 by Molmil
Stapled-peptides tailored against initiation of translation
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ACE-ARG-TYR-SER-ARG-MK8-GLN-LEU-LEU-MK8-LEU-PHE-ARG-NH2, CHLORIDE ION, ...
著者Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Ciesielski, F, Uhring, M.
登録日2018-03-23
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5ZML
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BU of 5zml by Molmil
Stapled-peptides tailored against initiation of translation
分子名称: 1,2-ETHANEDIOL, ACE-LYS-LYS-ARG-TYR-SER-ARG-MK8-GLN-LEU-LEU-MK8-PHE-ARG-ARG, Eukaryotic translation initiation factor 4E, ...
著者Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Yano, J.
登録日2018-04-04
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5ZJZ
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BU of 5zjz by Molmil
Stapled-peptides tailored against initiation of translation
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E
著者Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Ciesielski, F, Uhring, M.
登録日2018-03-22
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5ZJY
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BU of 5zjy by Molmil
Stapled-peptides tailored against initiation of translation
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, LYS-LYS-ARG-TYR-SER-ARG-2JN-GLN-LEU-LEU-2JN-PHE
著者Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Ciesielski, B, Uhring, M.
登録日2018-03-22
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5ZK5
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BU of 5zk5 by Molmil
Stapled-peptides tailored against initiation of translation
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, LYS-ARG-TYR-SER-ARG-GLU-GLN-LEU-LEU-MK8-PHE-GLN-ARG-MK8
著者Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Ciesielski, F, Uhring, M.
登録日2018-03-23
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
2MD8
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BU of 2md8 by Molmil
NMR structure of Sp140 PHD finger cis conformer
分子名称: Nuclear body protein SP140, ZINC ION
著者Zucchelli, C, Quilici, G, Musco, G.
登録日2013-09-02
公開日2013-11-13
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure of human Sp140 PHD finger: an atypical fold interacting with Pin1.
Febs J., 281, 2014
2MD7
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BU of 2md7 by Molmil
NMR structure of human Sp140 PHD finger trans conformer
分子名称: Nuclear body protein SP140, ZINC ION
著者Zucchelli, C, Quilici, G, Musco, G.
登録日2013-09-02
公開日2013-11-13
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure of human Sp140 PHD finger: an atypical fold interacting with Pin1.
Febs J., 281, 2014
3HAR
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BU of 3har by Molmil
Crystal structure of bacteriorhodopsin mutant I148V crystallized from bicelles
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, RETINAL
著者Joh, N.H, Yang, D, Bowie, J.U.
登録日2009-05-02
公開日2009-09-22
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Similar energetic contributions of packing in the core of membrane and water-soluble proteins.
J.Am.Chem.Soc., 131, 2009
3HAO
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BU of 3hao by Molmil
Crystal structure of bacteriorhodopsin mutant L94A crystallized from bicelles
分子名称: Bacteriorhodopsin, RETINAL
著者Joh, N.H, Yang, D, Bowie, J.U.
登録日2009-05-02
公開日2009-09-22
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Similar energetic contributions of packing in the core of membrane and water-soluble proteins.
J.Am.Chem.Soc., 131, 2009

 

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