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3S5X
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BU of 3s5x by Molmil
Structure of the cyanobacterial Oscillatoria Agardhii Agglutinin (OAA) in complex with a3,a6 mannopentaose
分子名称: Lectin, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose
著者Koharudin, L.M.I, Gronenborn, A.M.
登録日2011-05-23
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of the anti-HIV activity of the cyanobacterial Oscillatoria Agardhii agglutinin.
Structure, 19, 2011
3MDF
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BU of 3mdf by Molmil
Crystal structure of the RRM domain of Cyclophilin 33
分子名称: Peptidyl-prolyl cis-trans isomerase E
著者Hom, R.A, Chang, P.Y, Roy, S, Mussleman, C.A, Glass, K.C, Seleznevia, A.I, Gozani, O, Ismagilov, R.F, Cleary, M.L, Kutateladze, T.G.
登録日2010-03-30
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular mechanism of MLL PHD3 and RNA recognition by the Cyp33 RRM domain.
J.Mol.Biol., 400, 2010
4HN4
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BU of 4hn4 by Molmil
Tryptophan synthase in complex with alpha aminoacrylate E(A-A) form and the F9 inhibitor in the alpha site
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BICINE, ...
著者Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2012-10-18
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
3NJQ
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BU of 3njq by Molmil
Crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with dimer disruptor
分子名称: 3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid, ACETATE ION, GLYCEROL, ...
著者Baharuddin, A.
登録日2010-06-17
公開日2011-08-17
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enzyme inhibition by allosteric capture of an inactive conformation.
J.Mol.Biol., 411, 2011
3NP8
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BU of 3np8 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L36A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A.
登録日2010-06-28
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
4HT3
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BU of 4ht3 by Molmil
The crystal structure of Salmonella typhimurium Tryptophan Synthase at 1.30A complexed with N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE (F9) inhibitor in the alpha site, internal aldimine
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2012-10-31
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
3NQT
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BU of 3nqt by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A.
登録日2010-06-29
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
4HPX
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BU of 4hpx by Molmil
Crystal structure of Tryptophan Synthase at 1.65 A resolution in complex with alpha aminoacrylate E(A-A) and benzimidazole in the beta site and the F9 inhibitor in the alpha site
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ...
著者Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2012-10-24
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
6UVJ
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BU of 6uvj by Molmil
Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Johnson, J.A, Pomerantz, W.C.K.
登録日2019-11-02
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
4I1K
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BU of 4i1k by Molmil
Crystal Structure of VRN1 (Residues 208-341)
分子名称: B3 domain-containing transcription factor VRN1, CHLORIDE ION
著者King, G, Chanson, A.H, McCallum, E.J, Ohme-Takagi, M, Byriel, K, Hill, J.M, Martin, J.L, Mylne, J.S.
登録日2012-11-21
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Arabidopsis B3 Domain Protein VERNALIZATION1 (VRN1) Is Involved in Processes Essential for Development, with Structural and Mutational Studies Revealing Its DNA-binding Surface.
J.Biol.Chem., 288, 2013
4HVW
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BU of 4hvw by Molmil
Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide VSL12
分子名称: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
著者Camara-Artigas, A.
登録日2012-11-07
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
6UWX
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BU of 6uwx by Molmil
Cocrystal of BRD4(D1) with a ethyl carbamate thiazepane inhibitor
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
著者Johnson, J.A, Pomerantz, W.C.K.
登録日2019-11-05
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
4HVV
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BU of 4hvv by Molmil
Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide APP12
分子名称: Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, SYNTHETIC PEPTIDE Acetyl-APPLPPRNRP
著者Camara-Artigas, A.
登録日2012-11-07
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
4HVU
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BU of 4hvu by Molmil
Crystal structure of the T98D c-Src-SH3 domain mutant in complex with the high affinity peptide APP12
分子名称: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
著者Camara-Artigas, A.
登録日2012-11-07
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
4CWR
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BU of 4cwr by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
3NXW
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BU of 3nxw by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L125A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A.
登録日2010-07-14
公開日2011-07-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
6UVM
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BU of 6uvm by Molmil
Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor
分子名称: 1,2-ETHANEDIOL, 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one, Bromodomain-containing protein 4
著者Johnson, J.A, Pomerantz, W.C.K.
登録日2019-11-03
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
8RHR
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BU of 8rhr by Molmil
E.coli Peptide Deformylase with bound inhibitor BB4
分子名称: 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Kirschner, H, Stoll, R, Hofmann, E.
登録日2023-12-16
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Toward More Selective Antibiotic Inhibitors: A Structural View of the Complexed Binding Pocket of E. coli Peptide Deformylase.
J.Med.Chem., 67, 2024
4IJ4
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BU of 4ij4 by Molmil
Crystal Structure of a Family GH19 chitinase from Bryum coronatum in complex with (GlcNAc)4
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A
著者Numata, T, Umemoto, N, Ohnuma, T, Fukamizo, T.
登録日2012-12-21
公開日2014-03-26
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of a "loopless" GH19 chitinase in complex with chitin tetrasaccharide spanning the catalytic center.
Biochim.Biophys.Acta, 1844, 2014
3ONS
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BU of 3ons by Molmil
Crystal structure of Human Ubiquitin in a new crystal form
分子名称: Ubiquitin
著者Amodeo, G.A, Huang, K.Y, Mcdermott, A.E, Tong, L.
登録日2010-08-30
公開日2011-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of human ubiquitin in 2-methyl-2,4-pentanediol: a new conformational switch.
Protein Sci., 20, 2011
3OWU
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BU of 3owu by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida with Bound Equilenin
分子名称: EQUILENIN, Steroid Delta-isomerase
著者Sigala, P.A, Fenn, T.D, Herschlag, D.
登録日2010-09-20
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3OX9
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BU of 3ox9 by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida
分子名称: Steroid Delta-isomerase
著者Sigala, P.A, Fenn, T.D, Herschlag, D.
登録日2010-09-21
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DW3
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BU of 4dw3 by Molmil
Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 5'-CMP
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, CYTIDINE-5'-MONOPHOSPHATE, ...
著者Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A.
登録日2012-02-24
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
4DWA
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BU of 4dwa by Molmil
Crystal structure of an active-site mutant of the glycoprotein Erns from the pestivirus BVDV-1 in complex with a CpUpC trinucleotide
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, E(rns) glycoprotein, ...
著者Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A.
登録日2012-02-24
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
3OWY
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BU of 3owy by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M105C-CN from P. putida with Bound Equilenin
分子名称: EQUILENIN, Steroid Delta-isomerase
著者Sigala, P.A, Fenn, T.D, Herschlag, D.
登録日2010-09-20
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012

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