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6AFR
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BU of 6afr by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol
分子名称: 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4
著者Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R.
登録日2018-08-08
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
2X2H
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BU of 2x2h by Molmil
Crystal structure of the Gracilariopsis lemaneiformis alpha-1,4- glucan lyase
分子名称: ACETATE ION, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, CHLORIDE ION, ...
著者Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
登録日2010-01-13
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
6LB7
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BU of 6lb7 by Molmil
Crystal structure of the Ca2+-free and Ca2+-bound MICU1-MICU2 complex
分子名称: CALCIUM ION, Calcium uptake protein 1, mitochondrial, ...
著者Wu, W, Shen, Q, Zheng, J, Jia, Z.
登録日2019-11-13
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter.
Embo J., 39, 2020
7DMG
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BU of 7dmg by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADP
分子名称: (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-12-03
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLM
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BU of 7dlm by Molmil
Short chain dehydrogenase (SCR) crystal structure with NADPH
分子名称: Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-28
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLD
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BU of 7dld by Molmil
Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states
分子名称: Carbonyl Reductase, MAGNESIUM ION
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-27
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DN1
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BU of 7dn1 by Molmil
Hetero-oligomers of SCR-SCR2 crystal structure with NADPH
分子名称: (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-12-08
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLL
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BU of 7dll by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH
分子名称: (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-28
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
3OCG
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BU of 3ocg by Molmil
P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor
分子名称: 5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-08-10
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献5-Amino-pyrazoles as potent and selective p38α inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
7YGG
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BU of 7ygg by Molmil
Crystal structure of human CD47 in complex with engineered SIRPa.D1(N80A)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Leukocyte surface antigen CD47, ...
著者Yu, J, Tian, W.
登録日2022-07-11
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Crystal Structure of Human CD47 in Complex with Engineered SIRP alpha.D1(N80A).
Molecules, 27, 2022
1F14
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BU of 1f14 by Molmil
L-3-HYDROXYACYL-COA DEHYDROGENASE (APO)
分子名称: L-3-HYDROXYACYL-COA DEHYDROGENASE
著者Barycki, J.J, O'Brien, L.K, Strauss, A.W, Banaszak, L.J.
登録日2000-05-18
公開日2000-09-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sequestration of the active site by interdomain shifting. Crystallographic and spectroscopic evidence for distinct conformations of L-3-hydroxyacyl-CoA dehydrogenase.
J.Biol.Chem., 275, 2000
3KA0
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BU of 3ka0 by Molmil
MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
分子名称: 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide, MAP kinase-activated protein kinase 2
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2009-10-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
3HY3
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BU of 3hy3 by Molmil
Structure of human MTHFS with 10-formyltetrahydrofolate
分子名称: 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid, ...
著者Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J.
登録日2009-06-22
公開日2009-07-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
2G9T
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BU of 2g9t by Molmil
Crystal structure of the SARS coronavirus nsp10 at 2.1A
分子名称: ZINC ION, orf1a polyprotein
著者Su, D, Lou, Z, Yang, H, Sun, F, Rao, Z.
登録日2006-03-07
公開日2006-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dodecamer Structure of Severe Acute Respiratory Syndrome Coronavirus Nonstructural Protein nsp10
J.Virol., 80, 2006
2GA6
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BU of 2ga6 by Molmil
The crystal structure of SARS nsp10 without zinc ion as additive
分子名称: ZINC ION, orf1a polyprotein
著者Su, D, Lou, Z, Sun, F, Zhai, Y, Yang, H, Rao, Z.
登録日2006-03-08
公開日2006-08-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dodecamer Structure of Severe Acute Respiratory Syndrome Coronavirus Nonstructural Protein nsp10
J.Virol., 80, 2006
1V6J
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BU of 1v6j by Molmil
peanut lectin-lactose complex crystallized in orthorhombic form at acidic pH
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-01
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
2GTH
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BU of 2gth by Molmil
crystal structure of the wildtype MHV coronavirus non-structural protein nsp15
分子名称: Replicase polyprotein 1ab
著者Xu, X, Zhai, Y, Sun, F, Lou, Z, Su, D, Rao, Z.
登録日2006-04-28
公開日2006-08-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献New Antiviral Target Revealed by the Hexameric Structure of Mouse Hepatitis Virus Nonstructural Protein nsp15
J.Virol., 80, 2006
5HNH
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BU of 5hnh by Molmil
Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BpuJ1 endonuclease binding domain
分子名称: DNA (5'-D(*GP*(YPY)P*AP*CP*CP*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*AP*CP*GP*GP*GP*T*(YPY)*(YPY)*C)-3'), Restriction endonuclease R.BpuJI
著者Probst, M, Aeschimann, W, Chau, T.-T.-H, Langenegger, S.M, Stocker, A, Haener, R.
登録日2016-01-18
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.876 Å)
主引用文献Structural insight into DNA-assembled oligochromophores: crystallographic analysis of pyrene- and phenanthrene-modified DNA in complex with BpuJI endonuclease.
Nucleic Acids Res., 44, 2016
5HLT
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BU of 5hlt by Molmil
Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BpuJ1 endonuclease binding domain
分子名称: DNA (5'-D(*GP*YPY*TP*AP*CP*CP*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*AP*CP*GP*GP*GP*TP*AP*YPY*C)-3'), Restriction endonuclease R.BpuJI
著者Probst, M, Aeschimann, W, Chau, T.-T.-H, Langenegger, S.M, Stocker, A, Haener, R.
登録日2016-01-15
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.672 Å)
主引用文献Structural insight into DNA-assembled oligochromophores: crystallographic analysis of pyrene- and phenanthrene-modified DNA in complex with BpuJI endonuclease.
Nucleic Acids Res., 44, 2016
1V6K
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BU of 1v6k by Molmil
Peanut lectin-lactose complex in the presence of peptide(IWSSAGNVA)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-01
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
1V6L
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BU of 1v6l by Molmil
Peanut lectin-lactose complex in the presence of 9mer peptide (PVIWSSATG)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-01
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
2GTI
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BU of 2gti by Molmil
mutation of MHV coronavirus non-structural protein nsp15 (F307L)
分子名称: GLYCEROL, Replicase polyprotein 1ab, SULFATE ION
著者Xu, X, Zhai, Y, Sun, F, Lou, Z, Su, D, Rao, Z.
登録日2006-04-28
公開日2006-08-15
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献New Antiviral Target Revealed by the Hexameric Structure of Mouse Hepatitis Virus Nonstructural Protein nsp15
J.Virol., 80, 2006
6FEK
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BU of 6fek by Molmil
Oncogenic point mutation of RET receptor tyrosine kinase
分子名称: ADENOSINE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
著者McDonald, N.Q, Kohno, T.
登録日2018-01-02
公開日2018-02-28
最終更新日2018-05-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A secondary RET mutation in the activation loop conferring resistance to vandetanib.
Nat Commun, 9, 2018
7DM2
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BU of 7dm2 by Molmil
crystal structure of the M. tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-170
分子名称: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
著者Ma, B, Freund, N, Xiang, Y.
登録日2020-12-01
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
7DM1
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BU of 7dm1 by Molmil
crystal structure of the M.tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-36
分子名称: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
著者Ma, B, Freund, N, Xiang, Y.
登録日2020-12-01
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021

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