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4DOY
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BU of 4doy by Molmil
Crystal structure of Dibenzothiophene desulfurization enzyme C
分子名称: Dibenzothiophene desulfurization enzyme C, GLYCEROL
著者Liu, S, Zhang, C, Zhu, D, Gu, L.
登録日2012-02-12
公開日2013-02-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom
Proteins, 82, 2014
6YKF
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BU of 6ykf by Molmil
VcaM4I restriction endonuclease in the presence of 5mC-modified ssDNA
分子名称: CHLORIDE ION, DNA (5'-D(*CP*AP*(5CM)P*AP*G)-3'), GLYCEROL, ...
著者Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
登録日2020-04-06
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
6YEX
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BU of 6yex by Molmil
VcaM4I restriction endonuclease in the absence of DNA
分子名称: CHLORIDE ION, HNH endonuclease, SULFATE ION
著者Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
登録日2020-03-25
公開日2020-12-16
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
6YMG
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BU of 6ymg by Molmil
VcaM4I restriction endonuclease in complex with 5mC-modified dsDNA
分子名称: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*A)-3'), DNA (5'-D(P*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3'), ...
著者Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
登録日2020-04-08
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
6YJB
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BU of 6yjb by Molmil
VcaM4I restriction endonuclease 5hmC-ssDNA complex
分子名称: CHLORIDE ION, DNA (5'-D(*CP*AP*(5HC)P*AP*G)-3'), GLYCEROL, ...
著者Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
登録日2020-04-02
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
6EG1
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BU of 6eg1 by Molmil
Crystal structure of Dpr2 Ig1-Ig2 in complex with DIP-Theta Ig1-Ig3
分子名称: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cosmanescu, F, Patel, S, Shapiro, L.
登録日2018-08-17
公開日2018-11-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
8FF8
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BU of 8ff8 by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 2-[(4-CYANOPHENYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIMIDINE-4-CARBOXAMIDE
分子名称: 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide, Glycogen synthase kinase-3 beta
著者Muckelbauer, J.K, Lewis, H.A.
登録日2022-12-08
公開日2023-06-07
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Discovery of 2-(Anilino)pyrimidine-4-carboxamides as Highly Potent, Selective, and Orally Active Glycogen Synthase Kinase-3 (GSK-3) Inhibitors.
J.Med.Chem., 66, 2023
3C45
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BU of 3c45 by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor
分子名称: (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Edmondson, S.D, Weber, A.E.
登録日2008-01-29
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3C43
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BU of 3c43 by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor
分子名称: (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Edmondson, S.D, Weber, A.E.
登録日2008-01-29
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
6CTE
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BU of 6cte by Molmil
77Se-NMR probes the protein environment of selenomethionine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Chen, Q, Rozovsky, S.
登録日2018-03-22
公開日2019-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
6CPZ
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BU of 6cpz by Molmil
Selenomethionine mutant (I6Sem) of protein GB1 examined by X-ray diffraction
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin G-binding protein G, ...
著者Chen, Q, Rozovsky, S.
登録日2018-03-14
公開日2019-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
6CHE
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BU of 6che by Molmil
Selenomethionine mutant (A34Sem) of protein GB1 examined by X-ray diffraction
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, IMIDAZOLE, Immunoglobulin G-binding protein G
著者Chen, Q.
登録日2018-02-22
公開日2019-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
6CNE
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BU of 6cne by Molmil
Selenomethionine variant (V29SeM) of protein GB1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin G-binding protein G, PHOSPHATE ION
著者Chen, Q.
登録日2018-03-08
公開日2019-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
6EG0
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BU of 6eg0 by Molmil
Crystal structure of Dpr4 Ig1-Ig2 in complex with DIP-Eta Ig1-Ig3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cosmanescu, F, Shapiro, L.
登録日2018-08-17
公開日2018-11-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
6EFY
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BU of 6efy by Molmil
Crystal Structure of DIP-Alpha Ig1-3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Dpr-interacting protein alpha, isoform A, ...
著者Cosmanescu, F, Shapiro, L.
登録日2018-08-17
公開日2018-11-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
6EFZ
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BU of 6efz by Molmil
Crystal Structure of DIP-Theta Ig1-3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Cosmanescu, F, Shapiro, L.
登録日2018-08-17
公開日2018-11-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.499 Å)
主引用文献Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
3BM3
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BU of 3bm3 by Molmil
Restriction endonuclease PspGI-substrate DNA complex
分子名称: CITRIC ACID, DNA (5'-D(*CP*AP*TP*CP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*GP*GP*AP*T)-3'), ...
著者Szczepanowski, R.H, Carpenter, M, Czapinska, H, Tamulaitis, G, Siksnys, V, Bhagwat, A, Bochtler, M.
登録日2007-12-12
公開日2008-09-16
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A direct crystallographic demonstration that Type II restriction endonuclease PspGI flips nucleotides
To be Published
7R7X
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BU of 7r7x by Molmil
Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, ...
著者Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H.
登録日2021-06-25
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
7R7V
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Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9
分子名称: Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ...
著者Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H.
登録日2021-06-25
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
7R7W
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Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 S3T variant
分子名称: Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, MHC class I antigen
著者Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H.
登録日2021-06-25
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
7R80
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Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301
分子名称: Alpha chain of C3 TCR, Beta Chain of C3 TCR, Beta-2-microglobulin, ...
著者Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H.
登録日2021-06-25
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
7R7Y
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BU of 7r7y by Molmil
Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 S3T variant
分子名称: Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ...
著者Li, X.L, Ng, R, Tan, K.M, Walker, B.D, Wang, J.H.
登録日2021-06-25
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
5T03
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Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and glucuronic acid containing hexasaccharide substrate
分子名称: 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ...
著者Pedersen, L.C, Moon, A.F, Krahn, J.M, Liu, J.
登録日2016-08-15
公開日2017-02-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases.
ACS Chem. Biol., 12, 2017
5T0A
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Crystal Structure of Heparan Sulfate 6-O-Sulfotransferase with bound PAP and heptasaccharide substrate
分子名称: 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ...
著者Pedersen, L.C, Moon, A.F, Krahn, J.M, Liu, J.
登録日2016-08-15
公開日2017-02-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases.
ACS Chem. Biol., 12, 2017
5T05
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Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and IdoA2S containing hexasaccharide substrate
分子名称: 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ...
著者Pedersen, L.C, Moon, A.F, krahn, J.M, Liu, J.
登録日2016-08-15
公開日2017-02-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases.
ACS Chem. Biol., 12, 2017

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