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6CLX
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BU of 6clx by Molmil
Crystal structure of TnmH in complex with SAM
分子名称: O-methyltransferase, S-ADENOSYLMETHIONINE
著者Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B.
登録日2018-03-02
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
5ERX
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BU of 5erx by Molmil
Crystal Structure of APO MenD from M. tuberculosis - I222
分子名称: 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase
著者Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N.
登録日2015-11-16
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms.
Structure, 24, 2016
6CTM
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BU of 6ctm by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL(R-isomer), beta, gamma dTTP analogue
分子名称: 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-23
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
4ZU6
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BU of 4zu6 by Molmil
Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with pre-reactive o-acetyl serine, alpha-aminoacrylate reaction intermediate and Peptide inhibitor at the resolution of 2.25A
分子名称: C-terminal peptide from Serine acetyltransferase, Cysteine synthase, O-ACETYLSERINE, ...
著者Ekka, M.K, Singh, A.K, Kaushik, A, Kumaran, S.
登録日2015-05-15
公開日2015-06-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus inuen-zae in complex with pre-reactive o-acetyl serine and peptide inhibitor
To Be Published
4ZU1
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BU of 4zu1 by Molmil
Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with O-acetyl serine and peptide inhibitor
分子名称: C-terminal peptide from Serine acetyltransferase, Cysteine synthase, GLYCEROL, ...
著者Ekka, M.K, Singh, A.K, Kaushik, A, Kumaran, S.
登録日2015-05-15
公開日2015-06-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus inuen-zae in complex with O-acetyl serine and peptide inhibitor
To Be Published
6CG3
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BU of 6cg3 by Molmil
Macrocyclic peptide derived from Abeta(17-36) - (ORN)LV(PHI)FAED(ORN)AII(2-nitrobenzylglycine)L(ORN)V
分子名称: ORN-LEU-VAL-PHI-PHE-ALA-GLU-ASP-ORN-ALA-ILE-ILE-EZY-LEU-ORN-VAL
著者Salveson, P.J, Nowick, J.S.
登録日2018-02-19
公開日2018-05-16
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Controlling the Oligomerization State of A beta-Derived Peptides with Light.
J. Am. Chem. Soc., 140, 2018
6CG5
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BU of 6cg5 by Molmil
Covalently crosslinked trimer of a macrocyclic peptide derived from Abeta (17-36) - (ORN)LCVFFCED(ORN)AII(2-nitrobenzylglycine)L(ORN)V
分子名称: ORN-CYS-VAL-PHE-PHE-CYS-GLU-ASP-ORN-ALA-ILE-ILE-EZY-LEU-ORN-VAL
著者Salveson, P.J, Nowick, J.S.
登録日2018-02-19
公開日2018-05-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Controlling the Oligomerization State of A beta-Derived Peptides with Light.
J. Am. Chem. Soc., 140, 2018
5ESQ
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BU of 5esq by Molmil
Cetuximab Fab in complex with cyclic beta-alanine-linked meditope
分子名称: Cetuximab Fab heavy chain, Cetuximab Fab light chain, Cyclic beta-alanine-linked meditope, ...
著者Bzymek, K.P, Williams, J.C.
登録日2015-11-16
公開日2016-06-15
最終更新日2017-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5EUK
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BU of 5euk by Molmil
Cetuximab Fab in complex with F3H meditope variant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2015-11-18
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5GO7
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BU of 5go7 by Molmil
Linear tri-ubiquitin
分子名称: D-ubiquitin, Ubiquitin
著者Gao, S, Pan, M, Zheng, Y.
登録日2016-07-26
公開日2016-11-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOC
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BU of 5goc by Molmil
Lys11-linked diubiquitin
分子名称: D-ubiquitin, SODIUM ION, Ubiquitin
著者Gao, S, Pan, M, Zheng, Y.
登録日2016-07-26
公開日2016-11-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.733 Å)
主引用文献Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
6CR3
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BU of 6cr3 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CBr2, beta, gamma dATP analogue
分子名称: 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
5GQE
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BU of 5gqe by Molmil
Crystal structure of michaelis complex of xylanase mutant (T82A, N127S, and E128H) from Streptomyces olivaceoviridis E-86
分子名称: Beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ...
著者Suzuki, R, Fujimoto, Z, Kaneko, S, Kuno, A.
登録日2016-08-07
公開日2017-08-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Azidolysis by the Formation of Stable Ser-His Catalytic Dyad in a Glycoside Hydrolase Family 10 Xylanase Mutant
J.Appl.Glyosci., 65, 2019
6CPM
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BU of 6cpm by Molmil
Structure of the USP15 deubiquitinase domain in complex with a third-generation inhibitory Ubv
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
登録日2018-03-13
公開日2019-01-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
5GHV
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BU of 5ghv by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2016-06-20
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
5CTI
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BU of 5cti by Molmil
Crystal structure of the type IX collagen NC2 hetero-trimerization domain with a guest fragment a2a1a1 of type I collagen (native form)
分子名称: Collagen alpha-1(I) chain,Collagen alpha-1(IX) chain, Collagen alpha-1(I) chain,Collagen alpha-3(IX) chain, Collagen alpha-2(I) chain,Collagen alpha-2(IX) chain, ...
著者Boudko, S.P, Bachinger, H.P.
登録日2015-07-24
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8994 Å)
主引用文献Structural insight for chain selection and stagger control in collagen.
Sci Rep, 6, 2016
6CVY
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BU of 6cvy by Molmil
Crystal structure of HCV NS3/4A WT protease in complex with AJ-21 (MK-5172 linear analogue)
分子名称: 3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide, GLYCEROL, NS3 protease, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-03-29
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
6CYL
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BU of 6cyl by Molmil
Crystal Structure of Superoxide Dismutase double mutant (G74Q+Q149G) from Trichoderma reesei
分子名称: MANGANESE (II) ION, Superoxide dismutase
著者Mendoza Rengifo, E, Garratt, R.C, Pereira, H.M, Ferreira Jr, J.R.S.
登録日2018-04-06
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Mn Superoxide Dismutase double mutant (G74Q+Q149G) from Trichoderma reesei
To Be Published
5GNW
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BU of 5gnw by Molmil
Crystal structure of Uracil DNA glycosylase-Uracil complex from Bradyrhizobium diazoefficiens.
分子名称: Blr0248 protein, URACIL
著者Patil, V.V, Chembazhi, U.V, Varshney, U, Woo, E.
登録日2016-07-25
公開日2017-06-14
実験手法X-RAY DIFFRACTION (2.869 Å)
主引用文献Uracil DNA glycosylase (UDG) activities in Bradyrhizobium diazoefficiens: characterization of a new class of UDG with broad substrate specificity
Nucleic Acids Res., 45, 2017
6CTQ
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BU of 6ctq by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-23
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
6CJJ
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BU of 6cjj by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90 homolog, ...
著者Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC)
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
5D1L
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BU of 5d1l by Molmil
Crystal Structure of UbcH5B in Complex with the RING-U5BR Fragment of AO7 (Y165A)
分子名称: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase RNF25, OXALATE ION, ...
著者Liang, Y.-H, Li, S, Weissman, A.M, Ji, X.
登録日2015-08-04
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.618 Å)
主引用文献Insights into Ubiquitination from the Unique Clamp-like Binding of the RING E3 AO7 to the E2 UbcH5B.
J.Biol.Chem., 290, 2015
5D1O
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BU of 5d1o by Molmil
Archaeal ATP-dependent RNA ligase - form 1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA ligase, MAGNESIUM ION, ...
著者Murakami, K.S.
登録日2015-08-04
公開日2016-03-09
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Structural and mutational analysis of archaeal ATP-dependent RNA ligase identifies amino acids required for RNA binding and catalysis.
Nucleic Acids Res., 44, 2016
5D41
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BU of 5d41 by Molmil
EGFR kinase domain in complex with mutant selective allosteric inhibitor
分子名称: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yun, C.-H, Park, E, Eck, M.J.
登録日2015-08-07
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors.
Nature, 534, 2016
2GUU
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BU of 2guu by Molmil
crystal structure of Plasmodium vivax orotidine 5-monophosphate decarboxylase with 6-aza-UMP bound
分子名称: 6-AZA URIDINE 5'-MONOPHOSPHATE, ODcase
著者Dong, A, Lew, J, Zhao, Y, Sundararajan, E, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Pai, E.F, Kotra, L, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2006-05-01
公開日2006-05-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of Plasmodium vivax orotidine 5-monophosphate decarboxylase with 6-aza-UMP bound
To be Published

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件を2024-08-21に公開中

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