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8HAW
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BU of 8haw by Molmil
An auto-activation mechanism of plant non-specific phospholipase C
分子名称: CALCIUM ION, GLYCEROL, Non-specific phospholipase C4, ...
著者Zhao, F, Fan, R.Y, Guan, Z.Y, Guo, L, Yin, P.
登録日2022-10-26
公開日2023-01-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into the mechanism of phospholipid hydrolysis by plant non-specific phospholipase C.
Nat Commun, 14, 2023
8HMU
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BU of 8hmu by Molmil
Crystal Structure of PKM2 mutant R516C
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ...
著者Upadhyay, S, Kumar, A, Patel, A.K.
登録日2022-12-05
公開日2023-01-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2
To Be Published
5YZC
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BU of 5yzc by Molmil
Crystal structure of the prefusion form of measles virus fusion protein in complex with a fusion inhibitor compound (AS-48)
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, 4-nitro-2-[(phenylacetyl)amino]benzamide, ...
著者Hashiguchi, T, Fukuda, Y, Matsuoka, R, Kuroda, D, Kubota, M, Shirogane, Y, Watanabe, S, Tsumoto, K, Kohda, D, Plemper, R.K, Yanagi, Y.
登録日2017-12-14
公開日2018-02-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献Structures of the prefusion form of measles virus fusion protein in complex with inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8HDU
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BU of 8hdu by Molmil
De novo design cavitated protein without predefined topology
分子名称: De novo design cavitated protein
著者Hu, X, Xu, Y.
登録日2022-11-06
公開日2023-01-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8HDV
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BU of 8hdv by Molmil
De novo design cavitated protein without predefined topology
分子名称: De novo design cavitated protein
著者Hu, X, Xu, Y.
登録日2022-11-06
公開日2023-01-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
5YZM
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BU of 5yzm by Molmil
Crystal structure of S9 peptidase (inactive form) from Deinococcus radiodurans R1
分子名称: ACETATE ION, Acyl-peptide hydrolase, putative
著者Yadav, P, Jamdar, S.N, Kumar, A, Ghosh, B, Makde, R.D.
登録日2017-12-15
公開日2018-11-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms.
J.Biol.Chem., 294, 2019
6DCG
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BU of 6dcg by Molmil
Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
分子名称: (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A.
登録日2018-05-06
公開日2018-08-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
5ZC4
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BU of 5zc4 by Molmil
Crystal Structure of RNF13 RING domain
分子名称: E3 ubiquitin-protein ligase RNF13, ZINC ION
著者Datta, A.B, Sarkar, S.
登録日2018-02-14
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Crystal Structure of RNF13 RING domain
To Be Published
8H99
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BU of 8h99 by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant
分子名称: ADENOSINE-5'-TRIPHOSPHATE, IMIDAZOLE, MAGNESIUM ION, ...
著者Qiao, H, Xia, M, Wang, J, Fang, P.
登録日2022-10-25
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
5Z37
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BU of 5z37 by Molmil
Crystal Structure of Abrin A chain (Recombinant) at 1.3 Angstroms
分子名称: Abrin A-chain, IMIDAZOLE
著者Bansia, H, Karande, A.A, Ramakumar, S.
登録日2018-01-05
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis for neutralization of cytotoxic abrin by monoclonal antibody D6F10.
FEBS J., 286, 2019
8H9C
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BU of 8h9c by Molmil
Crystal structure of chemically modified E. coli ThrS catalytic domain 4
分子名称: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Xia, M, Wang, J, Fang, P.
登録日2022-10-25
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
5ZD4
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BU of 5zd4 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 in complex with double-stranded DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*CP*AP*CP*GP*TP*GP*TP*GP*AP*AP*A)-3'), Maltose-binding periplasmic protein,Protein BRASSINAZOLE-RESISTANT 1, ...
著者Nosaki, S, Miyakawa, T, Xu, Y, Nakamura, A, Hirabayashi, K, Tanokura, M.
登録日2018-02-22
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural basis for brassinosteroid response by BIL1/BZR1.
Nat Plants, 4, 2018
5ZIS
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BU of 5zis by Molmil
Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX
著者Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y.
登録日2018-03-17
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A.
Chem. Commun. (Camb.), 54, 2018
8H98
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BU of 8h98 by Molmil
Crystal structure of chemically modified E. coli ThrS catalytic domain 1
分子名称: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Xia, M, Wang, J, Fang, P.
登録日2022-10-25
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
5ZM3
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BU of 5zm3 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid B
分子名称: (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ...
著者Nakashima, Y, Senda, T.
登録日2018-04-01
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
8HAV
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BU of 8hav by Molmil
An auto-activation mechanism of plant non-specific phospholipase C
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-specific phospholipase C4
著者Zhao, F, Fan, R.Y, Guan, Z.Y, Guo, L, Yin, P.
登録日2022-10-26
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into the mechanism of phospholipid hydrolysis by plant non-specific phospholipase C.
Nat Commun, 14, 2023
5ZNH
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BU of 5znh by Molmil
Catechol 2,3-dioxygenase with 4-methyl catechol from Diaphorobacter sp DS2
分子名称: 1,2-ETHANEDIOL, 4-METHYLCATECHOL, CALCIUM ION, ...
著者Mishra, K, Arya, C.K, Subramaniyan, R, Ramanathan, G.
登録日2018-04-09
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献catechol 2,3-dioxygenase with 4-methyl catechol from Diaphorobacter sp DS2
To Be Published
8H9B
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BU of 8h9b by Molmil
Crystal structure of chemically modified E. coli ThrS catalytic domain 3
分子名称: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Xia, M, Wang, J, Fang, P.
登録日2022-10-25
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
5ZJB
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BU of 5zjb by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae
分子名称: DI(HYDROXYETHYL)ETHER, MALONATE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
著者Manjunath, L, Guntupalli, S.
登録日2018-03-19
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
5ZJQ
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BU of 5zjq by Molmil
Structure of AbdB/Exd complex bound to a 'Red14' DNA sequence
分子名称: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*TP*TP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*AP*AP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ...
著者Baburajendran, N, Zeiske, T, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
登録日2018-03-22
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.443 Å)
主引用文献Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
5ZKN
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BU of 5zkn by Molmil
Structure of N-acetylmannosamine-6-phosphate 2-epimerase from Fusobacterium nucleatum
分子名称: CHLORIDE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
著者Manjunath, L.
登録日2018-03-24
公開日2018-09-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
8H9A
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BU of 8h9a by Molmil
Crystal structure of chemically modified E. coli ThrS catalytic domain 2
分子名称: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Xia, M, Wang, J, Fang, P.
登録日2022-10-25
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
8GYH
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BU of 8gyh by Molmil
Crystal structure of Fic25 (apo form) from Streptomyces ficellus
分子名称: DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, IMIDAZOLE
著者Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M.
登録日2022-09-22
公開日2023-02-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis.
Acs Chem.Biol., 18, 2023
5Z8Z
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BU of 5z8z by Molmil
BRD4 Bromodomain 1 with an inhibitor
分子名称: 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
著者Xiao, S, Chen, S, Chen, H.
登録日2018-02-01
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献BRD4 Bromodomain 1 with an inhibitor
To Be Published
5ZLV
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BU of 5zlv by Molmil
DNA polymerase IV - DNA ternary complex with 50mM MgCl2
分子名称: DIPHOSPHATE, DNA polymerase IV, DTN1, ...
著者Kottur, J, Nair, D.T.
登録日2018-03-29
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Pyrophosphate hydrolysis is an intrinsic and critical step of the DNA synthesis reaction
Nucleic Acids Res., 46, 2018

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件を2024-10-16に公開中

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