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4PLB
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BU of 4plb by Molmil
Crystal Structure of S.A. gyrase-AM8191 complex
分子名称: 6-[({(1r,4S)-1-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Chimera protein of DNA gyrase subunits B and A, DNA (5'-D(P*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
著者Lu, J, Patel, S, Soisson, S.
登録日2014-05-16
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad spectrum antibacterial agents.
Acs Med.Chem.Lett., 5, 2014
5BS3
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BU of 5bs3 by Molmil
Crystal Structure of S.A. gyrase in complex with Compound 7
分子名称: (4R)-3-fluoro-4-hydroxy-4-{[(1r,4R)-4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one, DNA gyrase subunit A and B, DNA/RNA (5'-R(P*AP*GP*CP*CP*G)-D(P*T)-R(P*AP*GP*GP*GP*CP*CP*C)-D(P*T)-R(P*AP*CP*GP*GP*C)-D(P*T)-3'), ...
著者Lu, J, Patel, S, Soisson, S.
登録日2015-06-01
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of left-hand-side moiety (Part-2).
Bioorg.Med.Chem.Lett., 25, 2015
6J1O
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BU of 6j1o by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI from Aspergillus flavus
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-28
公開日2019-05-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J46
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BU of 6j46 by Molmil
LepI-SAH complex structure
分子名称: O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE
著者Qiu, S, Wei, C.
登録日2019-01-08
公開日2019-05-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J24
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BU of 6j24 by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate
分子名称: (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-30
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
3T8M
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BU of 3t8m by Molmil
Rational Design of PI3K-alpha Inhibitors that Exhibit Selectivity Over the PI3K-beta Isoform
分子名称: N~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-N~2~,N~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Wiesmann, C.
登録日2011-08-01
公開日2011-11-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational Design of PI3K-alpha Inhibitors that Exhibit Selectivity Over the PI3K-beta Isoform
To be Published
8IF8
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BU of 8if8 by Molmil
Arabinosyltransferase AftA
分子名称: CALCIUM ION, Galactan 5-O-arabinofuranosyltransferase
著者Gong, Y.C, Rao, Z.H, Zhang, L.
登録日2023-02-17
公開日2023-05-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the priming arabinosyltransferase AftA required for AG biosynthesis of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 120, 2023
7DZ2
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BU of 7dz2 by Molmil
Crystal structures of D-allulose 3-epimerase from Sinorhizobium fredii
分子名称: D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-01-23
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
7DZ3
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BU of 7dz3 by Molmil
Crystal structures of D-allulose 3-epimerase with D-fructose from Sinorhizobium fredii
分子名称: D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-01-23
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
7DZ4
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BU of 7dz4 by Molmil
Crystal structures of D-allulose 3-epimerase with D-tagatose from Sinorhizobium fredii
分子名称: D-tagatose, D-tagatose 3-epimerase, MAGNESIUM ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-01-23
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
7DZ6
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BU of 7dz6 by Molmil
Crystal structures of D-allulose 3-epimerase with D-allulose from Sinorhizobium fredii
分子名称: D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-01-23
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
7DZ5
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BU of 7dz5 by Molmil
Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii
分子名称: D-sorbose, D-tagatose 3-epimerase, MAGNESIUM ION, ...
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-01-23
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
5IKN
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BU of 5ikn by Molmil
Crystal Structure of the T7 Replisome in the Absence of DNA
分子名称: DNA primase/helicase, DNA-directed DNA polymerase, Thioredoxin-1
著者Wallen, J.R, Ellenberger, T.
登録日2016-03-03
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.802 Å)
主引用文献Hybrid Methods Reveal Multiple Flexibly Linked DNA Polymerases within the Bacteriophage T7 Replisome.
Structure, 25, 2017
4UEB
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BU of 4ueb by Molmil
Complex of D. melanogaster eIF4E with a designed 4E-binding protein (Form II)
分子名称: DESIGNED 4E-BP, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E
著者Peter, D, Weichenrieder, O.
登録日2014-12-16
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E.
Mol.Cell, 57, 2015
4UE9
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BU of 4ue9 by Molmil
Complex of D. melanogaster eIF4E with the 4E-binding protein 4E-T
分子名称: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TRANSPORTER
著者Peter, D, Weichenrieder, O.
登録日2014-12-16
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E.
Mol.Cell, 57, 2015
4UEA
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BU of 4uea by Molmil
Complex of D. melanogaster eIF4E with a designed 4E-binding protein (Form I)
分子名称: DESIGNED 4E-BP, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E
著者Peter, D, Weichenrieder, O.
登録日2014-12-16
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E.
Mol.Cell, 57, 2015
4UEC
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BU of 4uec by Molmil
Complex of D. melanogaster eIF4E with eIF4G and cap analog
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4G, ...
著者Peter, D, Weichenrieder, O.
登録日2014-12-16
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E.
Mol.Cell, 57, 2015
4UED
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BU of 4ued by Molmil
Complex of human eIF4E with the 4E binding protein 4E-BP1
分子名称: EUKARYOTIC TRANSLATION FACTOR 4E-BINDING PROTEIN 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E
著者Peter, D, Weichenrieder, O.
登録日2014-12-16
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E.
Mol.Cell, 57, 2015
4UE8
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BU of 4ue8 by Molmil
Complex of D. melanogaster eIF4E with the 4E binding protein Thor
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 4E-BINDING PROTEIN THOR, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, ...
著者Peter, D, Weichenrieder, O.
登録日2014-12-16
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E.
Mol.Cell, 57, 2015
7DZ9
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MbnABC complex
分子名称: FE (III) ION, MbnA, MbnB, ...
著者Chao, D, Dan, Z, Yijun, G, Wei, C.
登録日2021-01-25
公開日2022-03-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
7FC0
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BU of 7fc0 by Molmil
Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII)
分子名称: FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ...
著者Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C.
登録日2021-07-13
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.643 Å)
主引用文献Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
5W86
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BU of 5w86 by Molmil
CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 7)
分子名称: 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide, Tyrosine-protein kinase JAK3
著者Sack, J.S.
登録日2017-06-21
公開日2017-10-11
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
4U81
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MEK1 Kinase bound to small molecule inhibitor G659
分子名称: 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Robarge, K.D, Ultsch, M.H, Weismann, C.
登録日2014-07-31
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
4U80
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MEK 1 kinase bound to G799
分子名称: 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Ultsch, M.H, Robarge, K.D, Weismann, C.
登録日2014-07-31
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
7EFS
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BU of 7efs by Molmil
Fructose-bisphosphate aldolase in Artemisia sieversiana pollen
分子名称: Fructose-bisphosphate aldolase
著者Li, Z, Wei, C, Ji Fu, W, Zhi Qiang, X.
登録日2021-03-23
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of fructose-bisphosphate aldose as a novel type of major allergen from Artemisia pollen
To Be Published

224572

件を2024-09-04に公開中

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