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5MQM
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Glycoside hydrolase BT_0986
分子名称: CALCIUM ION, D-rhamnopyranose tetrazole, Glycosyl hydrolases family 2, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQO
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Glycoside hydrolase BT_1003
分子名称: Non-reducing end beta-L-arabinofuranosidase
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MSY
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Glycoside hydrolase BT_1012
分子名称: AMMONIA, Glycoside hydrolase, PHOSPHATE ION
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-06
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
4QQY
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Crystal structure of T. fusca Cas3-ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
4QQX
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Crystal structure of T. fusca Cas3-ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
4QQW
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Crystal structure of T. fusca Cas3
分子名称: CRISPR-associated helicase, Cas3 family, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.664 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
6OPH
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phosphorylated ERK2 with GDC-0994
分子名称: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
著者Vigers, G.P, Smith, D.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPG
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phosphorylated ERK2 with AMP-PNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Vigers, G.P, Smith, D.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
7XPR
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Crystal structrue of SeMet-MtdL:GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transglycosylse
著者Li, F.D, He, C.
登録日2022-05-05
公開日2023-03-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPV
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crysteal structure of MtdL-S228A-His soaked with GDP-Fucf and Mn
分子名称: MANGANESE (II) ION, Transglycosylse, [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate
著者Li, F.D, He, C.
登録日2022-05-05
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPS
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BU of 7xps by Molmil
Crystal structrue of MtdL:GDP:Mn
分子名称: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Transglycosylse
著者Li, F.D, He, C.
登録日2022-05-05
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPT
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BU of 7xpt by Molmil
Crystal structrue of MtdL:GDP:Mn soaked with GDP-Glc
分子名称: GDP-ALPHA-D-GLUCOSE, MANGANESE (II) ION, Transglycosylse
著者Li, F.D, He, C.
登録日2022-05-05
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPU
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crystal structure of MtdL-S228A-His soaked GDP-Fucp and Mn
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, MANGANESE (II) ION, ...
著者Li, F.D, He, C.
登録日2022-05-05
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
5H05
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BU of 5h05 by Molmil
Crystal structure of AmyP E221Q in complex with MALTOTRIOSE
分子名称: AmyP, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者He, C, Liu, Y.
登録日2016-10-03
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of a raw-starch-degrading bacterial alpha-amylase belonging to subfamily 37 of the glycoside hydrolase family GH13
Sci Rep, 7, 2017
7N91
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P70 S6K1 IN COMPLEX WITH MSC2317067A-1
分子名称: 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
著者Mochalkin, I.
登録日2021-06-16
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
7N93
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P70 S6K1 IN COMPLEX WITH MSC2363318A-1
分子名称: 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
著者Mochalkin, I.
登録日2021-06-16
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
8T1I
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Atomic model of the mammalian Mediator complex with MED26 subunit
分子名称: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
著者Zhao, H, Asturias, F.
登録日2023-06-02
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (4.68 Å)
主引用文献An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II
To Be Published
6OQL
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BU of 6oql by Molmil
CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine
分子名称: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 6
著者Murray, J.M.
登録日2019-04-26
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.707 Å)
主引用文献Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
6OQI
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CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine)
分子名称: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2
著者Murray, J.M.
登録日2019-04-26
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
6OPK
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Phosphorylated ERK2 with Vertex-11e
分子名称: 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1
著者Vigers, G.P, Rudolph, J.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OQO
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CDK6 in complex with Cpd24 N-(5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)pyrimidin-2-amine
分子名称: Cyclin-dependent kinase 6, N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
著者Murray, J.M, Boenig, G.D.L.
登録日2019-04-26
公開日2020-07-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
5H06
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BU of 5h06 by Molmil
Crystal structure of AmyP in complex with maltose
分子名称: AmyP, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者He, C, Liu, Y.
登録日2016-10-03
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a raw-starch-degrading bacterial alpha-amylase belonging to subfamily 37 of the glycoside hydrolase family GH13
Sci Rep, 7, 2017
3MYG
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Aurora A Kinase complexed with SCH 1473759
分子名称: 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL
著者Hruza, A, Prosis, W, Ramanathan, L.
登録日2010-05-10
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core.
ACS Med Chem Lett, 1, 2010
4U6H
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BU of 4u6h by Molmil
Vaccinia L1/M12B9-Fab complex
分子名称: Heavy chain of murine anti-vaccinia L1 IgG2a antibody M12B9, Light chain of murine anti-vaccinia L1 IgG2a antibody M12B9, Protein L1
著者Matho, M.H, Schlossman, A, Zajonc, D.M.
登録日2014-07-29
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Potent neutralization of vaccinia virus by divergent murine antibodies targeting a common site of vulnerability in l1 protein.
J.Virol., 88, 2014
8JAH
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BU of 8jah by Molmil
Crystal structure of human CLEC12A C-type lectin domain
分子名称: C-type lectin domain family 12 member A, POTASSIUM ION, SULFATE ION
著者Lei, Q, Tang, H, Dong, X.
登録日2023-05-06
公開日2024-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Mechanistic insights into the C-type lectin receptor CLEC12A-mediated immune recognition of monosodium urate crystal.
J.Biol.Chem., 300, 2024

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