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8XN7
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BU of 8xn7 by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f
分子名称: 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1
著者Huang, W.X, Liu, R, Ding, K.
登録日2023-12-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors.
Eur.J.Med.Chem., 269, 2024
1TFR
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BU of 1tfr by Molmil
RNASE H FROM BACTERIOPHAGE T4
分子名称: MAGNESIUM ION, T4 RNASE H
著者Mueser, T.C, Nossal, N.G, Hyde, C.C.
登録日1996-04-27
公開日1996-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure of bacteriophage T4 RNase H, a 5' to 3' RNA-DNA and DNA-DNA exonuclease with sequence similarity to the RAD2 family of eukaryotic proteins.
Cell(Cambridge,Mass.), 85, 1996
7T0D
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BU of 7t0d by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2k
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0C
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BU of 7t0c by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2e
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0E
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BU of 7t0e by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2b
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.223 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0B
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BU of 7t0b by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2g
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.026 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0A
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BU of 7t0a by Molmil
Cryptococcus neoformans protein farnesyltransferase co-crystallized with FPP and inhibitor 2f
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T09
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BU of 7t09 by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2d
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T08
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BU of 7t08 by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2q
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
6ZJW
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BU of 6zjw by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant D207A in complex with galactose
分子名称: Beta-galactosidase, beta-D-galactopyranose
著者Rutkiewicz, M, Bujacz, A, Bujacz, G.
登録日2020-06-29
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.119 Å)
主引用文献Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
6ZJX
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BU of 6zjx by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant D207A in complex with saccharose
分子名称: ACETATE ION, Beta-galactosidase, MALONATE ION, ...
著者Rutkiewicz, M, Bujacz, A, Bujacz, G.
登録日2020-06-29
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
1KXU
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BU of 1kxu by Molmil
CYCLIN H, A POSITIVE REGULATORY SUBUNIT OF CDK ACTIVATING KINASE
分子名称: CYCLIN H
著者Kim, K.K, Chamberin, H.M, Morgan, D.O, Kim, S.-H.
登録日1996-08-08
公開日1997-01-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Three-dimensional structure of human cyclin H, a positive regulator of the CDK-activating kinase.
Nat.Struct.Biol., 3, 1996
6ZJV
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BU of 6zjv by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant D207A
分子名称: Beta-galactosidase, MALONATE ION
著者Rutkiewicz, M, Bujacz, A, Bujacz, G.
登録日2020-06-29
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
6ZJP
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BU of 6zjp by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E517Q
分子名称: ACETATE ION, Beta-galactosidase, SODIUM ION
著者Rutkiewicz, M, Bujacz, A, Bujacz, G.
登録日2020-06-29
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
4MO7
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BU of 4mo7 by Molmil
Crystal structure of superantigen PfiT
分子名称: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Transcriptional regulator I2
著者Liu, L.H, Chen, H, Li, H.M.
登録日2013-09-11
公開日2014-02-05
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
4EZ9
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BU of 4ez9 by Molmil
Bacillus DNA Polymerase I Large Fragment Complex 2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ...
著者Wang, W, Beese, L.S.
登録日2012-05-02
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structures of a High-fidelity DNA Polymerase
to be published
4F3O
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BU of 4f3o by Molmil
DNA Polymerase I Large Fragment Complex 5
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*C*AP*TP*GP*AP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ...
著者Wang, W, Beese, L.S.
登録日2012-05-09
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structures of a High-fidelity DNA Polymerase
to be published
4F8R
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BU of 4f8r by Molmil
Bacillus DNA Polymerase I Large Fragment complex 7
分子名称: DNA (5'-D(*CP*AP*TP*TP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3'), DNA polymerase, ...
著者Wang, W, Beese, L.S.
登録日2012-05-17
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structures of a High-fidelity DNA Polymerase
to be published
4MXM
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BU of 4mxm by Molmil
Crystal structure of superantigen pfit
分子名称: Transcriptional regulator I2
著者Liu, L.H, Chen, H, Li, H.M.
登録日2013-09-26
公開日2014-09-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
4JZ0
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BU of 4jz0 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with CTT1055
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, CALCIUM ION, ...
著者Barinka, C.
登録日2013-04-02
公開日2014-04-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献A high affinity 18F-labeled phosphoramidate peptidomimetic inhibitor as a PSMA-targeted PET imaging agent for prostate cancer
To be Published
4DSE
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BU of 4dse by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment F710Y, DNA duplex, and rCTP (paired with dG of template) in presence of Mg2+
分子名称: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
著者Wang, W, Beese, L.S.
登録日2012-02-18
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
4EZ6
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BU of 4ez6 by Molmil
Bacillus DNA Polymerase I Large Fragment Complex 1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ...
著者Wang, W, Beese, L.S.
登録日2012-05-02
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structures of a High-fidelity DNA Polymerase
to be published
4F4K
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BU of 4f4k by Molmil
DNA Polymerase I Large Fragment Complex 6
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ...
著者Wang, W, Beese, L.S.
登録日2012-05-10
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of a High-fidelity DNA Polymerase
to be published
4JYW
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BU of 4jyw by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with CTT1057
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barinka, C.
登録日2013-04-01
公開日2014-04-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A high affinity 18F-labeled phosphoramidate peptidomimetic inhibitor as a PSMA-targeted PET imaging agent for prostate cancer
To be Published
3E3F
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BU of 3e3f by Molmil
H. influenzae beta-carbonic anhydrase, variant V47A with 100 mM bicarbonate
分子名称: BICARBONATE ION, Carbonic anhydrase 2, ZINC ION
著者Rowlett, R.S, Mysliwiec, M.
登録日2008-08-07
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010

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件を2024-10-02に公開中

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