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4KON
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BU of 4kon by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with human receptor analog 6'SLNLN (NeuAcα2-6Galβ1-4GlcNAcβ1-3Galβ1-4Glc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-05-12
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
4KOL
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BU of 4kol by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-05-12
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
5VO2
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BU of 5vo2 by Molmil
DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7)
分子名称: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2017-05-01
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
4LKG
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BU of 4lkg by Molmil
The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with avian receptor analog 3'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKK
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BU of 4lkk by Molmil
The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with human receptor analog 6'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKJ
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BU of 4lkj by Molmil
The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with avian receptor analog 3'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKH
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BU of 4lkh by Molmil
The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with human receptor analog 6'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.099 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LCX
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BU of 4lcx by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus (A/Shanghai/1/2013)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-06-24
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.094 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
5VO1
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BU of 5vo1 by Molmil
DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine)
分子名称: 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2017-05-01
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
4LKI
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BU of 4lki by Molmil
The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4UXX
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BU of 4uxx by Molmil
Structure of delta4-DgkA with AMPPCP in 9.9 MAG
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Li, D, Vogeley, L, Caffrey, M.
登録日2014-08-27
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UXW
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BU of 4uxw by Molmil
Structure of delta4-DgkA-apo in 9.9 MAG
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, DIACYLGLYCEROL KINASE, ...
著者Li, D, Pye, V.E, Aragao, D, Caffrey, M.
登録日2014-08-27
公開日2015-09-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UYO
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BU of 4uyo by Molmil
Structure of delta7-DgkA in 7.9 MAG by serial femtosecond crystatallography to 2.18 angstrom resolution
分子名称: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, CITRATE ANION, ...
著者Li, D, Howe, N, Other, O, Caffrey, M.
登録日2014-09-02
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UXZ
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BU of 4uxz by Molmil
Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution
分子名称: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, ACETATE ION, ...
著者Li, D, Howe, N, Caffrey, M.
登録日2014-08-27
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4Y0K
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BU of 4y0k by Molmil
Structure of crotonyl-CoA carboxylase/reductase AntE in complex with NADP
分子名称: AntE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Abe, I, Zhang, L, Mori, T.
登録日2015-02-06
公開日2015-09-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Rational Control of Polyketide Extender Units by Structure-Based Engineering of a Crotonyl-CoA Carboxylase/Reductase in Antimycin Biosynthesis
Angew.Chem.Int.Ed.Engl., 54, 2015
4Y1B
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BU of 4y1b by Molmil
Structure of crotonyl-CoA carboxylase/reductase AntE V350A in complex with NADP
分子名称: AntE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Abe, I, Zhang, L, Mori, T.
登録日2015-02-07
公開日2015-09-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rational Control of Polyketide Extender Units by Structure-Based Engineering of a Crotonyl-CoA Carboxylase/Reductase in Antimycin Biosynthesis
Angew.Chem.Int.Ed.Engl., 54, 2015
5KU3
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BU of 5ku3 by Molmil
BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
著者Murray, J.M, Huang, W.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
6IQD
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BU of 6iqd by Molmil
Crystal structure of Alcohol dehydrogenase from Geobacillus stearothermophilus
分子名称: Alcohol dehydrogenase, ZINC ION
著者Xue, S, Feng, Y, Guo, X, Zhao, Z.
登録日2018-11-07
公開日2019-06-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Characterization of the substrate scope of an alcohol dehydrogenase commonly used as methanol dehydrogenase.
Bioorg.Med.Chem.Lett., 29, 2019
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
分子名称: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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BU of 8h6p by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
分子名称: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
4OLT
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BU of 4olt by Molmil
Chitosanase complex structure
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Chitosanase, GLYCEROL
著者Liu, W.Z, Lyu, Q.Q, Han, B.Q.
登録日2014-01-25
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural insights into the substrate-binding mechanism for a novel chitosanase.
Biochem.J., 461, 2014
8JQK
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BU of 8jqk by Molmil
Crystal structure of a carbonyl reductase SSCR mutant from Sporobolomyces Salmonicolor
分子名称: Aldehyde reductase 2
著者Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M.
登録日2023-06-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
8JQJ
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BU of 8jqj by Molmil
Crystal structure of carbonyl reductase SSCR mutant 1 from Sporobolomyces Salmonicolor
分子名称: Aldehyde reductase 2
著者Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M.
登録日2023-06-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
6IJ1
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BU of 6ij1 by Molmil
Crystal structure of a protein from Actinoplanes
分子名称: ACETATE ION, IMIDAZOLE, Prenylcyclase
著者Yang, Z.Z, Zhang, L.L, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-10-08
公開日2019-09-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献Crystal structure of TchmY from Actinoplanes teichomyceticus.
Acta Crystallogr.,Sect.F, 75, 2019
5I95
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BU of 5i95 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid
分子名称: 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ...
著者Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017

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