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PDB: 512 件

3URK
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BU of 3urk by Molmil
IspH in complex with propynyl diphosphate (1061)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-22
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
4TO2
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BU of 4to2 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dGTP/dTTP complex
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
3UTC
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BU of 3utc by Molmil
Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate
分子名称: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-25
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
4TO1
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BU of 4to1 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP/dCTP-dCTP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TNZ
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BU of 4tnz by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dTTP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TNR
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BU of 4tnr by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dATP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-04
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TO4
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BU of 4to4 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP-dCTP complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TNQ
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BU of 4tnq by Molmil
Structural basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dTTP complex
分子名称: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-04
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TO6
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BU of 4to6 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dATP-dTTP/dGTP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TNY
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BU of 4tny by Molmil
Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dATP-dGTP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
登録日2014-06-05
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
3UV3
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BU of 3uv3 by Molmil
Ec_IspH in complex with but-2-ynyl diphosphate (1086)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, but-2-yn-1-yl trihydrogen diphosphate
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-29
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UV6
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BU of 3uv6 by Molmil
Ec_IspH in complex with 4-hydroxybutyl diphosphate (1301)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-hydroxybutyl trihydrogen diphosphate, IRON/SULFUR CLUSTER
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-29
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UWM
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BU of 3uwm by Molmil
Ec_IspH in complex with 4-oxobutyl diphosphate (1302)
分子名称: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ...
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-12-02
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
6SKV
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BU of 6skv by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH2)
分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
著者Groves, M.R, Wang, W, van Oosterwijk, N.
登録日2019-08-16
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Target diazotransfer reagents to label metalloenzymes
To Be Published
6SKT
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BU of 6skt by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH0)
分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
著者Groves, M.R, Wang, W, van Oosterwijk, N.
登録日2019-08-16
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Target diazotransfer reagents to label metalloenzymes
To Be Published
6SU9
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BU of 6su9 by Molmil
Crystal structure of Plasmodium falciparum PdxK with ligands AMP-PNP and PL
分子名称: 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Groves, M.R, Gao, K, Wang, W.
登録日2019-09-13
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of Plasmodium falciparum PdxK with ligands AMP-PNP and PL.
Crystals, 2019
6SKS
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BU of 6sks by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH1)
分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
著者Groves, M.R, Wang, W, van Oosterwijk, N.
登録日2019-08-16
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Target diazotransfer reagents to label metalloenzymes
To Be Published
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
分子名称: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY4
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BU of 4zy4 by Molmil
Crystal structure of P21 activated kinase 1 in complex with an inhibitor compound 4
分子名称: 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Rouge, R, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4G5S
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BU of 4g5s by Molmil
Structure of LGN GL3/Galphai3 complex
分子名称: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
登録日2012-07-18
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
8GZ4
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BU of 8gz4 by Molmil
Crystal structure of MPXV phosphatase
分子名称: Dual specificity protein phosphatase H1, PHOSPHATE ION
著者Yang, H.T, Wang, W, Huang, H.J, Ji, X.Y.
登録日2022-09-25
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Crystal structure of monkeypox H1 phosphatase, an antiviral drug target.
Protein Cell, 14, 2023
1NI1
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BU of 1ni1 by Molmil
Imidazole and cyanophenyl farnesyl transferase inhibitors
分子名称: 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
著者Tong, Y, Lin, N.H, Wang, L, Hasvold, L, Wang, W, Leonard, N, Li, T, Li, Q, Cohen, J, Gu, W.Z, Zhang, H, Stoll, V, Bauch, J, Marsh, K, Rosenberg, S.H, Sham, H.L.
登録日2002-12-20
公開日2004-04-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 13, 2003
4H75
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BU of 4h75 by Molmil
Crystal structure of human Spindlin1 in complex with a histone H3K4(me3) peptide
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Histone H3, ...
著者Yang, N, Wang, W, Wang, Y, Wang, M, Zhao, Q, Rao, Z, Zhu, B, Xu, R.M.
登録日2012-09-20
公開日2012-10-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Distinct mode of methylated lysine-4 of histone H3 recognition by tandem tudor-like domains of Spindlin1.
Proc.Natl.Acad.Sci.USA, 109, 2012
5K4J
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BU of 5k4j by Molmil
Crystal Structure of CDK2 in complex with compound 22
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, Cyclin-dependent kinase 2
著者Yin, J, Wang, W.
登録日2016-05-20
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016

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件を2024-06-12に公開中

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