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PDB: 771 件
4QP1
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BU of 4qp1 by Molmil
Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
分子名称: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP9
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BU of 4qp9 by Molmil
Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP4
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BU of 4qp4 by Molmil
Crystal Structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
分子名称: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QPA
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BU of 4qpa by Molmil
Crystal Structure of ERK2 in complex with 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP7
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BU of 4qp7 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
1OY5
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BU of 1oy5 by Molmil
Crystal structure of tRNA (m1G37) methyltransferase from Aquifex aeolicus
分子名称: tRNA (Guanine-N(1)-)-methyltransferase
著者Liu, J, Wang, W, Shin, D.H, Yokota, H, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
登録日2003-04-03
公開日2003-11-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of tRNA (m1G37) methyltransferase from Aquifex aeolicus at 2.6 A resolution: a novel methyltransferase fold.
Proteins, 53, 2003
4G5O
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BU of 4g5o by Molmil
Structure of LGN GL4/Galphai3(Q147L) 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 (2.9 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
3PHI
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BU of 3phi by Molmil
Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with Shikimate and NADPH
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Shikimate dehydrogenase
著者Cheng, W.C, Lin, S.C, Wang, W.C.
登録日2010-11-04
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with Shikimate and NADPH
To be Published
3PHJ
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BU of 3phj by Molmil
Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with 3-Dehydroshikimate
分子名称: 3-DEHYDROSHIKIMATE, Shikimate dehydrogenase
著者Cheng, W.C, Lin, S.C, Lin, C.H, Wang, W.C.
登録日2010-11-04
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with 3-Dehydroshikimate
To be Published
2H6Q
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BU of 2h6q by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
分子名称: Histone H3 K4-Me3 9-residue peptide, WD-repeat protein 5
著者Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
登録日2006-06-01
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
2H68
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BU of 2h68 by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
分子名称: WD-repeat protein 5
著者Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
登録日2006-05-30
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
2H6K
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BU of 2h6k by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
分子名称: Histone H3 K4-Me 9-residue peptide, WD-repeat protein 5
著者Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
登録日2006-05-31
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
2H6N
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BU of 2h6n by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
分子名称: Histone H3 K4-Me2 9-residue peptide, WD-repeat protein 5
著者Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
登録日2006-05-31
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
5GO3
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BU of 5go3 by Molmil
Crystal structure of a di-nucleotide cyclase Vibrio mutant
分子名称: Cyclic GMP-AMP synthase
著者Ming, Z.H, Wang, W, Xie, Y.C, Chen, Y.C, Yan, L.M, Lou, Z.Y.
登録日2016-07-26
公開日2016-11-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a di-nucleotide cyclase Vibrio mutant
To Be Published
3QBE
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BU of 3qbe by Molmil
Crystal structure of the 3-Dehydroquinate Synthase (aroB) from Mycobacterium tuberculosis
分子名称: 3-dehydroquinate synthase, CHLORIDE ION, ZINC ION
著者Cheng, W.C, Wen, Y.H, Wang, W.C.
登録日2011-01-13
公開日2012-01-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of the 3-Dehydroquinate Synthase (aroB) from Mycobacterium tuberculosis
To be Published
3C4F
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BU of 3c4f by Molmil
FGFR TYROSINE KINASE DOMAIN IN COMPLEX WITH 3-(3-methoxybenzyl)-7-azaindole
分子名称: 3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine, Basic fibroblast growth factor receptor 1
著者Zhang, K.Y.J, Wang, W.
登録日2008-01-29
公開日2008-02-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
3QBD
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BU of 3qbd by Molmil
3-Dehydroquinate Synthase (aroB) from Mycobacterium tuberculosis in complex with NAD
分子名称: 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Cheng, W.C, Chen, T.J, Wang, W.C.
登録日2011-01-13
公開日2012-01-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献3-Dehydroquinate Synthase (aroB) from Mycobacterium tuberculosis in complex with NAD
To be Published
8H0O
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BU of 8h0o by Molmil
Crystal structure of human serum albumin and ruthenium PZA complex adduct
分子名称: Albumin, CHLORIDE ION, NITRIC OXIDE, ...
著者Gong, W.J, Wang, Y, Bai, H.H, Wang, W.M, Wang, H.F.
登録日2022-09-30
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2.479 Å)
主引用文献Crystal structure of human serum albumin and ruthenium PZA complex adduct
To Be Published
3PHG
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BU of 3phg by Molmil
Crystal structure of the Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori
分子名称: Shikimate dehydrogenase
著者Cheng, W.C, Lin, S.C, Wang, W.C.
登録日2010-11-04
公開日2011-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal structure of the Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori
To be Published
3PHH
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BU of 3phh by Molmil
Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with Shikimate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase
著者Cheng, W.C, Lin, S.C, Wang, W.C.
登録日2010-11-04
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with Shikimate
To be Published
4L7J
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BU of 4l7j by Molmil
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)
分子名称: 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4L7G
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BU of 4l7g by Molmil
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1)
分子名称: (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4LC7
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BU of 4lc7 by Molmil
Aminooxazoline inhibitor of BACE-1
分子名称: (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine, Beta-Secretase-1, NICKEL (II) ION
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wu, C, Wang, W, Smith, D, Vigers, G.P.A, Dutcher, D, Hunt, K.W, Siu, M.
登録日2013-06-21
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4L7H
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BU of 4l7h by Molmil
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)
分子名称: 2-[(3aR,7aR)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1, ...
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4G5Q
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BU of 4g5q by Molmil
Structure of LGN GL4/Galphai1 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 (2.9 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

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