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2H60
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Solution Structure of Human Brg1 Bromodomain
分子名称: Probable global transcription activator SNF2L4
著者Shen, W, Xu, C, Zhang, J, Wu, J, Shi, Y.
登録日2006-05-30
公開日2007-02-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of human Brg1 bromodomain and its specific binding to acetylated histone tails
Biochemistry, 46, 2007
8CNC
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BU of 8cnc by Molmil
Structure of compound 1 bound KMT9
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein
著者Sheng, W.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure of compound 1 bound KMT9
To Be Published
1L2N
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Smt3 Solution Structure
分子名称: Ubiquitin-like protein SMT3
著者Sheng, W, Liao, X.
登録日2002-02-22
公開日2002-03-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a yeast ubiquitin-like protein Smt3: the role of structurally less defined sequences in protein-protein recognitions.
Protein Sci., 11, 2002
1KQ8
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BU of 1kq8 by Molmil
Solution Structure of Winged Helix Protein HFH-1
分子名称: HEPATOCYTE NUCLEAR FACTOR 3 FORKHEAD HOMOLOG 1
著者Sheng, W, Rance, M, Liao, X.
登録日2002-01-04
公開日2002-01-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure comparison of two conserved HNF-3/fkh proteins HFH-1 and genesis indicates the existence of folding differences in their complexes with a DNA binding sequence.
Biochemistry, 41, 2002
1S7E
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BU of 1s7e by Molmil
Solution structure of HNF-6
分子名称: Hepatocyte nuclear factor 6
著者Liao, X, Sheng, W.
登録日2004-01-29
公開日2004-12-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the hepatocyte nuclear factor 6alpha and its interaction with DNA.
J.Biol.Chem., 279, 2004
6OGY
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BU of 6ogy by Molmil
In situ structure of Rotavirus RNA-dependent RNA polymerase at duplex-open state
分子名称: DNA/RNA (5'-D(*(GTG))-R(P*GP*C)-3'), Inner capsid protein VP2, RNA (5'-R(P*AP*GP*CP*C)-3'), ...
著者Ding, K, Chang, T, Shen, W, Roy, P, Zhou, Z.H.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献In situ structures of rotavirus polymerase in action and mechanism of mRNA transcription and release.
Nat Commun, 10, 2019
1AOA
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N-TERMINAL ACTIN-CROSSLINKING DOMAIN FROM HUMAN FIMBRIN
分子名称: T-FIMBRIN
著者Goldsmith, S.C, Pokala, N, Shen, W, Fedorov, A.A, Matsudaira, P, Almo, S.C.
登録日1997-06-30
公開日1997-12-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of an actin-crosslinking domain from human fimbrin.
Nat.Struct.Biol., 4, 1997
1YSG
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BU of 1ysg by Molmil
Solution Structure of the Anti-apoptotic Protein Bcl-xL in Complex with "SAR by NMR" Ligands
分子名称: 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL, Apoptosis regulator Bcl-X
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-08
公開日2005-06-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSW
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Solution structure of the anti-apoptotic protein Bcl-2 complexed with an acyl-sulfonamide-based ligand
分子名称: 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-09
公開日2005-06-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSI
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BU of 1ysi by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand
分子名称: Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-08
公開日2005-06-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSX
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BU of 1ysx by Molmil
Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed against Bcl-xL and Bcl-2
分子名称: 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE, Serum albumin
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-09
公開日2005-06-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSN
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BU of 1ysn by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL complexed with an acyl-sulfonamide-based ligand
分子名称: 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-08
公開日2005-06-07
最終更新日2023-11-29
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
3N9T
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BU of 3n9t by Molmil
Cryatal structure of Hydroxyquinol 1,2-dioxygenase from Pseudomonas putida DLL-E4
分子名称: 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, CITRATE ANION, FE (III) ION, ...
著者Liu, W, Shen, W, Fang, P, Li, J, Cui, Z.
登録日2010-05-31
公開日2010-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cryatal structure of Hydroxyquinol 1,2-dioxygenase from Pseudomonas putida DLL-E4
To be Published
1T49
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BU of 1t49 by Molmil
Allosteric Inhibition of Protein Tyrosine Phosphatase 1B
分子名称: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID (4-SULFAMOYL-PHENYL)-AMIDE, MAGNESIUM ION, Protein-tyrosine phosphatase, ...
著者Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K.
登録日2004-04-28
公開日2004-07-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric inhibition of protein tyrosine phosphatase 1B.
Nat.Struct.Mol.Biol., 11, 2004
1T48
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Allosteric Inhibition of Protein Tyrosine Phosphatase 1B
分子名称: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE, Protein-tyrosine phosphatase, non-receptor type 1
著者Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Erlanson, D.A, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K.
登録日2004-04-28
公開日2004-07-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
1T4J
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Allosteric Inhibition of Protein Tyrosine Phosphatase 1B
分子名称: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Protein-tyrosine phosphatase, non-receptor type 1
著者Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K.
登録日2004-04-29
公開日2004-07-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
2H2Z
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Crystal structure of SARS-CoV main protease with authentic N and C-termini
分子名称: Replicase polyprotein 1ab
著者Yang, H, Xue, X, Shen, W, Zhao, Q, Rao, Z.
登録日2006-05-20
公開日2007-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
2HOB
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Crystal structure of SARS-CoV main protease with authentic N and C-termini in complex with a Michael acceptor N3
分子名称: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Replicase polyprotein 1ab
著者Xue, X, Yang, H, Shen, W, Zhao, Q, Li, J, Rao, Z.
登録日2006-07-14
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
6OGZ
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In situ structure of Rotavirus RNA-dependent RNA polymerase at transcript-elongated state
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Inner capsid protein VP2, RNA (5'-R(P*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*A)-3'), ...
著者Ding, K, Chang, T, Shen, W, Roy, P, Zhou, Z.H.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献In situ structures of rotavirus polymerase in action and mechanism of mRNA transcription and release.
Nat Commun, 10, 2019
4Z0B
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Crystal Structure of the Fab Fragment of Anti-ofloxacin Antibody and Exploration Its Receptor Binding Site
分子名称: PHOSPHATE ION, antibody heavy chain, antibody light chain
著者He, K, Du, X, Sheng, W, Zhou, X, Wang, J, Wang, S.
登録日2015-03-26
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of the Fab Fragment of an Anti-ofloxacin Antibody and Exploration of Its Specific Binding.
J.Agric.Food Chem., 64, 2016
2JPC
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SSRB DNA Binding Protein
分子名称: SsrB
著者Liao, X, Kenney, L, Sheng, W, Integrated Center for Structure and Function Innovation (ISFI)
登録日2007-05-03
公開日2007-07-03
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献SSRB DNA Binding Protein
To be Published
2PPH
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BU of 2pph by Molmil
solution structure of human MEKK3 PB1 domain
分子名称: Mitogen-activated protein kinase kinase kinase 3
著者Hu, Q, Zhang, J, Wu, J, Shi, Y.
登録日2007-04-30
公開日2007-05-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Insight into the Binding Properties of MEKK3 PB1 to MEK5 PB1 from Its Solution Structure.
Biochemistry, 46, 2007
4DUM
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Co-crystal structure of eIF4E with inhibitor
分子名称: (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E
著者Min, X, Johnstone, S, Walker, N, Wang, Z.
登録日2012-02-22
公開日2012-04-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
4DT6
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Co-crystal structure of eIF4E with inhibitor
分子名称: 1,2-ETHANEDIOL, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), Eukaryotic translation initiation factor 4E, ...
著者Min, X, Johnstone, S, Walker, N, Wang, Z.
登録日2012-02-20
公開日2012-04-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
3D14
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Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
分子名称: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
著者Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J.
登録日2008-05-04
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008

 

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