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PDB: 538 件

4N9D
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Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ...
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4L7J
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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
7RP4
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Crystal structure of KRAS G12C in complex with GNE-1952
分子名称: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
2ARG
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FORMATION OF AN AMINO ACID BINDING POCKET THROUGH ADAPTIVE ZIPPERING-UP OF A LARGE DNA HAIRPIN LOOP, NMR, 9 STRUCTURES
分子名称: ARGININEAMIDE, DNA APTAMER [5'-D (*TP*GP*AP*CP*CP*AP*GP*GP*GP*CP*AP*AP*AP*CP*GP*GP*TP*AP* GP*GP*TP*GP*AP*GP*TP*GP*GP*TP*CP*A)-3']
著者Lin, C.H, Wang, W, Jones, R.A, Patel, D.J.
登録日1998-08-19
公開日1999-03-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Formation of an amino-acid-binding pocket through adaptive zippering-up of a large DNA hairpin loop.
Chem.Biol., 5, 1998
4L7H
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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
1KKF
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Complex of E. coli Adenylosuccinate Synthetase with IMP, Hadacidin, Pyrophosphate, and Mg
分子名称: Adenylosuccinate Synthetase, DIPHOSPHATE, HADACIDIN, ...
著者Hou, Z, Wang, W, Fromm, H.J, Honzatko, R.B.
登録日2001-12-07
公開日2002-03-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献IMP Alone Organizes the Active Site of Adenylosuccinate Synthetase from Escherichia coli.
J.Biol.Chem., 277, 2002
6CQF
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Crystal structure of HPK1 in complex an inhibitor G1858
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
著者Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W.
登録日2018-03-15
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
1D6D
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SOLUTION DNA STRUCTURE CONTAINING (A-A)-T TRIADS INTERDIGITATED BETWEEN A-T BASE PAIRS AND GGGG TETRADS; NMR, 8 STRUCT.
分子名称: 5'-D(*AP*AP*GP*GP*TP*TP*TP*TP*AP*AP*GP*G)-3'
著者Kuryavyi, V.V, Kettani, A, Wang, W, Jones, R, Patel, D.J.
登録日1999-10-13
公開日2000-01-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A diamond-shaped zipper-like DNA architecture containing triads sandwiched between mismatches and tetrads.
J.Mol.Biol., 295, 2000
4L7G
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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
1YVL
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Structure of Unphosphorylated STAT1
分子名称: 5-residue peptide, GOLD ION, Signal transducer and activator of transcription 1-alpha/beta
著者Mao, X, Ren, Z, Parker, G.N, Sondermann, H, Pastorello, M.A, Wang, W, McMurray, J.S, Demeler, B, Darnell Jr, J.E, Chen, X.
登録日2005-02-16
公開日2005-03-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural bases of unphosphorylated STAT1 association and receptor binding.
Mol.Cell, 17, 2005
6CQE
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Crystal structure of HPK1 kinase domain S171A mutant
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1
著者Wu, P, Lehoux, I, Mortara, K, Franke, Y, Wang, W.
登録日2018-03-15
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.886 Å)
主引用文献Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
1FRY
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BU of 1fry by Molmil
THE SOLUTION STRUCTURE OF SHEEP MYELOID ANTIMICROBIAL PEPTIDE, RESIDUES 1-29 (SMAP29)
分子名称: MYELOID ANTIMICROBIAL PEPTIDE
著者Tack, B.F, Sawai, M.V, Kearney, W.R, Robertson, A.D, Sherman, M.A, Wang, W, Hong, T, Boo, L.M, Wu, H, Waring, A.J, Lehrer, R.I.
登録日2000-09-07
公開日2002-03-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献SMAP-29 has two LPS-binding sites and a central hinge.
Eur.J.Biochem., 269, 2002
3HVL
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Tethered PXR-LBD/SRC-1p complexed with SR-12813
分子名称: Pregnane X receptor, Linker, Steroid receptor coactivator 1, ...
著者Lesburg, C.A, Wang, W, Prosise, W.W, Chen, J, Taremi, S.S, Le, H.V, Madison, V, Cui, X, Thomas, A, Cheng, K.C.
登録日2009-06-16
公開日2009-08-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Construction and characterization of a fully active PXR/SRC-1 tethered protein with increased stability
Protein Eng.Des.Sel., 21, 2008
4N9C
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Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
1KKB
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Complex of Escherichia coli Adenylosuccinate Synthetase with IMP and Hadacidin
分子名称: Adenylosuccinate Synthetase, HADACIDIN, INOSINIC ACID
著者Hou, Z, Wang, W, Fromm, H.J, Honzatko, R.B.
登録日2001-12-06
公開日2002-03-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献IMP Alone Organizes the Active Site of Adenylosuccinate Synthetase from Escherichia coli.
J.Biol.Chem., 277, 2002
2AI2
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Purine nucleoside phosphorylase from calf spleen
分子名称: ((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ...
著者Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E.
登録日2005-07-28
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase.
Acta Crystallogr.,Sect.D, 61, 2005
2ATG
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NMR structure of Retrocyclin-2 in SDS
分子名称: Retrocyclin-2
著者Daly, N.L, Chen, Y.K, Rosengren, K.J, Marx, U.C, Phillips, M.L, Waring, A.J, Wang, W, Lehrer, R.I, Craik, D.J.
登録日2005-08-24
公開日2005-09-06
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Retrocyclin-2: structural analysis of a potent anti-HIV theta-defensin
Biochemistry, 46, 2007
4QC2
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Crystal structure of lipopolysaccharide transport protein LptB in complex with ATP and Magnesium ions
分子名称: ABC transporter related protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Wang, Z, Xiang, Q, Zhu, X, Dong, H, He, C, Wang, H, Zhang, Y, Wang, W, Dong, C.
登録日2014-05-09
公開日2014-10-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural and functional studies of conserved nucleotide-binding protein LptB in lipopolysaccharide transport.
Biochem.Biophys.Res.Commun., 452, 2014
2AI3
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Purine nucleoside phosphorylase from calf spleen
分子名称: (2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ...
著者Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E.
登録日2005-07-28
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase.
Acta Crystallogr.,Sect.D, 61, 2005
2CO0
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WDR5 and unmodified Histone H3 complex at 2.25 Angstrom
分子名称: HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5
著者Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
登録日2006-05-25
公開日2006-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 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
2CNX
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WDR5 and Histone H3 Lysine 4 dimethyl complex at 2.1 angstrom
分子名称: HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5
著者Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
登録日2006-05-25
公開日2006-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 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
5CIO
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Crystal structure of PqqF
分子名称: ZINC ION, pyrroloquinoline quinone biosynthesis protein PqqF
著者Wei, Q, Xu, D, Ran, T, Wang, W.
登録日2015-07-13
公開日2016-06-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure and Function of PqqF Protein in the Pyrroloquinoline Quinone Biosynthetic Pathway
J.Biol.Chem., 291, 2016
3C4E
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Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole
分子名称: IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine, Proto-oncogene serine/threonine-protein kinase Pim-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 (1.98 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
5CZW
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Crystal structure of myroilysin
分子名称: Myroilysin, ZINC ION
著者Zhou, J, Ran, T, Xu, D, Wang, W.
登録日2015-08-01
公開日2016-08-03
最終更新日2017-04-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Myroilysin is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Activated by a Cysteine-switch Mechanism
J. Biol. Chem., 292, 2017
5DPQ
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Crystal Structure of E72A mutant of domain swapped dimer Human Cellular Retinol Binding Protein
分子名称: ACETATE ION, Retinol-binding protein 2
著者Assar, Z, Nossoni, Z, Wang, W, Geiger, J.H, Borhan, B.
登録日2015-09-14
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016

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