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2VTP
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2J14
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3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2
分子名称: (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA
著者Epple, R, Azimioara, M, Russo, R, Xie, Y, Wang, X, Cow, C, Wityak, J, Karanewsky, D, Bursulaya, B, Kreusch, A, Tuntland, T, Gerken, A, Iskandar, M, Saez, E, Seidel, H.M, Tian, S.S.
登録日2006-08-08
公開日2006-09-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献3,4,5-Trisubstituted Isoxazoles as Novel Ppardelta Agonists. Part 2
Bioorg.Med.Chem.Lett., 16, 2006
2IWE
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Structure of a cavity mutant (H117G) of Pseudomonas aeruginosa azurin
分子名称: 1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE), AZURIN, ZINC ION
著者De Jongh, T.E, Van Roon, A.M.M, Prudencio, M, Ubbink, M, Canters, G.W.
登録日2006-06-29
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Click-Chemistry with an Active Site Variant of Azurin
Eur.J.Inorg.Chem., 2006, 2006
2IYN
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The co-factor-induced pre-active conformation in PhoB
分子名称: MAGNESIUM ION, PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB
著者Sola, M, Drew, D.L, Blanco, A.G, Gomis-Ruth, F.X, Coll, M.
登録日2006-07-19
公開日2006-08-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The Cofactor-Induced Pre-Active Conformation in Phob.
Acta Crystallogr.,Sect.D, 62, 2006
2IGQ
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Human euchromatic histone methyltransferase 1
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, euchromatic histone methyltransferase 1
著者Min, J, Wu, H, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-09-23
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
3ZNS
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HDAC7 bound with TFMO inhibitor tmp942
分子名称: HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
著者Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
登録日2013-02-15
公開日2013-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
4USF
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Human SLK with SB-440719
分子名称: 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE
著者Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S.
登録日2014-07-07
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
2W52
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2 beta-glucans (6-O-glucosyl-laminaritriose) in both donor and acceptor sites of GH16 Laminarinase 16A from Phanerochaete chrysosporium.
分子名称: PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
著者Vasur, J, Kawai, R, Andersson, E, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J.
登録日2008-12-03
公開日2009-07-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献X-Ray Crystal Structures of Phanerochaete Chrysosporium Laminarinase 16A in Complex with Products from Lichenin and Laminarin Hydrolysis
FEBS J., 276, 2009
7AMA
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IL-17A in complex with small molecule modulators
分子名称: Interleukin-17A, ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide
著者Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M.
登録日2020-10-08
公開日2022-04-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases.
J.Med.Chem., 65, 2022
1K36
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NMR Structure of human Epiregulin
分子名称: Epiregulin
著者Sato, K, Miura, K, Tada, M, Aizawa, T, Miyamoto, K, Kawano, K.
登録日2001-10-02
公開日2003-09-30
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of epiregulin and the effect of its C-terminal domain for receptor binding affinity
Febs Lett., 553, 2003
7AMG
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BU of 7amg by Molmil
IL-17A in complex with small molecule modulators
分子名称: (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid, Interleukin-17A
著者Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M.
登録日2020-10-08
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases.
J.Med.Chem., 65, 2022
2VTM
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BU of 2vtm by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VU3
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-20
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
4UYN
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SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
著者Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C.
登録日2014-09-02
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
4RGJ
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Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
分子名称: Calcium-dependent protein kinase 4
著者Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC)
登録日2014-09-30
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
To be Published
1K37
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NMR Structure of human Epiregulin
分子名称: Epiregulin
著者Sato, K, Miura, K, Tada, M, Aizawa, T, Miyamoto, K, Kawano, K.
登録日2001-10-02
公開日2003-09-30
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of epiregulin and the effect of its C-terminal domain for receptor binding affinity
Febs Lett., 553, 2003
2IK8
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Crystal structure of the heterodimeric complex of human RGS16 and activated Gi alpha 1
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ...
著者Soundararajan, M, Turnbull, A.P, Papagrigoriou, E, Debreczeni, J, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-10-02
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2W39
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Glc(beta-1-3)Glc disaccharide in -1 and -2 sites of Laminarinase 16A from Phanerochaete chrysosporium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-glucono-1,5-lactone, PUTATIVE LAMINARINASE, ...
著者Vasur, J, Kawai, R, Andersson, E, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J.
登録日2008-11-07
公開日2009-07-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献X-Ray Crystal Structures of Phanerochaete Chrysosporium Laminarinase 16A in Complex with Products from Lichenin and Laminarin Hydrolysis
FEBS J., 276, 2009
2VPZ
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Polysulfide reductase native structure
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, HYPOTHETICAL MEMBRANE SPANNING PROTEIN, IRON/SULFUR CLUSTER, ...
著者Jormakka, M, Yokoyama, K, Yano, T, Tamakoshi, M, Akimoto, S, Shimamura, T, Curmi, P, Iwata, S.
登録日2008-03-09
公開日2008-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Mechanism of Energy Conservation in Polysulfide Respiration
Nat.Struct.Mol.Biol., 15, 2008
7BS8
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Bovine Pancreatic Trypsin with Benzamidine (Cryo)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
登録日2020-03-30
公開日2020-08-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
2IEZ
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Crystal Structure of mouse Rab27b bound to GDP in monoclinic space group
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-27B
著者Chavas, L.M.G, Torii, S, Kamikubo, H, Kawasaki, M, Ihara, K, Kato, R, Kataoka, M, Izumi, T, Wakatsuki, S.
登録日2006-09-19
公開日2007-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the small GTPase Rab27b shows an unexpected swapped dimer
Acta Crystallogr.,Sect.D, 63, 2007
7BS2
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Bovine Pancreatic Trypsin with serotonin (Room Temperature)
分子名称: CALCIUM ION, Cationic trypsin, SEROTONIN, ...
著者Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
登録日2020-03-30
公開日2020-08-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7TBL
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Composite structure of the human nuclear pore complex (NPC) cytoplasmic face generated with a 12A cryo-ET map of the purified HeLa cell NPC
分子名称: DDX19, ELYS, GLE1, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-12-22
公開日2022-06-22
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
2J6D
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CONKUNITZIN-S2 - CONE SNAIL NEUROTOXIN - DENOVO STRUCTURE
分子名称: CONKUNITZIN-S2
著者Korukottu, J, Bayrhuber, M, Montaville, P, Vijayan, V, Jung, Y.-S, Becker, S, Zweckstetter, M.
登録日2006-09-27
公開日2007-01-16
最終更新日2021-06-23
実験手法SOLUTION NMR
主引用文献Fast High-Resolution Protein Structure Determination by Using Unassigned NMR Data.
Angew.Chem.Int.Ed.Engl., 46, 2007
2ICP
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Crystal structure of the bacterial antitoxin HigA from Escherichia coli at pH 4.0. Northeast Structural Genomics Consortium TARGET ER390.
分子名称: MAGNESIUM ION, antitoxin higa
著者Arbing, M.A, Abashidze, M, Hurley, J.M, Zhao, L, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Inouye, M, Woychik, N.A, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-13
公開日2006-09-26
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of the bacterial antitoxin HigA from Escherichia coli.
To be Published

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