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1C6V
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BU of 1c6v by Molmil
SIV INTEGRASE (CATALYTIC DOMAIN + DNA BIDING DOMAIN COMPRISING RESIDUES 50-293) MUTANT WITH PHE 185 REPLACED BY HIS (F185H)
分子名称: PROTEIN (SIU89134), PROTEIN (SIV INTEGRASE)
著者Chen, Z, Yan, Y, Munshi, S, Li, Y, Zruygay-Murphy, J, Xu, B, Witmer, M, Felock, P, Wolfe, A, Sardana, V, Emini, E.A, Hazuda, D, Kuo, L.C.
登録日1999-12-21
公開日2000-12-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray structure of simian immunodeficiency virus integrase containing the core and C-terminal domain (residues 50-293)--an initial glance of the viral DNA binding platform.
J.Mol.Biol., 296, 2000
1DPR
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BU of 1dpr by Molmil
STRUCTURES OF THE APO-AND METAL ION ACTIVATED FORMS OF THE DIPHTHERIA TOX REPRESSOR FROM CORYNEBACTERIUM DIPHTHERIAE
分子名称: DIPHTHERIA TOX REPRESSOR
著者Schiering, N, Tao, X, Murphy, J, Petsko, G.A, Ringe, D.
登録日1995-02-06
公開日1995-09-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of the apo- and the metal ion-activated forms of the diphtheria tox repressor from Corynebacterium diphtheriae.
Proc.Natl.Acad.Sci.USA, 92, 1995
3A62
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BU of 3a62 by Molmil
Crystal structure of phosphorylated p70S6K1
分子名称: MANGANESE (II) ION, Ribosomal protein S6 kinase beta-1, STAUROSPORINE
著者Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
登録日2009-08-18
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3A61
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BU of 3a61 by Molmil
Crystal structure of unphosphorylated p70S6K1 (Form II)
分子名称: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
著者Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
登録日2009-08-18
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.43 Å)
主引用文献Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3A60
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Crystal structure of unphosphorylated p70S6K1 (Form I)
分子名称: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
著者Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
登録日2009-08-17
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
5E7F
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BU of 5e7f by Molmil
Complex between lactococcal phage Tuc2009 RBP head domain and a nanobody (L06)
分子名称: Major structural protein 1, nanobody L06
著者Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C.
登録日2015-10-12
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
5E7T
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BU of 5e7t by Molmil
Structure of the tripod (BppUct-A-L) from the baseplate of bacteriophage Tuc2009
分子名称: CALCIUM ION, Major structural protein 1, Minor structural protein 4, ...
著者Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C.
登録日2015-10-13
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
5E7B
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BU of 5e7b by Molmil
Structure of a nanobody (vHH) from camel against phage Tuc2009 RBP (BppL, ORF53)
分子名称: nanobody nano-L06
著者Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C.
登録日2015-10-12
公開日2015-12-30
最終更新日2016-05-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
3RVG
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BU of 3rvg by Molmil
Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor
分子名称: 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide, Tyrosine-protein kinase JAK2
著者Lim, J, Taoka, B, Otte, R.D, Spencer, K, Dinsmore, C.J, Altman, M.D, Chan, G, Rosenstein, C, Sharma, S, Su, H.P, Szewczak, A.A, Xu, L, Yin, H, Zugay-Murphy, J, Marshall, C.G, Young, J.R.
登録日2011-05-06
公開日2012-03-21
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders.
J.Med.Chem., 54, 2011
4MDT
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BU of 4mdt by Molmil
Structure of LpxC bound to the reaction product UDP-(3-O-(R-3-hydroxymyristoyl))-glucosamine
分子名称: PHOSPHATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, ...
著者Clayton, G.M, Klein, D.J, Rickert, K.W, Patel, S.B, Kornienko, M, Zugay-Murphy, J, Reid, J.C, Tummala, S, Sharma, S, Singh, S.B, Miesel, L, Lumb, K.J, Soisson, S.M.
登録日2013-08-23
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure of the Bacterial Deacetylase LpxC Bound to the Nucleotide Reaction Product Reveals Mechanisms of Oxyanion Stabilization and Proton Transfer.
J.Biol.Chem., 288, 2013
8AYH
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BU of 8ayh by Molmil
Structure of Complement C5 in Complex with small molecule inhibitor and CVF
分子名称: 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid, Cobra venom factor, Complement C5 alpha chain, ...
著者Srinivas, H.
登録日2022-09-02
公開日2022-12-21
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献A small-molecule inhibitor of C5 complement protein.
Nat.Chem.Biol., 15, 2019
7RK8
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BU of 7rk8 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 9 with Engineered Peptide Domain PHP.B (AAV9-PHP.B)
分子名称: Capsid protein VP1
著者Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2021-07-22
公開日2021-08-04
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
7RK9
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BU of 7rk9 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 1 with Engineered Peptide Domain PHP.B (AAV1-PHP.B)
分子名称: Capsid protein
著者Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2021-07-22
公開日2021-08-04
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (2.32 Å)
主引用文献Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
7R0N
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BU of 7r0n by Molmil
KRasG12C in complex with GDP and compound 2
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostermann, N.
登録日2022-02-02
公開日2022-04-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R0M
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KRasG12C in complex with GDP and JDQ443
分子名称: 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ostermann, N.
登録日2022-02-02
公開日2022-04-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.611 Å)
主引用文献Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R0Q
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KRasG12C in complex with GDP and compound 3
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostermann, N.
登録日2022-02-02
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
6M8Q
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BU of 6m8q by Molmil
Cleavage and Polyadenylation Specificity Factor Subunit 3 (CPSF3) in complex with NVP-LTM531
分子名称: Cleavage and polyadenylation specificity factor subunit 3, N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine, PHOSPHATE ION, ...
著者Weihofen, W.A, Salcius, M, Michaud, G.
登録日2018-08-22
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma.
Nat.Chem.Biol., 16, 2020
3F9N
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Crystal structure of chk1 kinase in complex with inhibitor 38
分子名称: 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Yan, Y, Munshi, S, Ikuta, M.
登録日2008-11-14
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of thioquinazolinones, allosteric Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5CS2
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BU of 5cs2 by Molmil
Crystal structure of Plasmodium falciparum diadenosine triphosphate hydrolase in complex with Cyclomarin A
分子名称: CHLORIDE ION, Cyclomarin A, Histidine triad protein
著者Ostermann, N, Schmitt, E, Gerhartz, B, Hinniger, A, Delmas, C.
登録日2015-07-23
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Gift from Nature: Cyclomarin A Kills Mycobacteria and Malaria Parasites by Distinct Modes of Action.
Chembiochem, 16, 2015

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