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1P6S
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Solution Structure of the Pleckstrin Homology Domain of Human Protein Kinase B beta (Pkb/Akt)
分子名称: RAC-beta serine/threonine protein kinase
著者Auguin, D, Barthe, P, Auge-Senegas, M.T, Stern, M.H, Noguchi, M, Roumestand, C.
登録日2003-04-30
公開日2004-05-18
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of the pleckstrin homology domain of the human protein kinase B (PKB/Akt). Interaction with inositol phosphates.
J.BIOMOL.NMR, 28, 2004
2WTW
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BU of 2wtw by Molmil
Aurora-A Inhibitor Structure (2nd crystal form)
分子名称: 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6 AURORA/IPL1-RELATED KINASE 1, BREAST TUMOR-AMPLIFIED KINASE, ...
著者Kosmopoulou, M, Bayliss, R.
登録日2009-09-24
公開日2010-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design.
Biochem.J., 427, 2010
2JUU
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allo-ThrA3 DKP-insulin
分子名称: Insulin A chain, Insulin B chain
著者Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A.
登録日2007-09-03
公開日2007-10-16
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
1Q61
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PKA triple mutant model of PKB
分子名称: N-OCTANOYL-N-METHYLGLUCAMINE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A.
登録日2003-08-12
公開日2003-09-30
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
1Q62
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PKA double mutant model of PKB
分子名称: cAMP-dependent protein kinase inhibitor, alpha form, cAMP-dependent protein kinase, ...
著者Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A.
登録日2003-08-12
公開日2003-09-30
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
1Q24
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PKA double mutant model of PKB in complex with MgATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent Protein Kinase Inhibitor, ...
著者Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A.
登録日2003-07-23
公開日2003-08-19
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
3OMZ
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BU of 3omz by Molmil
Crystal structure of MICA-specific human gamma delta T cell receptor
分子名称: human Vdelta1 gamma delta T cell receptor delta1A/B-3
著者Xu, B, Holmes, M.A, Strong, R.K.
登録日2010-08-27
公開日2011-01-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Crystal structure of a {gamma}{delta} T-cell receptor specific for the human MHC class I homolog MICA.
Proc.Natl.Acad.Sci.USA, 108, 2011
1PY5
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BU of 1py5 by Molmil
Crystal Structure of TGF-beta receptor I kinase with inhibitor
分子名称: 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE, SULFATE ION, TGF-beta receptor type I
著者Zhang, F, Sawyer, J.S.
登録日2003-07-08
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain.
Bioorg.Med.Chem.Lett., 14, 2004
2JMN
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BU of 2jmn by Molmil
NMR structure of human insulin mutant His-B10-Asp, Pro-B28-Lys, Lys-B29-Pro, 20 structures
分子名称: Insulin A chain, Insulin B chain
著者Hua, Q.X, Hu, S.Q, Frank, B.H, Jia, W.H, Chu, Y.C, Wang, S.H, Burke, G.T, Katsoyannis, P.G, Weiss, M.A.
登録日2006-11-21
公開日2006-12-05
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Mapping the functional surface of insulin by design: structure and function of a novel A-chain analogue.
J.Mol.Biol., 264, 1996
2JUM
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BU of 2jum by Molmil
ThrA3-DKP-insulin
分子名称: Insulin A chain, Insulin B chain
著者Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A.
登録日2007-08-31
公開日2007-10-16
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
3NGR
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BU of 3ngr by Molmil
Crystal structure of Leishmania nucleoside diphosphate kinase b with unordered nucleotide-binding loop.
分子名称: Nucleoside diphosphate kinase, PHOSPHATE ION
著者Trindade, D.M, Sousa, T.A.C.B, Tonoli, C.C.C, Santos, C.R, Arni, R.K, Ward, R.J, Oliveira, A.H.C, Murakami, M.T.
登録日2010-06-13
公開日2011-04-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding.
Mol Biosyst, 7, 2011
1HME
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BU of 1hme by Molmil
STRUCTURE OF THE HMG BOX MOTIF IN THE B-DOMAIN OF HMG1
分子名称: HIGH MOBILITY GROUP PROTEIN FRAGMENT-B
著者Weir, H.M, Kraulis, P.J, Hill, C.S, Raine, A.R.C, Laue, E.D, Thomas, J.O.
登録日1994-02-10
公開日1994-05-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the HMG box motif in the B-domain of HMG1.
EMBO J., 12, 1993
3HKU
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BU of 3hku by Molmil
Human carbonic anhydrase II in complex with topiramate
分子名称: Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
著者Paul, B, Poulsen, S.-A, Hofmann, A.
登録日2009-05-25
公開日2009-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
1WG3
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BU of 1wg3 by Molmil
Structural analysis of yeast nucleosome-assembly factor CIA1p
分子名称: Anti-silencing protein 1
著者Padmanabhan, B, Kataoka, K, Umehara, T, Adachi, N, Yokoyama, S, Horikoshi, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-05-27
公開日2005-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Similarity between Histone Chaperone Cia1p/Asf1p and DNA-Binding Protein NF-{kappa}B
J.Biochem.(Tokyo), 138, 2005
2JUV
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BU of 2juv by Molmil
AbaA3-DKP-insulin
分子名称: Insulin A chain, Insulin B chain
著者Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A.
登録日2007-09-05
公開日2007-10-16
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
3MSH
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BU of 3msh by Molmil
Crystal structure of Hepatitis B X-Interacting Protein at high resolution
分子名称: GLYCEROL, Hepatitis B virus X-interacting protein, ISOPROPYL ALCOHOL, ...
著者Garcia-Saez, I, Skoufias, D.
登録日2010-04-29
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural Characterization of HBXIP: The Protein That Interacts with the Anti-Apoptotic Protein Survivin and the Oncogenic Viral Protein HBx.
J.Mol.Biol., 405, 2011
7TBF
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BU of 7tbf by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
著者Zhou, T, Tsybovsky, T, Kwong, P.D.
登録日2021-12-21
公開日2022-03-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCA
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BU of 7tca by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibody A19-46.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCC
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BU of 7tcc by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibodies A19-46.1 and B1-182.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
6TPE
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BU of 6tpe by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
分子名称: 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1
著者Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A.
登録日2019-12-13
公開日2020-06-10
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
7QO7
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BU of 7qo7 by Molmil
SARS-CoV-2 S Omicron Spike B.1.1.529
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D.
登録日2021-12-23
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion
Biorxiv, 2021
6TPF
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Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
分子名称: (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1
著者Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A.
登録日2019-12-13
公開日2020-06-10
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
3S4J
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Human FDPS Synthase in Complex with a Rigid Analog of Risedronate
分子名称: 6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M.
登録日2011-05-19
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Human FDPS Synthase in Complex with a Rigid Analog of Risedronate
To be Published
5L4Q
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Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor)
分子名称: 1,2-ETHANEDIOL, AP2-associated protein kinase 1, ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
著者Sorrell, F.J, Williams, E, Fox, N, Abdul Azeez, K.R, Gileadi, O, von Delft, F, Edwards, A.M, Bountra, C, Elkins, J.M, Knapp, S.
登録日2016-05-26
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.
J.Med.Chem., 2019
2WD1
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Human c-Met Kinase in complex with azaindole inhibitor
分子名称: 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE, GAMMA-BUTYROLACTONE, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者Porter, J, Lumb, S, Franklin, R.J, Gascon-Simorte, J.M, Calmiano, M, Le Riche, K, Lallemand, B, Keyaerts, J, Edwards, H, Maloney, A, Delgado, J, King, L, Foley, A, Lecomte, F, Reuberson, J, Meier, C, Batchelor, M.
登録日2009-03-19
公開日2009-04-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4-Azaindoles as Novel Inhibitors of C- met Kinase.
Bioorg.Med.Chem.Lett., 19, 2009

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