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2NNQ
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Crystal structure of human adipocyte fatty acid binding protein in complex with ((2'-(5-ethyl-3,4-diphenyl-1H-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid
分子名称: ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID, Fatty acid-binding protein, adipocyte, ...
著者Jacobson, B.L.
登録日2006-10-24
公開日2007-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP).
Bioorg.Med.Chem.Lett., 17, 2007
2NAB
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Nizp1-C2HR zinc finger structure
分子名称: ZINC ION, Zinc finger protein 496
著者Berardi, A, Quilici, G, Spiliotopoulos, D, Corral-Rodriguez, M, Martin, F, Degano, M, Tonon, G, Musco, G.
登録日2015-12-22
公開日2016-03-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016
2NA2
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DROSHA QUAD MUTANT DOUBLE-STRANDED RNA BINDING COMPETENT
分子名称: Ribonuclease 3
著者Showalter, S.A, Sahu, D, Kranick, J.C.
登録日2015-12-17
公開日2016-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Towards understanding Drosha dsRBDs role in Microprocessing
To be Published
2IWI
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CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1
分子名称: RUTHENIUM-PYRIDOCARBAZOLE-1, SERINE/THREONINE-PROTEIN KINASE PIM-2
著者Russo, S, Debreczeni, J.E, Amos, A, Bullock, A.N, Fedorov, O, Niesen, F, Sobott, F, Turnbull, A, Pike, A.C.W, Ugochukwu, E, Papagrigoriou, E, Bunkoczi, G, Gorrec, F, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, von Delft, F, Knapp, S.
登録日2006-06-30
公開日2006-08-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor.
PLoS ONE, 4, 2009
2J0D
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Crystal structure of human P450 3A4 in complex with erythromycin
分子名称: CYTOCHROME P450 3A4, ERYTHROMYCIN A, PROTOPORPHYRIN IX CONTAINING FE
著者Sjogren, T, Ekroos, M.
登録日2006-08-02
公開日2006-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
2J2I
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Crystal Structure of the humab PIM1 in complex with LY333531
分子名称: (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION
著者Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S.
登録日2006-08-16
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
2NNB
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The Q403K mutant heme domain of flavocytochrome P450 BM3
分子名称: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Clark, J.P, Anderson, J.L.R, Miles, C.S, Mowat, C.G, Reid, G.A, Chapman, S.K.
登録日2006-10-24
公開日2007-09-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Q403K mutant heme domain of flavocytochrome P450 BM3
To be published
2J51
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Crystal structure of Human STE20-like kinase bound to 5-Amino-3-((4-(aminosulfonyl)phenyl)amino) -N-(2,6-difluorophenyl)-1H-1,2,4-triazole- 1-carbothioamide
分子名称: 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE, ...
著者Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, Debreczeni, J.E, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S.
登録日2006-09-08
公開日2006-10-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
4J71
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Crystal Structure of GSK3b in complex with inhibitor 1R
分子名称: (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ...
著者Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-02-12
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
2NNE
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The Structural Identification of the Interaction Site and Functional State of RBP for its Membrane Receptor
分子名称: CADMIUM ION, GLYCEROL, Major urinary protein 2
著者Redondo, C, Bingham, R.J, Vouropoulou, M, Homans, S.W, Findlay, J.B.
登録日2006-10-24
公開日2007-10-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of the retinol-binding protein (RBP) interaction site and functional state of RBPs for the membrane receptor.
Faseb J., 22, 2008
2J1L
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BU of 2j1l by Molmil
Crystal Structure of Human Rho-related GTP-binding protein RhoD
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RHO-RELATED GTP-BINDING PROTEIN RHOD
著者Pike, A.C.W, Johansson, C, Gileadi, C, Niesen, F.H, Sobott, F, Schoch, G, Elkins, J, Smee, C, Gorrec, F, Watt, S, Bray, J, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.
登録日2006-08-14
公開日2006-09-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of Human Rho-Related GTP-Binding Protein Rhod
To be Published
2NPH
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Crystal structure of HIV1 protease in situ product complex
分子名称: PROTEASE RETROPEPSIN, pentapeptide fragment, tetrapeptide fragment
著者Hosur, M.V, Das, A, Prashar, V.
登録日2006-10-27
公開日2006-12-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of HIV-1 protease in situ product complex and observation of a low-barrier hydrogen bond between catalytic aspartates
Proc.Natl.Acad.Sci.Usa, 103, 2006
2NNX
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Crystal Structure of the H46R, H48Q double mutant of human [Cu-Zn] Superoxide Dismutase
分子名称: SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION
著者Schuermann, J.P, Hart, P.J.
登録日2006-10-24
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Disease-associated mutations at copper ligand histidine residues of superoxide dismutase 1 diminish the binding of copper and compromise dimer stability
J.Biol.Chem., 282, 2007
4JBP
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Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules
分子名称: 1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Aurora Kinase A
著者Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y.
登録日2013-02-20
公開日2013-06-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013
2NPQ
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A Novel Lipid Binding Site in the p38 alpha MAP Kinase
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Diskin, R, Engelberg, D, Livnah, O.
登録日2006-10-29
公開日2007-10-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel lipid binding site formed by the MAP kinase insert in p38 alpha.
J.Mol.Biol., 375, 2008
4JG7
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BU of 4jg7 by Molmil
Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyanoacrylamide
分子名称: (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
著者Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J.
登録日2013-02-28
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.0002 Å)
主引用文献Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
2GHL
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Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743
分子名称: 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Brugel, T.A.
登録日2006-03-27
公開日2006-04-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.
Bioorg.Med.Chem.Lett., 16, 2006
2FRZ
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BU of 2frz by Molmil
Crystal Structure of Cytochrome P450cam mutant (F87W/Y96F/V247L/C334A)
分子名称: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Rao, Z, Wong, L.L, Xu, F, Bell, S.G.
登録日2006-01-20
公開日2007-01-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pentachlorobenzene oxidation by engineered cytochrome P450cam: Substrate binding and the mechanism of aromatic C-H bond oxidation
To be Published
2G01
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Pyrazoloquinolones as Novel, Selective JNK1 inhibitors
分子名称: 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE, C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, ...
著者Abad-Zapatero, C.
登録日2006-02-10
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2G0V
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Photolyzed CO L29F Myoglobin: 100ps
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N.
登録日2006-02-13
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
2P33
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Synthesis and SAR of Aminopyrimidines as Novel c-Jun N-Terminal Kinase (JNK) Inhibitors
分子名称: 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide, c-Jun N-terminal kinase 3
著者Ceska, T.A, Platt, A, Fortunato, M, Dickson, K.M, Sharpe, A.
登録日2007-03-08
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
2G20
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Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
分子名称: N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE, Renin
著者Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
登録日2006-02-15
公開日2006-06-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ketopiperazine-based renin inhibitors: optimization of the
Bioorg.Med.Chem.Lett., 16, 2006
2P46
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Complex of a camelid single-domain vhh antibody fragment with RNASE A at 2.5A resolution: se5b-ortho-2 crystal form with five se-met sites (L4M, M34, M51, F68M, M83) in vhh scaffold.
分子名称: ANTIBODY CAB-RN05, Ribonuclease pancreatic, ZINC ION
著者Tereshko, V, Uysal, S, Koide, A, Margalef, K, Koide, S, Kossiakoff, A.A.
登録日2007-03-11
公開日2008-03-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Toward chaperone-assisted crystallography: protein engineering enhancement of crystal packing and X-ray phasing capabilities of a camelid single-domain antibody (VHH) scaffold
Protein Sci., 17, 2008
2OW3
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Glycogen synthase kinase-3 beta in complex with bis-(indole)maleimide pyridinophane inhibitor
分子名称: BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE, Glycogen synthase kinase-3 beta
著者Zhang, H.C, Bonaga, L.V, Ye, H, Derian, C.K, Damiano, B.P, Maryanoff, B.E.
登録日2007-02-15
公開日2008-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel bis(indolyl)maleimide pyridinophanes that are potent, selective inhibitors of glycogen synthase kinase-3.
Bioorg.Med.Chem.Lett., 17, 2007
2G3Y
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Crystal structure of the human small GTPase GEM
分子名称: GTP-binding protein GEM, GUANOSINE-5'-DIPHOSPHATE
著者Ugochukwu, E, Soundararajan, M, Elkins, J, Gileadi, C, Schoch, G, Sobott, F, Fedorov, O, Bray, J, Pantic, N, Berridge, G, Burgess, N, Lee, W.H, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-02-21
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the human small GTPase GEM
To be Published

223532

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