PDB: 20505 件ウェブページステータス検索Chemie searchBIRD

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4IBJ	Ebola virus VP35 bound to small molecule 分子名称: 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 著者 Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. 登録日 2012-12-08 公開日 2014-03-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
4IDS	Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis 分子名称: Delta-1-pyrroline-5-carboxylate dehydrogenase 著者 Lagautriere, T, Bashiri, G, Baker, E.N. 登録日 2012-12-13 公開日 2013-12-18 最終更新日 2014-04-16 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies. Acta Crystallogr.,Sect.D, 70, 2014
3O2M	Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118) 分子名称: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ... 著者 Abad-Zapatero, C. 登録日 2010-07-22 公開日 2011-01-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases. Acs Chem.Biol., 6, 2011
4IBI	Ebola virus VP35 bound to small molecule 分子名称: 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 著者 Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. 登録日 2012-12-08 公開日 2014-03-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.473 Å) 主引用文献 In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
3NWX	X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor 分子名称: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2010-07-12 公開日 2011-11-02 最終更新日 2019-07-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
8AZA	Structure of RIP2K dimer bound to the XIAP BIR2 domain 分子名称: E3 ubiquitin-protein ligase XIAP, Receptor-interacting serine/threonine-protein kinase 2, ZINC ION 著者 Pellegrini, E, Cusack, S. 登録日 2022-09-05 公開日 2022-10-26 最終更新日 2023-09-20 実験手法 ELECTRON MICROSCOPY (3.15 Å) 主引用文献 Structure shows that the BIR2 domain of E3 ligase XIAP binds across the RIPK2 kinase dimer interface. Life Sci Alliance, 6, 2023
4IBC	Ebola virus VP35 bound to small molecule 分子名称: DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid 著者 Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. 登録日 2012-12-08 公開日 2014-03-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.745 Å) 主引用文献 In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
4IDM	Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis 分子名称: Delta-1-pyrroline-5-carboxylate dehydrogenase 著者 Lagautriere, T, Bashiri, G, Baker, E.N. 登録日 2012-12-12 公開日 2013-12-18 最終更新日 2014-04-16 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies. Acta Crystallogr.,Sect.D, 70, 2014
3NXN	X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor 分子名称: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease covalent dimer 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2010-07-14 公開日 2011-11-02 最終更新日 2019-07-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3O9X	Structure of the E. coli antitoxin MqsA (YgiT/b3021) in complex with its gene promoter 分子名称: DNA (26-MER), GLYCEROL, Uncharacterized HTH-type transcriptional regulator ygiT, ... 著者 Brown, B.L, Peti, W, Page, R. 登録日 2010-08-04 公開日 2010-11-10 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.0999 Å) 主引用文献 Structure of the Escherichia coli Antitoxin MqsA (YgiT/b3021) Bound to Its Gene Promoter Reveals Extensive Domain Rearrangements and the Specificity of Transcriptional Regulation. J.Biol.Chem., 286, 2011
3NYG	X-ray structure of ester chemical analogue [O-Gly51,O-Gly51']HIV-1 protease complexed with MVT-101 inhibitor 分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2010-07-15 公開日 2011-11-02 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3O01	The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Deoxycholate 分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Cell invasion protein sipD, NICKEL (II) ION 著者 Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. 登録日 2010-07-18 公開日 2010-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
4IP1	C-terminal domain of the thiol:disulfide interchange protein DsbD, Q488K mutant 分子名称: Thiol:disulfide interchange protein DsbD 著者 Saridakis, E, Mavridou, D.A.I, Redfield, C. 登録日 2013-01-09 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 An Extended Active-site Motif Controls the Reactivity of the Thioredoxin Fold. J.Biol.Chem., 289, 2014
4IP6	C-terminal domain of the thiol:disulfide interchange protein DsbD, Q488A mutant 分子名称: Thiol:disulfide interchange protein DsbD 著者 Saridakis, E, Mavridou, D.A.I, Redfield, C. 登録日 2013-01-09 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 An Extended Active-site Motif Controls the Reactivity of the Thioredoxin Fold. J.Biol.Chem., 289, 2014
6VDG	Crystal Structure of the Y182A HisF Mutant from Thermotoga maritima 分子名称: Imidazole glycerol phosphate synthase subunit HisF, PHOSPHATE ION 著者 Almeida, V.M, Matsuyama, B.Y, Farah, C.S, Marana, S.R. 登録日 2019-12-27 公開日 2020-01-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Role of a high centrality residue in protein dynamics and thermal stability. J.Struct.Biol., 213, 2021
4J38	Structure of Borrelia burgdorferi Outer surface protein E in complex with Factor H domains 19-20 分子名称: Complement factor H, Outer surface protein E, SULFATE ION 著者 Bhattacharjee, A, Kolodziejczyk, R, Kajander, T, Goldman, A, Jokiranta, T.S. 登録日 2013-02-05 公開日 2013-05-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.83 Å) 主引用文献 Structural Basis for Complement Evasion by Lyme Disease Pathogen Borrelia burgdorferi J.Biol.Chem., 288, 2013
6UZ5	Solution structure of KTI55-Kringle 2 complex 分子名称: M protein, Plasminogen 著者 Qiu, C, Yuan, Y, Castellino, F.J. 登録日 2019-11-14 公開日 2020-12-09 実験手法 SOLUTION NMR 主引用文献 Structural evolution of the A-domain in plasminogen-binding Group A streptococcal M-protein reflects improved adaptability of the pathogen to the host To Be Published
8RZ6	SeMet derivative structure of the condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase 分子名称: FORMIC ACID, GLYCEROL, POTASSIUM ION, ... 著者 Karanth, M, Schmelz, S, Kirkpatrick, J, Krausze, J, Scrima, A, Carlomagno, T. 登録日 2024-02-12 公開日 2024-06-26 最終更新日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain. Sci Adv, 10, 2024
3OVU	Crystal Structure of Human Alpha-Haemoglobin Complexed with AHSP and the First NEAT Domain of IsdH from Staphylococcus aureus 分子名称: Alpha-hemoglobin-stabilizing protein, Hemoglobin subunit alpha, Iron-regulated surface determinant protein H, ... 著者 Jacques, D.A, Krishna Kumar, K, Caradoc-Davies, T.T, Langley, D.B, Mackay, J.P, Guss, J.M, Gell, D.A. 登録日 2010-09-17 公開日 2011-09-21 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.83 Å) 主引用文献 A new haem pocket structure in alpha-haemoglobin To be Published
6V6V	Crystal structure of oncogenic RhoA mutant G14V complexed with GDP 分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Lin, Y, Zheng, Y. 登録日 2019-12-06 公開日 2020-12-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
3OXU	Complement components factor H CCP19-20 and C3d in complex 分子名称: Complement C3, GLYCEROL, HF protein 著者 Morgan, H.P, Schmidt, C.Q, Guariento, M, Gillespie, D, Herbert, A.P, Mertens, H, Blaum, B.S, Svergun, D, Johansson, C.M, Uhrin, D, Barlow, P.N, Hannan, J.P. 登録日 2010-09-22 公開日 2011-02-16 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural basis for engagement by complement factor H of C3b on a self surface. Nat.Struct.Mol.Biol., 18, 2011
6VCT	Mucor circinelloides FKBP12 protein bound with APX879 in C2221 space group 分子名称: N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidylprolyl isomerase 著者 Gobeil, S, Spicer, L. 登録日 2019-12-23 公開日 2020-12-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs. Mbio, 12, 2021
8RJ9	E. coli adenylate kinase Asp84Ala variant in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis. 分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase 著者 Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. 登録日 2023-12-20 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Magnesium Induced Structural Preorganization in the Active Site of Adenylate Kinase. Sci Adv, 2024
8RJ4	E. coli adenylate kinase in complex with two ADP molecules and Mg2+ as a result of enzymatic AP4A hydrolysis 分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, CHLORIDE ION, ... 著者 Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. 登録日 2023-12-20 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Magnesium Induced Structural Preorganization in the Active Site of Adenylate Kinase. Sci Adv, 2024
8RJ6	E. coli adenylate kinase in complex with ATP and AMP and Mg2+ as a result of enzymatic AP4A hydrolysis. 分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. 登録日 2023-12-20 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Magnesium Induced Structural Preorganization in the Active Site of Adenylate Kinase. Sci Adv, 2024

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