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5W3U
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Crystal structure of SsoPox AsB5 mutant (V27A-I76T-Y97W-Y99F-L130P-L226V)
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M.
登録日2017-06-08
公開日2017-12-20
最終更新日2021-08-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
4I1B
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FUNCTIONAL IMPLICATIONS OF INTERLEUKIN-1BETA BASED ON THE THREE-DIMENSIONAL STRUCTURE
分子名称: INTERLEUKIN-1 BETA
著者Veerapandian, B, Poulos, T.L, Gilliland, G.L, Raag, R, Svensson, L.A, Masui, Y, Hirai, Y.
登録日1990-03-27
公開日1990-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional implications of interleukin-1 beta based on the three-dimensional structure.
Proteins, 12, 1992
4IBA
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Bovine beta-lactoglobulin (isoform B) in complex with dodecyl sulphate (SDS)
分子名称: DODECYL SULFATE, GLYCEROL, beta-lactoglobulin
著者Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K.
登録日2012-12-08
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
4IB7
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Bovine beta-lactoglobulin (isoform A) in complex with dodecyltrimethylammonium (DTAC)
分子名称: DODECANE-TRIMETHYLAMINE, beta-lactoglobulin
著者Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K.
登録日2012-12-08
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
1V4K
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BU of 1v4k by Molmil
Crystal Structure of Octaprenyl Pyrophosphate Synthase from Hyperthermophilic Thermotoga maritima S77F mutant
分子名称: SULFATE ION, octoprenyl-diphosphate synthase
著者Guo, R.T, Kuo, C.J, Chou, C.C, Ko, T.P, Shr, H.L, Liang, P.H, Wang, A.H.-J.
登録日2003-11-14
公開日2004-03-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Octaprenyl Pyrophosphate Synthase from Hyperthermophilic Thermotoga maritima and Mechanism of Product Chain Length Determination
J.Biol.Chem., 279, 2004
4LWE
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BU of 4lwe by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2
分子名称: Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
1P8J
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BU of 1p8j by Molmil
CRYSTAL STRUCTURE OF THE PROPROTEIN CONVERTASE FURIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE INHIBITOR, ...
著者Henrich, S, Cameron, A, Bourenkov, G.P, Kiefersauer, R, Huber, R, Lindberg, I, Bode, W, Than, M.E.
登録日2003-05-07
公開日2003-07-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Crystal Structure of the Proprotein Processing Proteinase Furin Explains its Stringent Specificity
Nat.Struct.Biol., 10, 2003
4OGX
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Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution
分子名称: DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ...
著者Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
登録日2014-01-16
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
4BCI
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BU of 4bci by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-01-09
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCH
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Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ...
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-01-09
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2.958 Å)
主引用文献Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4I72
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BU of 4i72 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with Immucillin A
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R, CALCIUM ION, ...
著者Giannese, F, Degano, M.
登録日2012-11-30
公開日2013-08-07
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
4BCK
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BU of 4bck by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-03-06
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
1DFW
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BU of 1dfw by Molmil
CONFORMATIONAL MAPPING OF THE N-TERMINAL SEGMENT OF SURFACTANT PROTEIN B IN LIPID USING 13C-ENHANCED FOURIER TRANSFORM INFRARED SPECTROSCOPY (FTIR)
分子名称: LUNG SURFACTANT PROTEIN B
著者Gordon, L.M, Lee, K.Y.C, Lipp, M.M, Zasadzinski, J.A, Walther, F.J, Sherman, M.A, Waring, A.J.
登録日1999-11-22
公開日1999-12-10
最終更新日2024-02-07
実験手法INFRARED SPECTROSCOPY
主引用文献Conformational mapping of the N-terminal segment of surfactant protein B in lipid using 13C-enhanced Fourier transform infrared spectroscopy.
J.Pept.Res., 55, 2000
1JNJ
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BU of 1jnj by Molmil
NMR solution structure of the human beta2-microglobulin
分子名称: beta2-microglobulin
著者Verdone, G, Corazza, A, Viglino, P, Pettirossi, F, Giorgetti, S, Mangione, P, Andreola, A, Stoppini, M, Bellotti, V, Esposito, G.
登録日2001-07-24
公開日2002-02-27
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献The solution structure of human beta2-microglobulin reveals the prodromes of its amyloid transition.
Protein Sci., 11, 2002
4BCJ
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BU of 4bcj by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-01-09
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (3.162 Å)
主引用文献Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
1P6C
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BU of 1p6c by Molmil
crystal structure of phosphotriesterase triple mutant H254G/H257W/L303T complexed with diisopropylmethylphosphonate
分子名称: DIETHYL 4-METHYLBENZYLPHOSPHONATE, METHYLPHOSPHONIC ACID DIISOPROPYL ESTER, Parathion hydrolase, ...
著者Hill, C.M, Li, W, Thoden, J.B, Holden, H.M, Raushel, F.M.
登録日2003-04-29
公開日2003-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site.
J.Am.Chem.Soc., 125, 2003
1W2I
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BU of 1w2i by Molmil
Crystal structuore of acylphosphatase from Pyrococcus horikoshii complexed with formate
分子名称: ACYLPHOSPHATASE, FORMIC ACID
著者Cheung, Y.Y, Lam, S.Y, Chu, W.K, Allen, M.D, Bycroft, M, Wong, K.B.
登録日2004-07-06
公開日2004-08-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of a Hyperthermophilic Archaeal Acylphosphatase from Pyrococcus Horikoshii-Structural Insights Into Enzymatic Catalysis, Thermostability, and Dimerization
Biochemistry, 44, 2005
4IB6
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BU of 4ib6 by Molmil
Bovine beta-lactoglobulin (isoform A) in complex with lauric acid (C12)
分子名称: Beta-lactoglobulin, LAURIC ACID
著者Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K.
登録日2012-12-08
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
1P63
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BU of 1p63 by Molmil
Human Acidic Fibroblast Growth Factor. 140 Amino Acid Form with Amino Terminal His Tag and Leu111 Replaced with Ile (L111I)
分子名称: ACIDIC FIBROBLAST GROWTH FACTOR, FORMIC ACID, SULFATE ION
著者Brych, S.R, Kim, J, Logan, T.M, Blaber, M.
登録日2003-04-28
公開日2004-05-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Accommodation of a highly symmetric core within a symmetric protein superfold
Protein Sci., 12, 2003
1PV4
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X-ray crystal structure of the Rho transcription termination factor in complex with single stranded DNA
分子名称: 5'-D(P*CP*C)-3', Transcription termination factor rho
著者Skordalakes, E, Berger, J.M.
登録日2003-06-26
公開日2003-07-22
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Rho transcription terminator: mechanism of mRNA recognition and helicase loading
Cell(Cambridge,Mass.), 114, 2003
1PYN
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DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE
分子名称: 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Zhonghua, P, Lubben, T, Trevillyan, J.M, Stashko, M, Ballaron, S.J, Liang, H.
登録日2003-07-09
公開日2003-09-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
Bioorg.Med.Chem.Lett., 13, 2003
1PVO
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BU of 1pvo by Molmil
X-ray crystal structure of Rho transcription termination factor in complex with ssRNA substrate and ANPPNP
分子名称: 5'-R(P*UP*C)-3', PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transcription termination factor rho
著者Skordalakes, E, Berger, J.M.
登録日2003-06-27
公開日2003-07-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Rho transcription terminator: mechanism of mRNA recognition and helicase loading
Cell(Cambridge,Mass.), 114, 2003
5VRI
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BU of 5vri by Molmil
Crystal structure of SsoPox AsA6 mutant (F46L-C258A-W263M-I280T) - closed form
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M.
登録日2017-05-10
公開日2017-12-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
1UT4
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Structure of the conserved domain of ANAC, a member of the NAC family of transcription factors
分子名称: NO APICAL MERISTEM PROTEIN
著者Ernst, H.A, Olsen, A.N, Skriver, K, Larsen, S, Lo Leggio, L.
登録日2003-12-03
公開日2004-03-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Conserved Domain of Anac, a Member of the Nac Family of Transcription Factors
Embo Rep., 5, 2004
1PRC
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CRYSTALLOGRAPHIC REFINEMENT AT 2.3 ANGSTROMS RESOLUTION AND REFINED MODEL OF THE PHOTOSYNTHETIC REACTION CENTER FROM RHODOPSEUDOMONAS VIRIDIS
分子名称: 15-trans-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Deisenhofer, J, Epp, O, Miki, K, Huber, R, Michel, H.
登録日1988-02-04
公開日1989-01-09
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic refinement at 2.3 A resolution and refined model of the photosynthetic reaction centre from Rhodopseudomonas viridis.
J.Mol.Biol., 246, 1995

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