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7YZR
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BU of 7yzr by Molmil
50 mM Rb+ soak of beryllium fluoride inhibited Na+,K+-ATPase, E2-BeFx (rigid body model)
分子名称: BERYLLIUM TRIFLUORIDE ION, FXYD domain-containing ion transport regulator, MAGNESIUM ION, ...
著者Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shasavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P.
登録日2022-02-21
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (6.92 Å)
主引用文献The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
3RNJ
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BU of 3rnj by Molmil
Crystal structure of the SH3 domain from IRSp53 (BAIAP2)
分子名称: 1,2-ETHANEDIOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, ISOPROPYL ALCOHOL, ...
著者Simister, P.C, Barilari, M, Muniz, J.R.C, Dente, L, Knapp, S, von Delft, F, Filippakopoulos, P, Vollmar, M, Chaikuad, A, Raynor, J, Tregubova, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
登録日2011-04-22
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the SH3 domain from IRSp53 (BAIAP2)
To be Published
7Z04
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BU of 7z04 by Molmil
10 mM Rb+ soak of beryllium fluoride inhibited Na+,K+-ATPase, E2-BeFx (rigid body model)
分子名称: BERYLLIUM TRIFLUORIDE ION, FXYD domain-containing ion transport regulator, MAGNESIUM ION, ...
著者Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shasavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P.
登録日2022-02-22
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (7.5 Å)
主引用文献The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
2LF6
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BU of 2lf6 by Molmil
Solution NMR structure of HopABPph1448_220_320 from Pseudomonas syringae pv. phaseolicola str. 1448A, Midwest Center for Structural Genomics target APC40132.4 and Northeast Structural Genomics Consortium target PsT3A
分子名称: Effector protein hopAB1
著者Wu, B, Yee, A, Houliston, S, Semesi, A, Garcia, M, Singer, A.U, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP)
登録日2011-06-28
公開日2011-07-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Analysis of HopPmaL Reveals the Presence of a Second Adaptor Domain Common to the HopAB Family of Pseudomonas syringae Type III Effectors.
Biochemistry, 51, 2012
1BG4
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BU of 1bg4 by Molmil
XYLANASE FROM PENICILLIUM SIMPLICISSIMUM
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA-XYLANASE, GLYCEROL, ...
著者Schmidt, A, Kratky, C.
登録日1998-06-05
公開日1998-08-12
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of the xylanase from Penicillium simplicissimum.
Protein Sci., 7, 1998
3PP9
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BU of 3pp9 by Molmil
1.6 Angstrom resolution crystal structure of putative streptothricin acetyltransferase from Bacillus anthracis str. Ames in complex with acetyl coenzyme A
分子名称: ACETYL COENZYME *A, PHOSPHATE ION, POTASSIUM ION, ...
著者Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Edwards, A, Savchenko, A, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-11-24
公開日2011-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.6 Angstrom resolution crystal structure of putative streptothricin acetyltransferase from Bacillus anthracis str. Ames in complex with acetyl coenzyme A
To be Published
4N5U
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BU of 4n5u by Molmil
Crystal structure of the 4th FN3 domain of human Protein Tyrosine phosphatase, receptor type F [PSI-NYSGRC-006240]
分子名称: Receptor-type tyrosine-protein phosphatase F, SULFATE ION
著者Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
登録日2013-10-10
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.456 Å)
主引用文献Crystal structure of the 4th FN3 domain of human PTP, receptor F [PSI-NYSGRC-006240]
to be published
3LIV
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BU of 3liv by Molmil
crystal structure of HTLV protease complexed with the inhibitor KNI-10683
分子名称: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, Protease
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3PUE
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BU of 3pue by Molmil
Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.6A resolution
分子名称: Dihydrodipicolinate synthase, GLYCEROL, LYSINE, ...
著者Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2010-12-04
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.6A resolution
To be Published
1V6L
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BU of 1v6l by Molmil
Peanut lectin-lactose complex in the presence of 9mer peptide (PVIWSSATG)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-01
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
3LMN
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BU of 3lmn by Molmil
Oligomeric structure of the DUSP domain of human USP15
分子名称: ACETIC ACID, FORMIC ACID, Ubiquitin carboxyl-terminal hydrolase 15
著者Walker, J.R, Asinas, A, Avvakumov, G.V, Alenkin, D, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S.
登録日2010-01-31
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of the Human Ubiquitin-Specific Protease 15 DUSP Domain
To be Published
3PY8
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BU of 3py8 by Molmil
Crystal structure of a mutant of the large fragment of DNA polymerase I from thermus aquaticus in a closed ternary complex with DNA and ddCTP
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*A*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ...
著者Schnur, A, Marx, A, Welte, W, Diederichs, K.
登録日2010-12-12
公開日2011-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Learning from Directed Evolution: Thermus aquaticus DNA Polymerase Mutants with Translesion Synthesis Activity.
Chembiochem, 12, 2011
4E3Q
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BU of 4e3q by Molmil
PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ...
著者Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W.
登録日2012-03-10
公開日2012-10-10
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
3PY9
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BU of 3py9 by Molmil
X-ray structural studies of the entire extra-cellular region of the Ser/Thr kinase PrkC from Staphylococcus aureus
分子名称: EUROPIUM ION, Protein kinase
著者Ruggiero, A, Squeglia, F, Marasco, D, Marchetti, R, Molinaro, A, Berisio, R.
登録日2010-12-12
公開日2011-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray structural studies of the entire extracellular region of the serine/threonine kinase PrkC from Staphylococcus aureus.
Biochem.J., 435, 2011
4NHQ
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BU of 4nhq by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (5 days)
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
登録日2013-11-05
公開日2014-09-17
最終更新日2015-06-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
1XYE
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BU of 1xye by Molmil
T-to-THigh Transitions in Human Hemoglobin: alpha Y42A deoxy low salt
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M.
登録日2004-11-09
公開日2004-11-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin
Biochemistry, 44, 2005
3LTM
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BU of 3ltm by Molmil
Structure of a new family of artificial alpha helicoidal repeat proteins (alpha-Rep) based on thermostable HEAT-like repeats
分子名称: Alpha-Rep4, DODECAETHYLENE GLYCOL, GLYCEROL, ...
著者Urvoas, A, Guellouz, A, Graille, M, van Tilbeurgh, H, Desmadril, M, Minard, P.
登録日2010-02-16
公開日2010-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design, production and molecular structure of a new family of artificial alpha-helicoidal repeat proteins ( alpha Rep) based on thermostable HEAT-like repeats
J.Mol.Biol., 404, 2010
1XZ2
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BU of 1xz2 by Molmil
wild-type hemoglobin deoxy no-salt
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M.
登録日2004-11-11
公開日2004-11-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin
Biochemistry, 44, 2005
3L6R
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BU of 3l6r by Molmil
The structure of mammalian serine racemase: Evidence for conformational changes upon inhibitor binding
分子名称: MALONATE ION, MANGANESE (II) ION, Serine racemase
著者Smith, M.A, Mack, V, Ebneth, A, Cesura, A, Felicetti, B, Barker, J.
登録日2009-12-24
公開日2010-01-26
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding.
J.Biol.Chem., 285, 2010
4CFU
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BU of 4cfu by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
3LAC
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BU of 3lac by Molmil
Crystal structure of Bacillus anthracis pyrrolidone-carboxylate peptidase, pcP
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Pyrrolidone-carboxylate peptidase
著者Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-01-06
公開日2010-01-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Bacillus anthracis pyrrolidone-carboxylate peptidase, pcP
To be Published
4CFV
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Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
3PIX
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BU of 3pix by Molmil
Crystal structure of BTK kinase domain complexed with 2-Isopropyl-7-(4-methyl-piperazin-1-yl)-4-(5-methyl-2H-pyrazol-3-ylamino)-2H-phthalazin-1-one
分子名称: 7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PJ2
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Crystal structure of BTK kinase domain complexed with 2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(4-fluoro-phenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
1G0V
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THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT, MVV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEASE A INHIBITOR 3, PROTEINASE A, ...
著者Phylip, L.H, Lees, W, Brownsey, B.G, Bur, D, Dunn, B.M, Winther, J, Gustchina, A, Li, M, Copeland, T, Wlodawer, A, Kay, J.
登録日2000-10-09
公開日2001-04-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The potency and specificity of the interaction between the IA3 inhibitor and its target aspartic proteinase from Saccharomyces cerevisiae.
J.Biol.Chem., 276, 2001

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