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PDB: 45955 件

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
3HTB
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2-propylphenol in complex with T4 lysozyme L99A/M102Q
分子名称: 2-propylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ...
著者Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
登録日2009-06-11
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
1XCO
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Crystal Structure of a Phosphotransacetylase from Bacillus subtilis in complex with acetylphosphate
分子名称: ACETYLPHOSPHATE, Phosphate acetyltransferase, SULFATE ION
著者Xu, Q.S, Jancarik, J, Lou, Y, Yokota, H, Adams, P, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2004-09-02
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structures of a phosphotransacetylase from Bacillus subtilis and its complex with acetyl phosphate
J.STRUCT.FUNCT.GENOM., 6, 2005
1XDK
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Crystal Structure of the RARbeta/RXRalpha Ligand Binding Domain Heterodimer in Complex with 9-cis Retinoic Acid and a Fragment of the TRAP220 Coactivator
分子名称: (9cis)-retinoic acid, Retinoic acid receptor RXR-alpha, Retinoic acid receptor, ...
著者Pogenberg, V, Guichou, J.F, Vivat-Hannah, V, Kammerer, S, Perez, E, Germain, P, De Lera, A.R, Gronemeyer, H, Royer, C.A, Bourguet, W.
登録日2004-09-07
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CHARACTERIZATION OF THE INTERACTION BETWEEN RAR/RXR HETERODIMERS AND TRANSCRIPTIONAL COACTIVATORS THROUGH STRUCTURAL AND FLUORESCENCE ANISOTROPY STUDIES
J.Biol.Chem., 280, 2005
2K2U
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NMR Structure of the complex between Tfb1 subunit of TFIIH and the activation domain of VP16
分子名称: Alpha trans-inducing protein, RNA polymerase II transcription factor B subunit 1
著者Langlois, C, Mas, C, Di Lello, P, Miller Jenkins, P.M, Legault, J, Omichinski, J.G.
登録日2008-04-11
公開日2008-08-12
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR Structure of the Complex between the Tfb1 Subunit of TFIIH and the Activation Domain of VP16: Structural Similarities between VP16 and p53.
J.Am.Chem.Soc., 130, 2008
1K45
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The Solution Structure of the CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase.
分子名称: Xylanase
著者Simpson, P.J, Jamieson, S.J, Abou-Hachem, M, Nordberg-Karlsson, E, Gilbert, H.J, Holst, O, Williamson, M.P.
登録日2001-10-05
公開日2002-05-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of the CBM4-2 carbohydrate binding module from a thermostable Rhodothermus marinus xylanase.
Biochemistry, 41, 2002
2ZO5
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Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in a complex with azide
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, ...
著者Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O.
登録日2008-05-05
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High-resolution structural analysis of a novel octaheme cytochrome c nitrite reductase from the haloalkaliphilic bacterium Thioalkalivibrio nitratireducens
J.Mol.Biol., 389, 2009
4PSG
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Crystal Structure of C.elegans Thymidylate Synthase in complex with an inhibitor N(4)OHdCMP
分子名称: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase
著者Wilk, P, Jarmula, A, Rode, W.
登録日2014-03-07
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of C.elegans Thymidylate Synthase in complex with an inhibitor N(4)OHdCMP
To be Published
2EHA
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Crystal structure of goat lactoperoxidase complexed with formate anion at 3.3 A resolution
分子名称: 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Singh, A.K, Ethayathulla, A.S, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
登録日2007-03-06
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of goat lactoperoxidase complexed with formate anion at 3.3 A resolution
to be published
4N2A
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Crystal structure of Protein Arginine Deiminase 2 (5 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-04
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N2E
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Crystal structure of Protein Arginine Deiminase 2 (D123N, 10 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-04
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.858 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4GXN
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Diethylphosphonate Inhibited Structure of the Proteus mirabilis Lipase
分子名称: CALCIUM ION, DIETHYL PHOSPHONATE, Putative lipase, ...
著者Korman, T.P, Bowie, J.U.
登録日2012-09-04
公開日2013-02-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Proteus mirabilis Lipase, a Novel Lipase from the Proteus/Psychrophilic Subfamily of Lipase Family I.1.
Plos One, 7, 2012
3HT7
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2-ethylphenol in complex with T4 lysozyme L99A/M102Q
分子名称: 2-ethylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ...
著者Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
登録日2009-06-11
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
3HTF
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BU of 3htf by Molmil
4-chloro-1h-pyrazole in complex with T4 lysozyme L99A/M102Q
分子名称: 4-chloro-1H-pyrazole, BETA-MERCAPTOETHANOL, Lysozyme, ...
著者Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
登録日2009-06-11
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
4GY5
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BU of 4gy5 by Molmil
Crystal structure of the tandem tudor domain and plant homeodomain of UHRF1 with Histone H3K9me3
分子名称: E3 ubiquitin-protein ligase UHRF1, Peptide from Histone H3.3, ZINC ION
著者Cheng, J, Yang, Y, Fang, J, Xiao, J, Zhu, T, Chen, F, Wang, P, Xu, Y.
登録日2012-09-05
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.956 Å)
主引用文献Structural insight into coordinated recognition of trimethylated histone H3 lysine 9 (H3K9me3) by the plant homeodomain (PHD) and tandem tudor domain (TTD) of UHRF1 (ubiquitin-like, containing PHD and RING finger domains, 1) protein
J.Biol.Chem., 288, 2013
4REK
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BU of 4rek by Molmil
Crystal structure and charge density studies of cholesterol oxidase from Brevibacterium sterolicum at 0.74 ultra-high resolution
分子名称: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
著者Zarychta, B, Lyubimov, A, Ahmed, M, Munshi, P, Guillot, B, Vrielink, A.
登録日2014-09-23
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.74 Å)
主引用文献Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis.
Acta Crystallogr.,Sect.D, 71, 2015
5O7Y
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Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with succinate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ...
著者Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T.
登録日2017-06-10
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.
J. Struct. Biol., 202, 2018
6ZYY
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Outer Dynein Arm-Shulin complex - Dyh3 motor region (Tetrahymena thermophila)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
著者Mali, G.R, Abid Ali, F, Lau, C.K, Begum, F, Boulanger, J, Howe, J.D, Chen, Z.A, Rappsilber, J, Skehel, M, Carter, A.P.
登録日2020-08-03
公開日2021-02-03
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Shulin packages axonemal outer dynein arms for ciliary targeting.
Science, 371, 2021
5OA0
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Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, W164F)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, STRYCHNINE, ...
著者Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P.
登録日2017-06-20
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
5OAN
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Crystal structure of mutant AChBP in complex with glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG)
分子名称: ACETATE ION, CHLORIDE ION, GLYCINE, ...
著者Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P.
登録日2017-06-23
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
4NB1
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Crystal Structure of FosB from Staphylococcus aureus at 1.80 Angstrom Resolution with L-Cysteine-Cys9 Disulfide
分子名称: CYSTEINE, Metallothiol transferase FosB, SULFATE ION
著者Cook, P.D, Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Armstrong, R.N.
登録日2013-10-22
公開日2014-02-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus.
Biochemistry, 53, 2014
2EF6
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Canavalia gladiata lectin complexed with Man1-3Man-OMe
分子名称: CALCIUM ION, Concanavalin A, MANGANESE (II) ION, ...
著者Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, de Souza, E.P, da Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F.
登録日2007-02-21
公開日2007-10-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins
J.Struct.Biol., 160, 2007
7AAY
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Crystal structure of MerTK kinase domain in complex with Merestinib
分子名称: CHLORIDE ION, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase Mer
著者Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
4ENQ
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Structure of E530D variant E. coli KatE
分子名称: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII
著者Loewen, P.C, Jha, V.
登録日2012-04-13
公開日2012-05-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Influence of main channel structure on H(2)O(2) access to the heme cavity of catalase KatE of Escherichia coli.
Arch.Biochem.Biophys., 526, 2012
7AB2
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Crystal structure of MerTK kinase domain in complex with UNC2025
分子名称: 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020

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