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PDB: 88608 件

5K75
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IRAK4 in complex with Compound 1
分子名称: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine
著者Ferguson, A.D.
登録日2016-05-25
公開日2017-12-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
6P7M
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Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (1:2 complex)
分子名称: Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ...
著者Knott, G.J, Liu, J.J, Doudna, J.A.
登録日2019-06-06
公開日2019-08-21
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a.
Elife, 8, 2019
7ZXV
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Orange Carotenoid Protein Trp-288 BTA mutant
分子名称: CHLORIDE ION, Orange carotenoid-binding protein, beta,beta-caroten-4-one, ...
著者Moldenhauer, M, Tseng, H.-W, Kraskov, A, Tavraz, N.N, Hildebrandt, P, Hochberg, G, Essen, L.-O, Budisa, N, Korf, L, Maksimov, E.G, Friedrich, T.
登録日2022-05-23
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Parameterization of a single H-bond in Orange Carotenoid Protein by atomic mutation reveals principles of evolutionary design of complex chemical photosystems.
Front Mol Biosci, 10, 2023
4IKN
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Crystal structure of adaptor protein complex 3 (AP-3) mu3A subunit C-terminal domain, in complex with a sorting peptide from TGN38
分子名称: AP-3 complex subunit mu-1, Trans-Golgi network integral membrane protein TGN38
著者Mardones, G.A, Kloer, D.P, Burgos, P.V, Bonifacino, J.S, Hurley, J.H.
登録日2012-12-26
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Structural basis for the recognition of tyrosine-based sorting signals by the mu 3A subunit of the AP-3 adaptor complex.
J.Biol.Chem., 288, 2013
5UQI
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E. coli CFT073 c3406 in complex with A5P
分子名称: ARABINOSE-5-PHOSPHATE, Phosphosugar isomerase
著者Cech, D.L, Pratt, A.C, Woodard, R.W.
登録日2017-02-08
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Insights into the mechanism of arabinose-5-phosphate isomerases.
To Be Published
2HYR
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Crystal structure of a complex of griffithsin with maltose
分子名称: 1,2-ETHANEDIOL, Griffithsin, MAGNESIUM ION, ...
著者Ziolkowska, N.E, Wlodawer, A.
登録日2006-08-07
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystallographic, thermodynamic, and molecular modeling studies of the mode of binding of oligosaccharides to the potent antiviral protein griffithsin.
Proteins, 67, 2007
2HZ8
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QM/MM structure refined from NMR-structure of a single chain diiron protein
分子名称: De novo designed diiron protein, ZINC ION
著者Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F.
登録日2006-08-08
公開日2007-07-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
Structure, 16, 2008
1SYI
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BU of 1syi by Molmil
X-RAY STRUCTURE OF THE Y702F MUTANT OF THE GLUR2 LIGAND-BINDING CORE (S1S2J) IN COMPLEX WITH (S)-CPW399 AT 2.1 A RESOLUTION.
分子名称: (S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID, Glutamate receptor 2
著者Frandsen, A, Pickering, D.S, Vestergaard, B, Kasper, C, Nielsen, B.B, Greenwood, J.R, Campiani, G, Gajhede, M, Schousboe, A, Kastrup, J.S.
登録日2004-04-01
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005
2I6S
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Complement component C2a
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C2a fragment, ...
著者Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P.
登録日2006-08-29
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of complement component c2a: implications for convertase formation and substrate binding.
Structure, 14, 2006
4INJ
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Crystal structure of the S111A mutant of member of MccF clade from Listeria monocytogenes EGD-e with product
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Lmo1638 protein, ...
著者Nocek, B, Tikhonov, A, Severinov, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-01-04
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the S111A mutant of member of MccF clade from Listeria monocytogenes EGD-e with product
To be Published
6W3V
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Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-phenylalanine
分子名称: CHLORIDE ION, Methyl-accepting chemotaxis protein, PHENYLALANINE, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
3ZKC
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BU of 3zkc by Molmil
Crystal structure of the master regulator for biofilm formation SinR in complex with DNA.
分子名称: 5'-D(*AP*AP*AP*GP*TP*TP*CP*TP*CP*TP*TP*TP*AP*GP *AP*GP*AP*AP*CP*AP*AP)-3', 5'-D(*AP*TP*TP*GP*TP*TP*CP*TP*CP*TP*AP*AP*AP*GP *AP*GP*AP*AP*CP*TP*TP)-3', HTH-TYPE TRANSCRIPTIONAL REGULATOR SINR
著者Newman, J.A, Rodrigues, C, Lewis, R.J.
登録日2013-01-22
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular Basis of the Activity of Sinr, the Master Regulator of Biofilm Formation in Bacillus Subtilis.
J.Biol.Chem., 288, 2013
1T8N
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CRYSTAL STRUCTURE OF THE P1 THR BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
分子名称: Chymotrypsin A, Pancreatic trypsin inhibitor, SULFATE ION
著者Czapinska, H, Helland, R, Otlewski, J, Smalas, A.O.
登録日2004-05-13
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of five bovine chymotrypsin complexes with P1 BPTI variants.
J.Mol.Biol., 344, 2004
6W79
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Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent inhibitor X77
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Main protease, ...
著者Mesecar, A.D, StJohn, S, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-18
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
4IL2
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BU of 4il2 by Molmil
Crystal structure of D-mannonate dehydratase (rspA) from E. coli CFT073 (EFI TARGET EFI-501585)
分子名称: MAGNESIUM ION, Starvation sensing protein rspA
著者Lukk, T, Wichelecki, D, Imker, H.J, Gerlt, J.A, Nair, S.K.
登録日2012-12-28
公開日2013-02-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mannonate degradation pathway in E. coli CFT073
To be Published
2IBW
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BU of 2ibw by Molmil
Crystallographic and kinetic studies of human mitochondrial acetoacetyl-CoA thiolase (T2): the importance of potassium and chloride for its structure and function
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl-CoA acetyltransferase, CHLORIDE ION, ...
著者Haapalainen, A.M, Wierenga, R.K.
登録日2006-09-12
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic and Kinetic Studies of Human Mitochondrial Acetoacetyl-CoA Thiolase: The Importance of Potassium and Chloride Ions for Its Structure and Function
Biochemistry, 46, 2007
7T1V
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Crystal structure of an equine H7 hemagglutinin from A/equine/NY/49/73 (H7N7) in complex with 3'-GcLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Zhu, X, Wilson, I.A.
登録日2021-12-02
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献N -Glycolylneuraminic Acid Binding of Avian and Equine H7 Influenza A Viruses.
J.Virol., 96, 2022
1JHC
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LEXA S119A C-TERMINAL TRYPTIC FRAGMENT
分子名称: LEXA REPRESSOR
著者Luo, Y, Pfuetzner, R.A, Mosimann, S, Little, J.W, Strynadka, N.C.J.
登録日2001-06-27
公開日2001-09-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of LexA: a conformational switch for regulation of self-cleavage.
Cell(Cambridge,Mass.), 106, 2001
6PBV
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Crystal structure of Fab668 complex
分子名称: 1,2-ETHANEDIOL, Fab668 heavy chain, Fab668 light chain, ...
著者Oyen, D, Wilson, I.A.
登録日2019-06-14
公開日2020-03-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.566 Å)
主引用文献Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein.
Plos Pathog., 16, 2020
4IBX
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Crystal structure of stabilized TEM-1 beta-lactamase variant v.13
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, CALCIUM ION, ...
著者Dellus-Gur, E, Toth-Petroczy, A, Elias, M, Tawfik, D.S.
登録日2012-12-09
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献What Makes a Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-offs.
J.Mol.Biol., 425, 2013
5JX9
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Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 5 min)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase
著者Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
登録日2016-05-12
公開日2017-06-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
5JXZ
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A low magnesium structure of the isochorismate synthase, EntC
分子名称: (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, ...
著者Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L.
登録日2016-05-13
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
1JLV
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Anopheles dirus species B glutathione S-transferases 1-3
分子名称: GLUTATHIONE, glutathione transferase GST1-3
著者Oakley, A.J, Harnnoi, T, Udomsinprasert, R, Jirajaroenrat, K, Ketterman, A.J, Wilce, M.C.
登録日2001-07-16
公開日2002-07-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The crystal structures of glutathione S-transferases isozymes 1-3 and 1-4 from Anopheles dirus species B.
Protein Sci., 10, 2001
1JHE
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LEXA L89P Q92W E152A K156A MUTANT
分子名称: LEXA REPRESSOR
著者Luo, Y, Pfuetzner, R.A, Mosimann, S, Little, J.W, J Strynadka, N.C.
登録日2001-06-27
公開日2001-09-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of LexA: a conformational switch for regulation of self-cleavage.
Cell(Cambridge,Mass.), 106, 2001
4IE7
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Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with citrate and rhein (RHN)
分子名称: 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, CITRATE ANION, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6004 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013

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