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3GV6
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BU of 3gv6 by Molmil
Crystal Structure of human chromobox homolog 6 (CBX6) with H3K9 peptide
分子名称: Chromobox protein homolog 6, Histone H3K9me3 peptide
著者Dong, A, Amaya, M.F, Li, Z, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2009-03-30
公開日2009-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3H1P
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BU of 3h1p by Molmil
Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site
分子名称: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE
著者Witkowski, W.A, Hardy, J.A.
登録日2009-04-13
公開日2009-06-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献L2' loop is critical for caspase-7 active site formation.
Protein Sci., 18, 2009
6CH7
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BU of 6ch7 by Molmil
XFEL crystal structure of a natively-glycosylated BG505 SOSIP.664 HIV-1 Envelope Trimer in complex with the broadly-neutralizing antibodies BG18 and 35O22
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2018-02-22
公開日2018-05-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural characterization of a highly-potent V3-glycan broadly neutralizing antibody bound to natively-glycosylated HIV-1 envelope.
Nat Commun, 9, 2018
4K79
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Recognition of the Thomsen-Friedenreich Antigen by a Lamprey Variable Lymphocyte Receptor
分子名称: Variable lymphocyte receptor, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
著者Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A.
登録日2013-04-16
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Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
3GVT
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BU of 3gvt by Molmil
Structure and RNA binding of the mouse Pumilio-2 Puf Domain
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Pumilio homolog 2
著者Jenkins, H.T, Edwards, T.A.
登録日2009-03-31
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and RNA binding of the mouse Pumilio-2 Puf domain
J.Struct.Biol., 167, 2009
6CHO
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BU of 6cho by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
分子名称: 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
2G99
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BU of 2g99 by Molmil
Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
分子名称: Histone H3, WD-repeat protein 5
著者Chai, J, Han, Z, Wang, H, Shen, Y.
登録日2006-03-06
公開日2006-09-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
To be published
4K9J
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BU of 4k9j by Molmil
Structure of Re(CO)3(4,7-dimethyl-phen)(Thr126His)(Lys122Trp)(His83Glu)(Trp48Phe)(Tyr72Phe)(Tyr108Phe)AzCu(II), a Rhenium modified Azurin mutant
分子名称: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
著者Takematsu, K, Williamson, H.R, Blanco-Rodriguez, A.M, Sokolova, L, Nikolovski, P, Kaiser, J.T, Towrie, M, Clark, I.P, Vlcek Jr, A, Winkler, J.R, Gray, H.B.
登録日2013-04-20
公開日2013-10-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Tryptophan-accelerated electron flow across a protein-protein interface.
J.Am.Chem.Soc., 135, 2013
2G6H
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BU of 2g6h by Molmil
Structure of rat nNOS heme domain (BH4 bound) in the reduced form
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
著者Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
登録日2006-02-24
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
6D00
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BU of 6d00 by Molmil
Calcarisporiella thermophila Hsp104
分子名称: ADENOSINE-5'-DIPHOSPHATE, Calcarisporiella thermophila Hsp104
著者Zhang, K, Pintilie, G.
登録日2018-04-09
公開日2019-04-03
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of Calcarisporiella thermophila Hsp104 Disaggregase that Antagonizes Diverse Proteotoxic Misfolding Events.
Structure, 27, 2019
6CCO
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BU of 6cco by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-((1S,2S)-2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)cyclopentyl)benzoic acid
分子名称: 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
3H0L
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BU of 3h0l by Molmil
Structure of trna-dependent amidotransferase gatcab from aquifex aeolicus
分子名称: ADENOSINE-5'-DIPHOSPHATE, ASPARAGINE, Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, ...
著者Wu, J, Bu, W, Sheppard, K, Kitabatake, M, Soll, D, Smith, J.L.
登録日2009-04-09
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights into tRNA-Dependent Amidotransferase Evolution and Catalysis from the Structure of the Aquifex aeolicus Enzyme
J.Mol.Biol., 391, 2009
2F3A
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BU of 2f3a by Molmil
Solution structure of the LL-37-derived aurein 1.2 analog (LLAA) in membrane-mimetic micelles
分子名称: aurein 1.2 analog
著者Wang, G, Li, X, Peterkofsky, A.
登録日2005-11-19
公開日2006-10-17
最終更新日2020-06-24
実験手法SOLUTION NMR
主引用文献NMR studies of aurein 1.2 analogs
BIOCHIM.BIOPHYS.ACTA, 1758, 2006
2YHE
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BU of 2yhe by Molmil
Structure determination of the stereoselective inverting sec- alkylsulfatase Pisa1 from Pseudomonas sp.
分子名称: SEC-ALKYL SULFATASE, SULFATE ION, ZINC ION
著者Kepplinger, B, Faber, K, Macheroux, P, Schober, M, Knaus, T, Wagner, U.G.
登録日2011-04-29
公開日2012-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates.
FEBS J., 279, 2012
2F43
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BU of 2f43 by Molmil
Rat liver F1-ATPase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase alpha chain, ...
著者Chen, C, Saxena, A.K, Simcoke, W.N, Garboczi, D.N, Pedersen, P.L, Ko, Y.H.
登録日2005-11-22
公開日2006-03-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mitochondrial ATP synthase: Crystal structure of the catalytic F1 unit in a vanadate-induced transition-like state and implications for mechanism.
J.Biol.Chem., 281, 2006
2FER
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BU of 2fer by Molmil
P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX
分子名称: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING MN
著者von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I.
登録日2005-12-16
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
6CCQ
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BU of 6ccq by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
分子名称: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
2YMV
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BU of 2ymv by Molmil
Structure of Reduced M Smegmatis 5246, a homologue of M.Tuberculosis Acg
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, ACG NITROREDUCTASE, ...
著者Chauviac, F.-X, Bommer, M, Dobbek, H, Keep, N.H.
登録日2012-10-10
公開日2012-11-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Reduced Msacg, a Putative Nitroreductase from Mycobacterium Smegmatis and a Close Homologue of Mycobacterium Tuberculosis Acg.
J.Biol.Chem., 287, 2012
2Y9U
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BU of 2y9u by Molmil
Structural basis of p63a SAM domain mutants involved in AEC syndrome
分子名称: SULFATE ION, TUMOR PROTEIN 63
著者Sathyamurthy, A, Freund, S.M.V, Johnson, C.M, Allen, M.D.
登録日2011-02-16
公開日2011-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis of P63Alpha Sam Domain Mutants Involved in Aec Syndrome.
FEBS J., 278, 2011
2F86
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The Association Domain of C. elegans CaMKII
分子名称: Hypothetical protein K11E8.1d
著者Rosenberg, O.S, Kuriyan, J.
登録日2005-12-01
公開日2006-02-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Oligomerization states of the association domain and the holoenyzme of Ca2+/CaM kinase II.
Febs J., 273, 2006
1N45
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X-RAY CRYSTAL STRUCTURE OF HUMAN HEME OXYGENASE-1 (HO-1) IN COMPLEX WITH ITS SUBSTRATE HEME
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, heme oxygenase 1
著者Schuller, D.J, Wilks, A, Ortiz de Montellano, P.R, Poulos, T.L.
登録日2002-10-30
公開日2002-11-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1.
J. Biol. Chem., 278, 2003
3HAG
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Crystal structure of the Hepatitis E Virus-like Particle
分子名称: Capsid protein
著者Guu, T.S.Y, Liu, Z, Ye, Q, Mata, D.A, Li, K, Yin, C, Zhang, J, Tao, Y.J.
登録日2009-05-01
公開日2009-09-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of the hepatitis E virus-like particle suggests mechanisms for virus assembly and receptor binding.
Proc.Natl.Acad.Sci.USA, 106, 2009
2YHW
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High-resolution crystal structures of N-Acetylmannosamine kinase: Insights about substrate specificity, activity and inhibitor modelling.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-mannopyranose, ACETATE ION, ...
著者Martinez, J, Nguyen, L.D, Tauberger, E, Hinderlich, S, Zimmer, R, Tauberger, E, Reutter, W, Saenger, W, Fan, H, Moniot, S.
登録日2011-05-08
公開日2012-02-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal Structures of N-Acetylmannosamine Kinase Provide Insights Into Enzyme Specificity and Inhibition
J.Biol.Chem., 287, 2012
6CHL
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Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile
分子名称: (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
2YLX
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SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Asp66Ala MUTANT IN COMPLEX WITH NADP AND MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
登録日2011-06-06
公開日2011-06-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011

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