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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
Descriptor: Chromobox protein homolog 6, Histone H3K9me3 peptide
Authors: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)
Deposit date:2009-03-30
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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
Descriptor: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE
Authors:Witkowski, W.A, Hardy, J.A.
Deposit date:2009-04-13
Release date:2009-06-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite: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
Descriptor: 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, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2018-02-22
Release date:2018-05-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.8 Å)
Cite: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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BU of 4k79 by Molmil
Recognition of the Thomsen-Friedenreich Antigen by a Lamprey Variable Lymphocyte Receptor
Descriptor: Variable lymphocyte receptor, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A.
Deposit date:2013-04-16
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Pumilio homolog 2
Authors:Jenkins, H.T, Edwards, T.A.
Deposit date:2009-03-31
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: Histone H3, WD-repeat protein 5
Authors:Chai, J, Han, Z, Wang, H, Shen, Y.
Deposit date:2006-03-06
Release date:2006-09-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
Authors: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.
Deposit date:2013-04-20
Release date:2013-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Calcarisporiella thermophila Hsp104
Authors:Zhang, K, Pintilie, G.
Deposit date:2018-04-09
Release date:2019-04-03
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ASPARAGINE, Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, ...
Authors:Wu, J, Bu, W, Sheppard, K, Kitabatake, M, Soll, D, Smith, J.L.
Deposit date:2009-04-09
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: aurein 1.2 analog
Authors:Wang, G, Li, X, Peterkofsky, A.
Deposit date:2005-11-19
Release date:2006-10-17
Last modified:2020-06-24
Method:SOLUTION NMR
Cite: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.
Descriptor: SEC-ALKYL SULFATASE, SULFATE ION, ZINC ION
Authors:Kepplinger, B, Faber, K, Macheroux, P, Schober, M, Knaus, T, Wagner, U.G.
Deposit date:2011-04-29
Release date:2012-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase alpha chain, ...
Authors:Chen, C, Saxena, A.K, Simcoke, W.N, Garboczi, D.N, Pedersen, P.L, Ko, Y.H.
Deposit date:2005-11-22
Release date:2006-03-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING MN
Authors:von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I.
Deposit date:2005-12-16
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite: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
Descriptor: 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, ...
Authors:Chauviac, F.-X, Bommer, M, Dobbek, H, Keep, N.H.
Deposit date:2012-10-10
Release date:2012-11-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: SULFATE ION, TUMOR PROTEIN 63
Authors:Sathyamurthy, A, Freund, S.M.V, Johnson, C.M, Allen, M.D.
Deposit date:2011-02-16
Release date:2011-08-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of P63Alpha Sam Domain Mutants Involved in Aec Syndrome.
FEBS J., 278, 2011
2F86
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BU of 2f86 by Molmil
The Association Domain of C. elegans CaMKII
Descriptor: Hypothetical protein K11E8.1d
Authors:Rosenberg, O.S, Kuriyan, J.
Deposit date:2005-12-01
Release date:2006-02-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Oligomerization states of the association domain and the holoenyzme of Ca2+/CaM kinase II.
Febs J., 273, 2006
3HAG
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BU of 3hag by Molmil
Crystal structure of the Hepatitis E Virus-like Particle
Descriptor: Capsid protein
Authors:Guu, T.S.Y, Liu, Z, Ye, Q, Mata, D.A, Li, K, Yin, C, Zhang, J, Tao, Y.J.
Deposit date:2009-05-01
Release date:2009-09-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the hepatitis E virus-like particle suggests mechanisms for virus assembly and receptor binding.
Proc.Natl.Acad.Sci.USA, 106, 2009
1N45
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BU of 1n45 by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN HEME OXYGENASE-1 (HO-1) IN COMPLEX WITH ITS SUBSTRATE HEME
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, heme oxygenase 1
Authors:Schuller, D.J, Wilks, A, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2002-10-30
Release date:2002-11-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1.
J. Biol. Chem., 278, 2003
2YHW
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BU of 2yhw by Molmil
High-resolution crystal structures of N-Acetylmannosamine kinase: Insights about substrate specificity, activity and inhibitor modelling.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-mannopyranose, ACETATE ION, ...
Authors:Martinez, J, Nguyen, L.D, Tauberger, E, Hinderlich, S, Zimmer, R, Tauberger, E, Reutter, W, Saenger, W, Fan, H, Moniot, S.
Deposit date:2011-05-08
Release date:2012-02-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal Structures of N-Acetylmannosamine Kinase Provide Insights Into Enzyme Specificity and Inhibition
J.Biol.Chem., 287, 2012
6CHL
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BU of 6chl by Molmil
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
Descriptor: (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, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
2YLX
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BU of 2ylx by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Asp66Ala MUTANT IN COMPLEX WITH NADP AND MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011

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數據於2024-09-25公開中

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