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8D02
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BU of 8d02 by Molmil
Crystal Structure of Bacillus anthracis BxpB
分子名称: BxpB, CALCIUM ION
著者Chattopadhyay, D, Turnbough, C.L.
登録日2022-05-25
公開日2023-05-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure and induced stability of trimeric BxpB: implications for the assembly of BxpB-BclA complexes in the exosporium of Bacillus anthracis.
Mbio, 14, 2023
5UI1
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BU of 5ui1 by Molmil
Crystal Structure of Human Protein Phosphatase 5C (PP5C) in complex with a triazole inhibitor
分子名称: 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Chattopadhyay, D, Swingle, M.R, Salter, E.A, Banerjee, S, Honkanen, R.E.
登録日2017-01-12
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure Human PP5C in Complex with an Inhibitor
To Be Published
2LKW
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BU of 2lkw by Molmil
A Myristoylated Polyproline Type II Helix Functions as a Novel Fusion Peptide During Cell-Cell Membrane Fusion Induced by the Baboon Reovirus p15 FAST Protein
分子名称: Membrane fusion protein p15
著者Top, D, Read, J, Dawe, S, Syvitski, R, Duncan, R.
登録日2011-10-21
公開日2011-12-14
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献A Myristoylated Polyproline Type II Helix Functions as a Novel Fusion Peptide During Cell-Cell Membrane Fusion Induced by the Baboon Reovirus p15 FAST Protein
To be Published
4ZX2
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BU of 4zx2 by Molmil
Co-crystal structures of PP5 in complex with 5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
分子名称: (1S,2R,3S,4R,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
著者Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E.
登録日2015-05-19
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Crystal structures and mutagenesis of PPP-family ser/thr protein phosphatases elucidate the selectivity of cantharidin and novel norcantharidin-based inhibitors of PP5C.
Biochem. Pharmacol., 109, 2016
4ZVZ
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BU of 4zvz by Molmil
Co-crystal structures of PP5 in complex with 5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
分子名称: (1R,2S,3R,4S,5S)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E.
登録日2015-05-18
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures and mutagenesis of PPP-family ser/thr protein phosphatases elucidate the selectivity of cantharidin and novel norcantharidin-based inhibitors of PP5C.
Biochem. Pharmacol., 109, 2016
3CLV
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BU of 3clv by Molmil
Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Rab5 protein, ...
著者Chattopadhyay, D, Wernimont, A.K, Langsley, G, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC)
登録日2008-03-20
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c
To be Published
1D5C
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BU of 1d5c by Molmil
CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM RAB6 COMPLEXED WITH GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAB6 GTPASE
著者Chattopadhyay, D, Langsley, G, Carson, M, Recacha, R, DeLucas, L, Smith, C.
登録日1999-10-06
公開日2000-08-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the nucleotide-binding domain of Plasmodium falciparum rab6 in the GDP-bound form.
Acta Crystallogr.,Sect.D, 56, 2000
1LTK
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BU of 1ltk by Molmil
CRYSTAL STRUCTURE OF PHOSPHOGLYCERATE KINASE FROM PLASMODIUM FALCIPARUM, IN THE OPEN CONFORMATION
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, PHOSPHOGLYCERATE KINASE, ...
著者Chattopadhyay, D, Pal, B, Smith, C.D.
登録日2002-05-20
公開日2003-07-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献CRYSTAL STRUCTURE OF PHOSPHOGLYCERATE KINASE FROM PLASMODIUM FALCIPARUM
To be Published
5MPZ
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BU of 5mpz by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP007
分子名称: CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-19
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQG
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BU of 5mqg by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP015
分子名称: 1-(4-azanyl-3-methoxy-phenyl)ethanone, CREB-binding protein
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MGK
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BU of 5mgk by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-propionyl-pyrrole derivative 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGG
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BU of 5mgg by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 4-chloropyridine derivative 3
分子名称: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGJ
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BU of 5mgj by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridine derivative 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGL
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BU of 5mgl by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-chloropyridine derivative 3
分子名称: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGE
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BU of 5mge by Molmil
Crystal structure of BAZ2B bromodomain in complex with 1-methylpyridine derivative 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGM
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BU of 5mgm by Molmil
Crystal Structure of BAZ2A bromodomain in complex with acetophenone derivative 4
分子名称: 1-(3-pyrimidin-2-yloxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MQE
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BU of 5mqe by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP006
分子名称: 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide, CREB-binding protein
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQK
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BU of 5mqk by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP019
分子名称: 1-(1-methylindol-3-yl)ethanone, CREB-binding protein
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MGF
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BU of 5mgf by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 4-propionyl-pyrrole derivative 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
3NT7
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BU of 3nt7 by Molmil
Crystal Structure of Vaccinia Virus Uracil DNA Glycosylase R187V Mutant
分子名称: GLYCEROL, SULFATE ION, Uracil-DNA glycosylase
著者Chattopadhyay, D.
登録日2010-07-02
公開日2011-05-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Vaccinia virus D4 mutants defective in processive DNA synthesis retain binding to A20 and DNA.
J.Virol., 84, 2010
4ND3
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BU of 4nd3 by Molmil
Crystal structure of the lactate dehydrogenase from cryptosporidium parvum complexed with substrate (l-lactic acid) and cofactor (b-nicotinamide adenine dinucleotide)
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, GLYCEROL, Lactate dehydrogenase, ...
著者Chattopadhyay, D, Cook, W.J.
登録日2013-10-25
公開日2014-12-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.
Int.J.Biol.Macromol., 74C, 2014
4ND4
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BU of 4nd4 by Molmil
Crystal structure of the lactate dehydrogenase from cryptosporidium parvum complexed with substrate (pyruvic acid) and cofactor (b-nicotinamide adenine dinucleotide)
分子名称: GLYCEROL, Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase, ...
著者Chattopadhyay, D, Cook, W.J.
登録日2013-10-25
公開日2014-12-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.
Int.J.Biol.Macromol., 74C, 2014
4ND2
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BU of 4nd2 by Molmil
Crystal structure of the lactate dehydrogenase from cryptosporidium parvum complexed with substrate (pyruvic acid) and cofactor analog (3-acetylpyridine adenine dinucleotide)
分子名称: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, GLYCEROL, Lactate dehydrogenase, ...
著者Chattopadhyay, D, Cook, W.J.
登録日2013-10-25
公開日2014-12-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.
Int.J.Biol.Macromol., 74C, 2014
4ND1
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BU of 4nd1 by Molmil
Crystal structure of the lactate dehydrogenase from cryptosporidium parvum complexed with cofactor (b-nicotinamide adenine dinucleotide) and inhibitor (oxamic acid)
分子名称: GLYCEROL, Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase, ...
著者Chattopadhyay, D, Cook, W.J.
登録日2013-10-25
公開日2014-12-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.
Int.J.Biol.Macromol., 74C, 2014
7UW2
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BU of 7uw2 by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1
分子名称: (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Chattopadhyay, D, Yang, Z, Atigadda, V.
登録日2022-05-02
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
J.Med.Chem., 65, 2022

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