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8D02
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BU of 8d02 by Molmil
Crystal Structure of Bacillus anthracis BxpB
Descriptor: BxpB, CALCIUM ION
Authors:Chattopadhyay, D, Turnbough, C.L.
Deposit date:2022-05-25
Release date:2023-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
Authors:Chattopadhyay, D, Swingle, M.R, Salter, E.A, Banerjee, S, Honkanen, R.E.
Deposit date:2017-01-12
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: Membrane fusion protein p15
Authors:Top, D, Read, J, Dawe, S, Syvitski, R, Duncan, R.
Deposit date:2011-10-21
Release date:2011-12-14
Last modified:2024-10-30
Method:SOLUTION NMR
Cite: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
Descriptor: (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, ...
Authors:Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E.
Deposit date:2015-05-19
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.23 Å)
Cite: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
Descriptor: (1R,2S,3R,4S,5S)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E.
Deposit date:2015-05-18
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Rab5 protein, ...
Authors: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)
Deposit date:2008-03-20
Release date:2008-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAB6 GTPASE
Authors:Chattopadhyay, D, Langsley, G, Carson, M, Recacha, R, DeLucas, L, Smith, C.
Deposit date:1999-10-06
Release date:2000-08-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, PHOSPHOGLYCERATE KINASE, ...
Authors:Chattopadhyay, D, Pal, B, Smith, C.D.
Deposit date:2002-05-20
Release date:2003-07-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-19
Release date:2017-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 1-(4-azanyl-3-methoxy-phenyl)ethanone, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite: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
Descriptor: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.651 Å)
Cite: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
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 1-(3-pyrimidin-2-yloxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 1-(1-methylindol-3-yl)ethanone, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: GLYCEROL, SULFATE ION, Uracil-DNA glycosylase
Authors:Chattopadhyay, D.
Deposit date:2010-07-02
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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)
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, GLYCEROL, Lactate dehydrogenase, ...
Authors:Chattopadhyay, D, Cook, W.J.
Deposit date:2013-10-25
Release date:2014-12-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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)
Descriptor: GLYCEROL, Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase, ...
Authors:Chattopadhyay, D, Cook, W.J.
Deposit date:2013-10-25
Release date:2014-12-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, GLYCEROL, Lactate dehydrogenase, ...
Authors:Chattopadhyay, D, Cook, W.J.
Deposit date:2013-10-25
Release date:2014-12-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: GLYCEROL, Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase, ...
Authors:Chattopadhyay, D, Cook, W.J.
Deposit date:2013-10-25
Release date:2014-12-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: (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
Authors:Chattopadhyay, D, Yang, Z, Atigadda, V.
Deposit date:2022-05-02
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
J.Med.Chem., 65, 2022

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数据于2024-10-30公开中

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