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4KRV
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BU of 4krv by Molmil
Crystal structure of catalytic domain of bovine beta1,4-galactosyltransferase mutant M344H-GalT1 complex with 6-sulfo-GlcNAc
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE, Beta-1,4-galactosyltransferase 1, ...
Authors:Ramakrishnan, B, Qasba, P.K.
Deposit date:2013-05-17
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Investigations on beta 1,4-galactosyltransferase I using 6-sulfo-GlcNAc as an acceptor sugar substrate.
Glycoconj J, 30, 2013
3MPS
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BU of 3mps by Molmil
Peroxide Bound Oxidized Rubrerythrin from Pyrococcus furiosus
Descriptor: FE (III) ION, HYDROGEN PEROXIDE, MU-OXO-DIIRON, ...
Authors:Dillard, B.D, Adams, M.W.W, Lanzilotta, W.N.
Deposit date:2010-04-27
Release date:2011-06-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:A cryo-crystallographic time course for peroxide reduction by rubrerythrin from Pyrococcus furiosus.
J.Biol.Inorg.Chem., 16, 2011
4K7X
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BU of 4k7x by Molmil
Crystal structure of a 4-hydroxyproline epimerase from burkholderia multivorans, target efi-506479, with bound phosphate, closed domains
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-04-17
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a 4-hydroxyproline epimerase from burkholderia multivorans, target efi-506479, with bound phosphate, closed domains
To be Published
8SWW
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BU of 8sww by Molmil
BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody IF3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NHP polyclonal antibody IF3 Heavy Chain, ...
Authors:Pratap, P.P, Antansijevic, A, Ward, A.B.
Deposit date:2023-05-19
Release date:2024-05-22
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Priming antibody responses to the fusion peptide in rhesus macaques.
Npj Vaccines, 9, 2024
5ADC
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BU of 5adc by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl) quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
2YFQ
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BU of 2yfq by Molmil
Crystal structure of Glutamate dehydrogenase from Peptoniphilus asaccharolyticus
Descriptor: NAD-SPECIFIC GLUTAMATE DEHYDROGENASE, SULFATE ION
Authors:Oliveira, T, Panjikar, S, Carrigan, J.B, Sharkey, M.A, Hamza, M, Engel, P.C, Khan, A.R.
Deposit date:2011-04-07
Release date:2011-11-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Crystal Structure of Nad-Dependent Peptoniphilus Asaccharolyticus Glutamate Dehydrogenase Reveals Determinants of Cofactor Specificity.
J.Struct.Biol., 177, 2012
1RS6
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BU of 1rs6 by Molmil
Rat neuronal NOS heme domain with D-lysine-D-nitroarginine amide bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ...
Authors:Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L.
Deposit date:2003-12-09
Release date:2004-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Neuronal and Endothelial Nitric Oxide Synthase Heme Domain with d-Nitroarginine-Containing Dipeptide Inhibitors Bound.
Biochemistry, 43, 2004
1RV1
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BU of 1rv1 by Molmil
CRYSTAL STRUCTURE OF HUMAN MDM2 WITH AN IMIDAZOLINE INHIBITOR
Descriptor: CIS-[4,5-BIS-(4-BROMOPHENYL)-2-(2-ETHOXY-4-METHOXYPHENYL)-4,5-DIHYDROIMIDAZOL-1-YL]-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHANONE, Ubiquitin-protein ligase E3 Mdm2
Authors:Lukacs, C, Kammlott, U, Graves, B.
Deposit date:2003-12-12
Release date:2004-01-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In vivo activation of the p53 pathway by small-molecule antagonists of MDM2.
Science, 303, 2004
2LWW
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BU of 2lww by Molmil
NMR structure of RelA-TAD/CBP-TAZ1 complex
Descriptor: CREB-binding protein, Nuclear transcription factor RelA, ZINC ION
Authors:Mukherjee, S.P, Ghosh, G, Wright, P.E.
Deposit date:2012-08-07
Release date:2013-09-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Analysis of the RelA:CBP/p300 Interaction Reveals Its Involvement in NF-kappa B-Driven Transcription.
Plos Biol., 11, 2013
5LPG
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BU of 5lpg by Molmil
Structure of NUDT15 in complex with 6-thio-GMP
Descriptor: MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Masuyer, G, Carter, M, Rehling, D, Stenmark, P, Helleday, T, Jemth, A.-S, Valerie, N.C.K, Homan, E, Herr, P, Bevc, L, Page, B.D.G, Hagenkort, A.
Deposit date:2016-08-12
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:NUDT15 Hydrolyzes 6-Thio-DeoxyGTP to Mediate the Anticancer Efficacy of 6-Thioguanine.
Cancer Res., 76, 2016
2B9L
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BU of 2b9l by Molmil
Crystal structure of prophenoloxidase activating factor-II from the beetle Holotrichia diomphalia
Descriptor: CALCIUM ION, SULFATE ION, alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Piao, S, Song, Y.-L, Park, S.Y, Lee, B.L, Oh, B.-H, Ha, N.-C.
Deposit date:2005-10-12
Release date:2006-01-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a clip-domain serine protease and functional roles of the clip domains.
Embo J., 24, 2005
6DY3
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BU of 6dy3 by Molmil
Caenorhabditis elegans N-acylethanolamine-hydrolyzing acid amidase (NAAA) ortholog
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, N-acylethanolamine-hydrolyzing acid amidase alpha-subunit, N-acylethanolamine-hydrolyzing acid amidase beta-subunit
Authors:Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B.
Deposit date:2018-07-01
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8T2V
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BU of 8t2v by Molmil
Cryo-EM Structures of Full-length Integrin alphaIIbbeta3 in Native Lipids
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Adair, B, Xiong, J.P, Yeager, M, Arnaout, M.A.
Deposit date:2023-06-06
Release date:2023-07-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of full-length integrin alpha IIb beta 3 in native lipids.
Nat Commun, 14, 2023
2MA8
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BU of 2ma8 by Molmil
Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein SrfN: Northeast Structural Genomics Consortium Target StR109
Descriptor: Putative secreted protein
Authors:Cort, J.R, Eletsky, A, Adkins, J.N, Burnet, M.C, Parish, D, Liu, K, Sukumaran, D.K, Jiang, M, Cunningham, K, Ma, T, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-06-29
Release date:2013-09-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
1QZ2
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BU of 1qz2 by Molmil
Crystal Structure of FKBP52 C-terminal Domain complex with the C-terminal peptide MEEVD of Hsp90
Descriptor: 5-mer peptide from Heat shock protein HSP 90, FK506-binding protein 4
Authors:Wu, B, Li, P, Lou, Z, Liu, Y, Ding, Y, Shu, C, Shen, B, Rao, Z.
Deposit date:2003-09-15
Release date:2004-06-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex.
Proc.Natl.Acad.Sci.USA, 101, 2004
6QG8
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BU of 6qg8 by Molmil
Structure of human Bcl-2 in complex with PUMA BH3 peptide
Descriptor: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3
Authors:Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6WES
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BU of 6wes by Molmil
Crystal structure of the effector SnTox3 from Parastagonospora nodorum
Descriptor: Tox3
Authors:Outram, M.A, Williams, S.J, Ericsson, D.J, Kobe, B, Solomon, P.S.
Deposit date:2020-04-02
Release date:2020-11-04
Last modified:2021-09-01
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The crystal structure of SnTox3 from the necrotrophic fungus Parastagonospora nodorum reveals a unique effector fold and provides insight into Snn3 recognition and pro-domain protease processing of fungal effectors.
New Phytol., 231, 2021
4JYT
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BU of 4jyt by Molmil
Crystal Structure of Matriptase in complex with Inhibitor
Descriptor: 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein
Authors:Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
Deposit date:2013-04-01
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
6WJQ
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BU of 6wjq by Molmil
Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
Descriptor: 3-phosphoinositide-dependent protein kinase 1, WD repeat-containing protein 5
Authors:Zhao, B, Fesik, S.
Deposit date:2020-04-14
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
Cell Rep, 2021
4JZI
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BU of 4jzi by Molmil
Crystal Structure of Matriptase in complex with Inhibitor".
Descriptor: N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide, Suppressor of tumorigenicity 14 protein
Authors:Subramanya, H.S, Chandra, R.B, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
Deposit date:2013-04-03
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
8B4Q
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BU of 8b4q by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 5
Descriptor: 14-3-3 protein sigma, 3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-09-20
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8BJG
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BU of 8bjg by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 8
Descriptor: 14-3-3 protein sigma, 3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-11-04
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
4JZ1
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BU of 4jz1 by Molmil
Crystal Structure of Matriptase in complex with Inhibitor
Descriptor: 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein
Authors:Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
Deposit date:2013-04-02
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
6D3W
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BU of 6d3w by Molmil
Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ...
Authors:Hofmann, A, Cross, M, Park, S.-Y.
Deposit date:2018-04-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Trehalose 6-phosphate phosphatases of Pseudomonas aeruginosa.
FASEB J., 32, 2018
8BJN
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BU of 8bjn by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 6
Descriptor: 14-3-3 protein sigma, 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-11-04
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023

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