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3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
3RB8
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BU of 3rb8 by Molmil
Structure of the phage tubulin PhuZ(SeMet)-GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein
Authors:Agard, D.A, Pogliano, J, Kraemer, J.A, Erb, M.L, Waddling, C.A, Montabana, E.A, Wang, H, Nguyen, K, Pham, S.
Deposit date:2011-03-28
Release date:2012-07-04
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A phage tubulin assembles dynamic filaments by an atypical mechanism to center viral DNA within the host cell.
Cell(Cambridge,Mass.), 149, 2012
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
4V10
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BU of 4v10 by Molmil
Skelemin Association with alpha2b,beta3 Integrin: A Structural Model
Descriptor: MYOMESIN-1
Authors:Gorbatyuk, V, Deshmukh, L, Nguyen, K, Vinogradova, O.
Deposit date:2014-09-19
Release date:2014-10-08
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Skelemin Association with Alphaiibbeta3 Integrin: A Structural Model.
Biochemistry, 53, 2014
3R4V
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BU of 3r4v by Molmil
Structure of the phage tubulin PhuZ-GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein
Authors:Agard, D.A, Pogliano, J, Kraemer, J.A, Erb, M.L, Waddling, C.A, Montabana, E.A, Wang, H, Nguyen, K, Pham, S.
Deposit date:2011-03-17
Release date:2012-07-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A phage tubulin assembles dynamic filaments by an atypical mechanism to center viral DNA within the host cell.
Cell(Cambridge,Mass.), 149, 2012
2ML7
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BU of 2ml7 by Molmil
Ginsentides: Characterization, Structure and Application of a New Class of Highly Stable Cystine Knot Peptides in Ginseng
Descriptor: Specific abundant protein 3
Authors:Wang, S, Nguyen, K, Luo, S, Tam, J, Yang, D.
Deposit date:2014-02-20
Release date:2015-03-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Ginsentides: Characterization, Structure and Application of a New Class of Highly Stable Cystine Knot Peptides in Ginseng
To be Published
3D03
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BU of 3d03 by Molmil
1.9A structure of Glycerophoshphodiesterase (GpdQ) from Enterobacter aerogenes
Descriptor: COBALT (II) ION, Phosphohydrolase
Authors:Hadler, K.S, Tanifum, E, Yip, S.H.-C, Miti, N, Guddat, L.W, Jackson, C.J, Gahan, L.R, Carr, P.D, Nguyen, K, Ollis, D.L, Hengge, A.C, Larrabee, J.A, Schenk, G.
Deposit date:2008-04-30
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes.
J.Am.Chem.Soc., 130, 2008
3KHQ
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BU of 3khq by Molmil
Crystal structure of murine Ig-beta (CD79b) in the monomeric form
Descriptor: B-cell antigen receptor complex-associated protein beta chain, CITRATE ANION, GLUTATHIONE, ...
Authors:Radaev, S, Sun, P.D.
Deposit date:2009-10-30
Release date:2010-08-25
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
3KG5
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BU of 3kg5 by Molmil
Crystal structure of human Ig-beta homodimer
Descriptor: B-cell antigen receptor complex-associated protein beta chain
Authors:Radaev, S, Sun, P.D.
Deposit date:2009-10-28
Release date:2010-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
3KHO
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BU of 3kho by Molmil
Crystal structure of murine Ig-beta (CD79b) homodimer
Descriptor: B-cell antigen receptor complex-associated protein beta chain, SULFATE ION
Authors:Radaev, S, Sun, P.D.
Deposit date:2009-10-30
Release date:2010-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
2XS4
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BU of 2xs4 by Molmil
Structure of karilysin catalytic MMP domain in complex with magnesium
Descriptor: CHLORIDE ION, KARILYSIN PROTEASE, MAGNESIUM ION, ...
Authors:Cerda-Costa, N, Guevara, T, Karim, A.Y, Ksiazek, M, Nguyen, K.-A, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X.
Deposit date:2010-09-24
Release date:2010-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases.
Mol.Microbiol., 79, 2011
2XS3
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BU of 2xs3 by Molmil
Structure of karilysin catalytic MMP domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, KARILYSIN PROTEASE, PEPTIDE ALA-PHE-THR-SER, ...
Authors:Cerda-Costa, N, Guevara, T, Karim, A.Y, Ksiazek, M, Nguyen, K.-A, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X.
Deposit date:2010-09-24
Release date:2010-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases.
Mol.Microbiol., 79, 2011
5AG8
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BU of 5ag8 by Molmil
CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB
Descriptor: GINGIPAIN R2, GLYCEROL, SULFATE ION
Authors:de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J.
Deposit date:2015-01-29
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Outer-Membrane Export Signal of Porphyromonas Gingivalis Type Ix Secretion System (T9Ss) is a Conserved C-Terminal Beta-Sandwich Domain.
Sci.Rep., 6, 2016
6PU9
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BU of 6pu9 by Molmil
Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, Acetyltransferase, CHLORIDE ION
Authors:Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-17
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species.
Protein Sci., 29, 2020
6PUA
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BU of 6pua by Molmil
The 2.0 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Kim, Y, Maltseva, N, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species.
Protein Sci., 29, 2020
7UYX
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BU of 7uyx by Molmil
Structure of bacteriophage PA1c gp2
Descriptor: Bacteriophage PA1C gp2
Authors:Enustun, E, Deep, A, Gu, Y, Nguyen, K, Chaikeeratisak, V, Armbruster, E, Ghassemian, M, Pogliano, J, Corbett, K.D.
Deposit date:2022-05-07
Release date:2023-05-10
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Identification of the bacteriophage nucleus protein interaction network.
Nat.Struct.Mol.Biol., 30, 2023
7LWE
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BU of 7lwe by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-7629
Descriptor: ACETATE ION, B-cell lymphoma 6 protein, CHLORIDE ION, ...
Authors:Kuntz, D.A, Prive, G.G.
Deposit date:2021-03-01
Release date:2022-03-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LWG
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BU of 7lwg by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-12694
Descriptor: 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide, B-cell lymphoma 6 protein, GLYCEROL, ...
Authors:Kuntz, D.A, Prive, G.G.
Deposit date:2021-03-01
Release date:2022-03-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LWF
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BU of 7lwf by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-9320
Descriptor: B-cell lymphoma 6 protein, GLYCEROL, N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
Authors:Kuntz, D.A, Prive, G.G.
Deposit date:2021-03-01
Release date:2022-03-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LZS
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BU of 7lzs by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-11029
Descriptor: 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ...
Authors:Kuntz, D.A, Prive, G.G.
Deposit date:2021-03-10
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LZQ
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BU of 7lzq by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-4425
Descriptor: B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
Authors:Kuntz, D.A, Prive, G.G.
Deposit date:2021-03-10
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
1WZ9
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BU of 1wz9 by Molmil
The 2.1 A structure of a tumour suppressing serpin
Descriptor: Maspin precursor, SULFATE ION
Authors:Law, R.H, Irving, J.A, Buckle, A.M, Ruzyla, K, Buzza, M, Bashtannyk-Puhalovich, T.A, Beddoe, T.C, Kim, N, Worrall, D.M, Bottomley, S.P, Bird, P.I, Rossjohn, J, Whisstock, J.C.
Deposit date:2005-03-03
Release date:2005-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix.
J.Biol.Chem., 280, 2005
1XU8
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BU of 1xu8 by Molmil
The 2.8 A structure of a tumour suppressing serpin
Descriptor: Maspin, SULFATE ION
Authors:Irving, J.A, Law, R.H, Ruzyla, K, Bashtannyk-Puhalovich, T.A, Kim, N, Worrall, D.M, Rossjohn, J, Whisstock, J.C.
Deposit date:2004-10-25
Release date:2005-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix.
J.Biol.Chem., 280, 2005
8GCB
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BU of 8gcb by Molmil
Structure of RNF125 in complex with a UbcH5b~Ub conjugate
Descriptor: E3 ubiquitin-protein ligase RNF125, Ubiquitin-conjugating enzyme E2 D2, ZINC ION
Authors:Middleton, A.J, Day, C.L, Fokkens, T.J.
Deposit date:2023-03-01
Release date:2023-07-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Zinc finger 1 of the RING E3 ligase, RNF125, interacts with the E2 to enhance ubiquitylation.
Structure, 31, 2023
8GBQ
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BU of 8gbq by Molmil
Structure of RNF125 in complex with UbcH5b
Descriptor: E3 ubiquitin-protein ligase RNF125, GLYCEROL, Ubiquitin-conjugating enzyme E2 D2, ...
Authors:Middleton, A.J, Day, C.L, Fokkens, T.J.
Deposit date:2023-02-27
Release date:2023-07-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Zinc finger 1 of the RING E3 ligase, RNF125, interacts with the E2 to enhance ubiquitylation.
Structure, 31, 2023

 

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