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3KOA
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BU of 3koa by Molmil
M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA and GTP
Descriptor: 3D polymerase, DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R.
Deposit date:2009-11-13
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
1FB2
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BU of 1fb2 by Molmil
STRUCTURE OF PHOSPHOLIPASE A2 FROM DABOIA RUSSELLI PULCHELLA AT 1.95
Descriptor: PHOSPHOLIPASE A2
Authors:Chandra, V, Kaur, P, Betzel, C, Singh, T.P.
Deposit date:2000-07-14
Release date:2001-07-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Regulation of catalytic function by molecular association: structure of phospholipase A2 from Daboia russelli pulchella (DPLA2) at 1.9 A resolution.
Acta Crystallogr.,Sect.D, 57, 2001
5G05
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BU of 5g05 by Molmil
Cryo-EM structure of combined apo phosphorylated APC
Descriptor: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
Authors:Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
Deposit date:2016-03-16
Release date:2016-05-25
Last modified:2019-09-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
3TL5
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BU of 3tl5 by Molmil
Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer
Descriptor: (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2011-08-29
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.788 Å)
Cite:Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer.
J.Med.Chem., 54, 2011
3KNA
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BU of 3kna by Molmil
M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA
Descriptor: 3D polymerase, MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), ...
Authors:Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R.
Deposit date:2009-11-12
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
6RAV
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BU of 6rav by Molmil
Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
Descriptor: 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
Authors:Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
Deposit date:2019-04-08
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
1FJK
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BU of 1fjk by Molmil
NMR Solution Structure of Phospholamban (C41F)
Descriptor: CARDIAC PHOSPHOLAMBAN
Authors:Lamberth, S, Griesinger, C, Schmid, H, Carafoli, E, Muenchbach, M, Vorherr, T, Krebs, J.
Deposit date:2000-08-08
Release date:2000-09-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR Solution Structure of Phospholamban
HELV.CHIM.ACTA, 83, 2000
1FJP
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BU of 1fjp by Molmil
NMR Solution Structure of Phospholamban (C41F)
Descriptor: CARDIAC PHOSPHOLAMBAN
Authors:Lamberth, S, Griesinger, C, Schmid, H, Carafoli, E, Muenchbach, M, Vorherr, T, Krebs, J.
Deposit date:2000-08-08
Release date:2000-09-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR Solution Structure of Phospholamban
HELV.CHIM.ACTA, 83, 2000
1FO4
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BU of 1fo4 by Molmil
CRYSTAL STRUCTURE OF XANTHINE DEHYDROGENASE ISOLATED FROM BOVINE MILK
Descriptor: 2-HYDROXYBENZOIC ACID, CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, ...
Authors:Enroth, C, Eger, B.T, Okamoto, K, Nishino, T, Nishino, T, Pai, E.F.
Deposit date:2000-08-24
Release date:2000-10-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of bovine milk xanthine dehydrogenase and xanthine oxidase: structure-based mechanism of conversion.
Proc.Natl.Acad.Sci.USA, 97, 2000
1FFX
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BU of 1ffx by Molmil
TUBULIN:STATHMIN-LIKE DOMAIN COMPLEX
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, PROTEIN (STATHMIN-LIKE DOMAIN OF RB3), ...
Authors:Gigant, B, Martin-Barbey, C, Knossow, M.
Deposit date:2000-07-26
Release date:2000-09-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:The 4 A X-ray structure of a tubulin:stathmin-like domain complex.
Cell(Cambridge,Mass.), 102, 2000
3L17
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BU of 3l17 by Molmil
Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer
Descriptor: 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2009-12-10
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
1FF5
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BU of 1ff5 by Molmil
STRUCTURE OF E-CADHERIN DOUBLE DOMAIN
Descriptor: CALCIUM ION, EPITHELIAL CADHERIN
Authors:Pertz, O, Bozic, D, Koch, A.W, Fauser, C, Brancaccio, A, Engel, J.
Deposit date:2000-07-25
Release date:2000-08-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:A new crystal structure, Ca2+ dependence and mutational analysis reveal molecular details of E-cadherin homoassociation.
EMBO J., 18, 1999
3L13
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BU of 3l13 by Molmil
Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors
Descriptor: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2009-12-10
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
3KLV
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BU of 3klv by Molmil
M296I G62S mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA
Descriptor: 3D polymerase, MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), ...
Authors:Ferrer-Orta, C, Sierra, M, Agudo, R, Perez-Luque, R, Arias, A, Verdaguer, N.
Deposit date:2009-11-09
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
3KMQ
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BU of 3kmq by Molmil
G62S mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA, tetragonal structure
Descriptor: 3D polymerase, RNA (5'-R(*GP*GP*CP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*CP*C)-3')
Authors:Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R.
Deposit date:2009-11-11
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
3U8W
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BU of 3u8w by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor
Descriptor: 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
Authors:Mohr, C, Jordan, S.
Deposit date:2011-10-17
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3LPI
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BU of 3lpi by Molmil
Structure of BACE Bound to SCH745132
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Strickland, C, Cumming, J.
Deposit date:2010-02-05
Release date:2010-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
4N7G
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BU of 4n7g by Molmil
Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-15
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
5WZK
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BU of 5wzk by Molmil
Structure of APUM23-deletion-of-insert-region-GGAAUUGACGG
Descriptor: Pumilio homolog 23, RNA (5'-R(*GP*GP*AP*AP*UP*UP*GP*AP*CP*GP*G)-3')
Authors:Bao, H, Wang, N, Wang, C, Jiang, Y, Wu, J, Shi, Y.
Deposit date:2017-01-18
Release date:2017-09-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the specific recognition of 18S rRNA by APUM23.
Nucleic Acids Res., 45, 2017
4MOA
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BU of 4moa by Molmil
Crystal structure of CRY4BA-R203Q TOXIN
Descriptor: Pesticidal crystal protein cry4Ba
Authors:Thamwiriyasati, N, Angsuthanasombat, C, Chen, C.-J.
Deposit date:2013-09-11
Release date:2014-12-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potential Prepore Trimer Formation by the Bacillus thuringiensis Mosquito-specific Toxin: MOLECULAR INSIGHTS INTO A CRITICAL PREREQUISITE OF MEMBRANE-BOUND MONOMERS
J.Biol.Chem., 290, 2015
5WOE
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BU of 5woe by Molmil
Solution structure of the sorting nexin 25 phox-homology domain
Descriptor: Sorting nexin-25
Authors:Chin, Y.K.Y, Mas, C, Mobli, M, Collins, B.M.
Deposit date:2017-08-01
Release date:2018-08-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
5WPY
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BU of 5wpy by Molmil
Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
Descriptor: N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, Peptidyl carrier protein
Authors:Zhao, B, Lan, W, Tang, G, Cao, C.
Deposit date:2016-11-21
Release date:2017-11-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:major solution Structure of KstB-PCP in kosinostatin biosynthesis
To Be Published
5W96
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BU of 5w96 by Molmil
Solution structure of phage derived peptide inhibitor of frizzled 7 receptor
Descriptor: Fz7 binding peptide
Authors:Nile, A.H, de Sousa e Melo, F, Mukund, S, Piskol, R, Hansen, S, Zhou, L, Zhang, Y, Fu, Y, Gogol, E.B, Komuves, L.G, Modrusan, Z, Angers, S, Franke, Y, Koth, C, Fairbrother, W.J, Wang, W, de Sauvage, F.J, Hannoush, R.N.
Deposit date:2017-06-22
Release date:2018-04-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
5WPX
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BU of 5wpx by Molmil
Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
Descriptor: Peptidyl carrier protein, ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate
Authors:Zhao, B, Lan, W, Tang, G, Cao, C.
Deposit date:2016-11-21
Release date:2018-02-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
To Be Published
4MR4
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BU of 4mr4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208)
Descriptor: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013

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