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1QMA
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BU of 1qma by Molmil
Nuclear Transport Factor 2 (NTF2) W7A mutant
Descriptor: NUCLEAR TRANSPORT FACTOR 2
Authors:Bayliss, R, Ribbeck, K, Akin, D, Kent, H.M, Feldherr, C.M, Gorlich, D, Stewart, M.J.
Deposit date:1999-09-23
Release date:2000-02-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interaction Betweeen Ntf2 and Xfxfg-Containing Nucleoporins is Required to Mediate Nuclear Import of Ran-Gdp
J.Mol.Biol., 293, 1999
1FCY
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BU of 1fcy by Molmil
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARBETA/GAMMA-SELECTIVE RETINOID CD564
Descriptor: 6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
Authors:Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2000-07-19
Release date:2000-09-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
3PAA
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BU of 3paa by Molmil
Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 8.0
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D.
Deposit date:2010-10-19
Release date:2010-12-01
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid .
Biochemistry, 49, 2010
1H3O
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BU of 1h3o by Molmil
Crystal Structure of the Human TAF4-TAF12 (TAFII135-TAFII20) Complex
Descriptor: TRANSCRIPTION INITIATION FACTOR TFIID 135 KDA SUBUNIT, TRANSCRIPTION INITIATION FACTOR TFIID 20/15 KDA SUBUNITS
Authors:Werten, S, Mitschler, A, Moras, D.
Deposit date:2002-09-12
Release date:2002-09-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a Subcomplex of Human Transcription Factor TFIID Formed by TATA Binding Protein-Associated Factors Htaf4 (Htaf(II)135) and Htaf12 (Htaf(II)20).
J.Biol.Chem., 277, 2002
4M3Q
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BU of 4m3q by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917
Descriptor: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ...
Authors:Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
Deposit date:2013-08-06
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors.
J.Med.Chem., 56, 2013
1OWW
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BU of 1oww by Molmil
Solution structure of the first type III module of human fibronectin determined by 1H, 15N NMR spectroscopy
Descriptor: Fibronectin first type III module
Authors:Gao, M, Craig, D, Lequin, O, Campbell, I.D, Vogel, V, Schulten, K.
Deposit date:2003-03-31
Release date:2003-10-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and functional significance of mechanically unfolded fibronectin type III1 intermediates
Proc.Natl.Acad.Sci.USA, 100, 2003
8QQI
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BU of 8qqi by Molmil
E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800
Descriptor: DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Ghilarov, D, Martin, N.I, van der Stelt, M.
Deposit date:2023-10-04
Release date:2024-06-19
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria.
Nat.Chem., 16, 2024
3G8I
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BU of 3g8i by Molmil
Aleglitazar, a new, potent, and balanced PPAR alpha/gamma agonist for the treatment of type II diabetes
Descriptor: (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
Authors:Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puentener, K, Raab, S, Ruf, A, Schlatter, D, Gsell, B, Stihle, M, Mohr, P.
Deposit date:2009-02-12
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
7AEG
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BU of 7aeg by Molmil
SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide
Authors:Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
Deposit date:2020-09-17
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
3GGP
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BU of 3ggp by Molmil
Crystal structure of prephenate dehydrogenase from A. aeolicus in complex with hydroxyphenyl propionate and NAD+
Descriptor: CHLORIDE ION, HYDROXYPHENYL PROPIONIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Sun, W, Shahinas, D, Kimber, M.S, Christendat, D.
Deposit date:2009-03-01
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Crystal Structure of Aquifex aeolicus Prephenate Dehydrogenase Reveals the Mode of Tyrosine Inhibition.
J.Biol.Chem., 284, 2009
1FCZ
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BU of 1fcz by Molmil
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE PANAGONIST RETINOID BMS181156
Descriptor: 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
Authors:Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2000-07-19
Release date:2000-09-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
7A22
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BU of 7a22 by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-15
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
7A4B
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BU of 7a4b by Molmil
Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine
Descriptor: 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-19
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
3G9E
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BU of 3g9e by Molmil
Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes
Descriptor: (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Ruf, A, Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puenterner, K, Raab, S, Schlatter, D, Gsell, B, Stihle, M, Mohr, P.
Deposit date:2009-02-13
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
6BNA
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BU of 6bna by Molmil
BINDING OF AN ANTITUMOR DRUG TO DNA. NETROPSIN AND C-G-C-G-A-A-T-T-BRC-G-C-G
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(CBR)P*GP*CP*G)-3'), NETROPSIN
Authors:Kopka, M.L, Yoon, C, Goodsell, D, Pjura, P, Dickerson, R.E.
Deposit date:1984-08-30
Release date:1984-10-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Binding of an antitumor drug to DNA, Netropsin and C-G-C-G-A-A-T-T-BrC-G-C-G.
J.Mol.Biol., 183, 1985
3GGG
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BU of 3ggg by Molmil
The crystal structure of A. aeolicus prephenate dehydrogenase in complex with tyrosine and NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Prephenate dehydrogenase, TYROSINE
Authors:Sun, W, Shahinas, D, Christendat, D.
Deposit date:2009-02-27
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The Crystal Structure of Aquifex aeolicus Prephenate Dehydrogenase Reveals the Mode of Tyrosine Inhibition.
J.Biol.Chem., 284, 2009
7A2H
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BU of 7a2h by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-imidazo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-18
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
7A4C
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BU of 7a4c by Molmil
Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine
Descriptor: 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-19
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
1H6B
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BU of 1h6b by Molmil
Reduced Precursor Form of Glucose-Fructose Oxidoreductase from Zymomonas mobilis complexed with glycerol
Descriptor: GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PRECURSOR FORM OF GLUCOSE-FRUCTOSE OXIDOREDUCTASE
Authors:Nurizzo, D, Baker, E.N.
Deposit date:2001-06-11
Release date:2001-11-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the Precursor Form of Glucose-Fructose Oxidoreductase from Zymomonas Mobilis and its Complexes with Bound Ligands
Biochemistry, 40, 2001
1NX2
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BU of 1nx2 by Molmil
Calpain Domain VI
Descriptor: CALCIUM ION, Calcium-dependent protease, small subunit
Authors:Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L.
Deposit date:2003-02-07
Release date:2003-08-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor.
J.Mol.Biol., 328, 2003
1NYH
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BU of 1nyh by Molmil
Crystal Structure of the Coiled-coil Dimerization Motif of Sir4
Descriptor: Regulatory protein SIR4
Authors:Chang, J.F, Hall, B.E, Tanny, J.C, Moazed, D, Filman, D, Ellenberger, T.
Deposit date:2003-02-12
Release date:2003-06-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Coiled-coil Dimerization Motif of Sir4 and Its Interaction With Sir3
Structure, 11, 2003
3OWS
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BU of 3ows by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida with Bound Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Sigala, P.A, Fenn, T.D, Herschlag, D.
Deposit date:2010-09-20
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site.
Proc.Natl.Acad.Sci.USA, 109, 2013
1GZN
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BU of 1gzn by Molmil
Structure of PKB kinase domain
Descriptor: RAC-BETA SERINE/THREONINE PROTEIN KINASE
Authors:Barford, D, Yang, J, Hemmings, B.A.
Deposit date:2002-05-24
Release date:2003-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Mechanism for the Regulation of Protein Kinase B/Akt by Hydrophobic Motif Phosphorylation
Mol.Cell, 9, 2002
3RUB
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BU of 3rub by Molmil
CRYSTAL STRUCTURE OF THE UNACTIVATED FORM OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM TOBACCO REFINED AT 2.0-ANGSTROMS RESOLUTION
Descriptor: ASPARAGINE, RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE, FORM III, ...
Authors:Schreuder, H, Cascio, D, Curmi, P.M.G, Chapman, M.S, Suh, S.W, Eisenberg, D.S.
Deposit date:1990-05-25
Release date:1992-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the unactivated form of ribulose-1,5-bisphosphate carboxylase/oxygenase from tobacco refined at 2.0-A resolution.
J.Biol.Chem., 267, 1992
8PPO
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BU of 8ppo by Molmil
First Intermediate Amyloid (FIA) - Tau
Descriptor: Microtubule-associated protein tau
Authors:Lovestam, S, Scheres, S.H.W, Goedert, M, Li, D.
Deposit date:2023-07-07
Release date:2023-08-02
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024

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