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4HEU
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BU of 4heu by Molmil
Crystal Structure of PDE10A with a biaryl ether inhibitor ((1-(3-(4-((1H-benzo[d]imidazol-2-yl)amino)phenoxy)pyridin-2-yl)piperidin-4-yl)methanol)
Descriptor: (1-{3-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol, SULFATE ION, ZINC ION, ...
Authors:Chmait, S, Jordan, S.
Deposit date:2012-10-04
Release date:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux.
Bioorg.Med.Chem.Lett., 22, 2012
5I0L
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BU of 5i0l by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27).
Descriptor: (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-04
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
4EO8
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BU of 4eo8 by Molmil
HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres
Descriptor: 5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid, RNA-directed RNA polymerase
Authors:Appleby, T.C, Canales, E, Watkins, W.J.
Deposit date:2012-04-13
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
1I8F
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BU of 1i8f by Molmil
THE CRYSTAL STRUCTURE OF A HEPTAMERIC ARCHAEAL SM PROTEIN: IMPLICATIONS FOR THE EUKARYOTIC SNRNP CORE
Descriptor: GLYCEROL, PUTATIVE SNRNP SM-LIKE PROTEIN
Authors:Mura, C, Cascio, D, Sawaya, M.R, Eisenberg, D.
Deposit date:2001-03-14
Release date:2001-05-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of a heptameric archaeal Sm protein: Implications for the eukaryotic snRNP core.
Proc.Natl.Acad.Sci.USA, 98, 2001
1FAZ
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BU of 1faz by Molmil
THE CRYSTAL STRUCTURE OF PROKARYOTIC PHOSPHOLIPASE A2
Descriptor: PHOSPHOLIPASE A2
Authors:Matoba, Y, katsube, Y, Sugiyama, M.
Deposit date:2000-07-14
Release date:2001-07-18
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structure of prokaryotic phospholipase A2.
J.Biol.Chem., 277, 2002
8ZBO
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BU of 8zbo by Molmil
Crystal structure of the biphotochromic fluorescent protein moxSAASoti (F97M variant) in its green on-state
Descriptor: 1,2-ETHANEDIOL, F97M variant of the biphotochromic fluorescent protein moxSAASoti, NITRATE ION, ...
Authors:Boyko, K.M, Matyuta, I.O, Marynich, N.K, Minyaev, M.E, Khadiyatova, A.A, Popov, V.O, Savitsky, A.P.
Deposit date:2024-04-26
Release date:2024-06-12
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single-point substitution F97M leads to in cellulo crystallization of the biphotochromic protein moxSAASoti.
Biochem.Biophys.Res.Commun., 732, 2024
4KCB
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BU of 4kcb by Molmil
Crystal Structure of Exo-1,5-alpha-L-arabinanase from Bovine Ruminal Metagenomic Library
Descriptor: Arabinan endo-1,5-alpha-L-arabinosidase, PHOSPHATE ION
Authors:Santos, C.R, Polo, C.C, Costa, M.C.M.F, Nascimento, A.F.Z, Wong, D.W.S, Murakami, M.T.
Deposit date:2013-04-24
Release date:2014-02-05
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanistic strategies for catalysis adopted by evolutionary distinct family 43 arabinanases.
J.Biol.Chem., 289, 2014
4EO6
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BU of 4eo6 by Molmil
HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres
Descriptor: 5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid, RNA-directed RNA polymerase
Authors:Appleby, T.C, Canales, E, Watkins, W.J.
Deposit date:2012-04-13
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5GMZ
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BU of 5gmz by Molmil
Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine
Descriptor: (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2016-07-18
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
1NGM
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BU of 1ngm by Molmil
Crystal structure of a yeast Brf1-TBP-DNA ternary complex
Descriptor: 5'-D(*AP*AP*AP*AP*AP*AP*CP*AP*TP*TP*TP*TP*TP*TP*TP*AP*TP*AP*G)-3', 5'-D(*CP*TP*AP*TP*AP*AP*AP*AP*AP*AP*AP*TP*GP*TP*TP*TP*TP*TP*T)-3', Transcription factor IIIB BRF1 subunit, ...
Authors:Juo, Z.S, Kassavetis, G.A, Wang, J, Geiduschek, E.P, Sigler, P.B.
Deposit date:2002-12-17
Release date:2003-03-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of a transcription factor IIIB core interface ternary complex
Nature, 422, 2003
4KCA
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BU of 4kca by Molmil
Crystal Structure of Endo-1,5-alpha-L-arabinanase from a Bovine Ruminal Metagenomic Library
Descriptor: Endo-1,5-alpha-L-arabinanase, GLYCEROL, IODIDE ION, ...
Authors:Santos, C.R, Polo, C.C, Costa, M.C.M.F, Nascimento, A.F.Z, Wong, D.W.S, Murakami, M.T.
Deposit date:2013-04-24
Release date:2014-02-05
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic strategies for catalysis adopted by evolutionary distinct family 43 arabinanases.
J.Biol.Chem., 289, 2014
3IYH
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BU of 3iyh by Molmil
P22 procapsid coat protein structures reveal a novel mechanism for capsid maturation: Stability without auxiliary proteins or chemical cross-links
Descriptor: Coat protein
Authors:Parent, K.N, Khayat, R, Tu, L.H, Suhanovsky, M.M, Cortines, J.R, Teschke, C.M, Johnson, J.E, Baker, T.S.
Deposit date:2009-12-14
Release date:2010-03-31
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:P22 coat protein structures reveal a novel mechanism for capsid maturation: stability without auxiliary proteins or chemical crosslinks
Structure, 18, 2010
2LKN
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BU of 2lkn by Molmil
Solution structure of the PPIase domain of human aryl-hydrocarbon receptor-interacting protein (AIP)
Descriptor: AH receptor-interacting protein
Authors:Linnert, M, Lin, Y, Manns, A, Haupt, K, Paschke, A, Fischer, G, Weiwad, M, Luecke, C.
Deposit date:2011-10-17
Release date:2012-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The FKBP-Type Domain of the Human Aryl Hydrocarbon Receptor-Interacting Protein Reveals an Unusual Hsp90 Interaction.
Biochemistry, 52, 2013
3IYI
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BU of 3iyi by Molmil
P22 expanded head coat protein structures reveal a novel mechanism for capsid maturation: Stability without auxiliary proteins or chemical cross-links
Descriptor: P22 coat protein in procapsid shells
Authors:Parent, K.N, Khayat, R, Tu, L.H, Suhanovsky, M.M, Cortines, J.R, Teschke, C.M, Johnson, J.E, Baker, T.S.
Deposit date:2009-12-14
Release date:2010-03-31
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:P22 coat protein structures reveal a novel mechanism for capsid maturation: stability without auxiliary proteins or chemical crosslinks
Structure, 18, 2010
1PXU
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BU of 1pxu by Molmil
Crystal structure of chicken NtA from a eukaryotic source at 2.2A resolution
Descriptor: agrin
Authors:Stetefeld, J.
Deposit date:2003-07-07
Release date:2004-06-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and laminin-binding specificity of the NtA domain expressed in eukaryotic cells.
Matrix Biol., 23, 2005
1PJZ
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BU of 1pjz by Molmil
Solution structure of thiopurine methyltransferase from Pseudomonas syringae
Descriptor: Thiopurine S-methyltransferase
Authors:Scheuermann, T.H, Lolis, E, Hodsdon, M.E.
Deposit date:2003-06-04
Release date:2003-10-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Tertiary structure of thiopurine methyltransferase from Pseudomonas syringae, a bacterial orthologue of a polymorphic, drug-metabolizing enzyme
J.Mol.Biol., 333, 2003
4Y30
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BU of 4y30 by Molmil
Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and EPZ020411
Descriptor: GLYCEROL, MAGNESIUM ION, N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine, ...
Authors:Swinger, K.K, Boriack-Sjodin, P.A.
Deposit date:2015-02-10
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound.
Acs Med.Chem.Lett., 6, 2015
6IHX
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BU of 6ihx by Molmil
Crystal Structure Analysis of bovine Hemoglobin modified by SNP
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Kihira, K, Morita, Y, Yamada, T, Kureishi, M, Komatsu, T.
Deposit date:2018-10-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Quaternary Structure Analysis of a Hemoglobin Core in Hemoglobin-Albumin Cluster.
J Phys Chem B, 122, 2018
6JKU
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BU of 6jku by Molmil
Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ...
Authors:Manjunath, L, Bose, S, Subramanian, R.
Deposit date:2019-03-01
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida.
Proteins, 2020
1T4M
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BU of 1t4m by Molmil
STRUCTURE OF A THERMOSTABLE DOUBLE MUTANT OF BACILLUS SUBTILIS LIPASE OBTAINED THROUGH DIRECTED EVOLUTION
Descriptor: LIPASE A, POTASSIUM ION
Authors:Rajakumara, E, Sankaranarayanan, R.
Deposit date:2004-04-30
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of selection and thermostability of laboratory evolved Bacillus subtilis lipase
J.Mol.Biol., 341, 2004
3FW6
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BU of 3fw6 by Molmil
Crystal structure of CelM2, a bifunctional glucanase-xylanase protein from a metagenome library
Descriptor: Cellulase, ZINC ION
Authors:Hwang, K.Y, Nam, K.H.
Deposit date:2009-01-17
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of CelM2, a bifunctional glucanase-xylanase protein from a metagenome library
Biochem.Biophys.Res.Commun., 383, 2009
4J7A
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BU of 4j7a by Molmil
Crystal Structure of Est25 - a Bacterial Homolog of Hormone-Sensitive Lipase from a Metagenomic Library
Descriptor: Esterase
Authors:Ngo, T.D, Ryu, B.H, Ju, H.S, Jang, E.J, Park, K.S, Joo, S.B, Kim, K.K, Kim, D.H.
Deposit date:2013-02-13
Release date:2014-01-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.492 Å)
Cite:Structural and functional analyses of a bacterial homologue of hormone-sensitive lipase from a metagenomic library
Acta Crystallogr.,Sect.D, 69, 2014
3G49
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BU of 3g49 by Molmil
N-(Pyridin-2-yl) Arylsulfonamide Inhibitors of 11b-Hydroxysteroid Dehydrogenase Type 1: Discovery of PF-915275
Descriptor: 11-beta-hydroxysteroid dehydrogenase 1, 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pauly, T.A.
Deposit date:2009-02-03
Release date:2009-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275.
Bioorg.Med.Chem.Lett., 19, 2009
4ZFB
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BU of 4zfb by Molmil
Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid
Descriptor: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4ZFA
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BU of 4zfa by Molmil
Cytochrome P450 wild type from BM3 with bound PEG
Descriptor: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.765 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016

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