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4JZE
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BU of 4jze by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
Descriptor: 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-02
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
4JZD
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BU of 4jzd by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
Descriptor: 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Jacobson, B.L, Anumula, R.
Deposit date:2013-04-02
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
3M7R
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BU of 3m7r by Molmil
Crystal structure of VDR H305Q mutant
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Vitamin D3 receptor
Authors:Rochel, N, Hourai, S, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2010-03-17
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of hereditary vitamin D-resistant rickets--associated mutant H305Q of vitamin D nuclear receptor bound to its natural ligand
J.Steroid Biochem.Mol.Biol., 121, 2010
6F8X
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BU of 6f8x by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-26g
Descriptor: 1,2-ETHANEDIOL, 2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide, DIMETHYL SULFOXIDE, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F9T
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BU of 6f9t by Molmil
Crystal structure of human testis Angiotensin-1 converting enzyme in complex with Sampatrilat.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2017-12-15
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity.
FEBS J., 285, 2018
1MVQ
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BU of 1mvq by Molmil
Cratylia mollis lectin (isoform 1) in complex with methyl-alpha-D-mannose
Descriptor: CALCIUM ION, MANGANESE (II) ION, lectin, ...
Authors:de Souza, G.A, Oliveira, P.S, Trapani, S, Correia, M.T, Oliva, G, Coelho, L.C, Greene, L.J.
Deposit date:2002-09-26
Release date:2003-10-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Amino acid sequence and tertiary structure of Cratylia mollis seed lectin
Glycobiology, 13, 2003
5TKK
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BU of 5tkk by Molmil
Structure of mouse vaccination-elicited HIV neutralizing antibody vFP5.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide residue 512-519, mouse antibody vFP5.01 heavy chain, mouse antibody vFP5.01 light chain
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2016-10-06
Release date:2018-04-04
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
1SN9
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BU of 1sn9 by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
Descriptor: tetrameric beta-beta-alpha mini-protein
Authors:Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
Deposit date:2004-03-10
Release date:2004-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture
Proc.Natl.Acad.Sci.USA, 101, 2004
1SNA
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BU of 1sna by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
Descriptor: ISOPROPYL ALCOHOL, tetrameric beta-beta-alpha mini-protein
Authors:Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
Deposit date:2004-03-10
Release date:2004-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1SNE
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BU of 1sne by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
Descriptor: ISOPROPYL ALCOHOL, tetrameric beta-beta-alpha mini-protein
Authors:Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
Deposit date:2004-03-10
Release date:2004-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5A8O
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BU of 5a8o by Molmil
Crystal structure of beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with cellotetraose
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
Deposit date:2015-07-16
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
6EZ4
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BU of 6ez4 by Molmil
NMR structure of the C-terminal domain of the human RPAP3 protein
Descriptor: RNA polymerase II-associated protein 3
Authors:Fabre, P, Chagot, M.E, Bragantini, B, Manival, X, Quinternet, M.
Deposit date:2017-11-14
Release date:2018-04-18
Last modified:2024-01-17
Method:SOLUTION NMR
Cite:The RPAP3-Cterminal domain identifies R2TP-like quaternary chaperones.
Nat Commun, 9, 2018
6MS3
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BU of 6ms3 by Molmil
Crystal structure of the GH43 protein BlXynB mutant (K247S) from Bacillus licheniformis
Descriptor: CALCIUM ION, GLYCEROL, Glycoside Hydrolase Family 43, ...
Authors:Zanphorlin, L.M, Morais, M.A.B, Diogo, J.A, Murakami, M.T.
Deposit date:2018-10-16
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided design combined with evolutionary diversity led to the discovery of the xylose-releasing exo-xylanase activity in the glycoside hydrolase family 43.
Biotechnol. Bioeng., 116, 2019
6Q6M
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BU of 6q6m by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
5A94
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BU of 5a94 by Molmil
Crystal structure of beta-Glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A, form 1
Descriptor: CHLORIDE ION, MAGNESIUM ION, PUTATIVE RETAINING B-GLYCOSIDASE, ...
Authors:Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
Deposit date:2015-07-17
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
6MOB
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BU of 6mob by Molmil
Crystal structure of KIT1 in complex with DP2976 via co-crystallization
Descriptor: Mast/stem cell growth factor receptor Kit, N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea, NITRATE ION
Authors:Edwards, T.E, Abendroth, J, Safford, K, Chun, L.
Deposit date:2018-10-04
Release date:2019-07-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ripretinib (DCC-2618) Is a Switch Control Kinase Inhibitor of a Broad Spectrum of Oncogenic and Drug-Resistant KIT and PDGFRA Variants.
Cancer Cell, 35, 2019
6MRM
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BU of 6mrm by Molmil
Red Clover Necrotic Mosaic Virus
Descriptor: CALCIUM ION, Capsid protein
Authors:Sherman, M.B, Smith, T.J.
Deposit date:2018-10-14
Release date:2019-10-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Near-Atomic-Resolution Cryo-Electron Microscopy Structures of Cucumber Leaf Spot Virus and Red Clover Necrotic Mosaic Virus: Evolutionary Divergence at the Icosahedral Three-Fold Axes.
J.Virol., 94, 2020
6MWE
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BU of 6mwe by Molmil
CRYSTAL STRUCTURE OF TIE2 IN COMPLEX WITH DECIPERA COMPOUND DP1919
Descriptor: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Angiopoietin-1 receptor, SULFATE ION
Authors:Chun, L, Abendroth, J, Edwards, T.E.
Deposit date:2018-10-29
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Selective Tie2 Inhibitor Rebastinib Blocks Recruitment and Function of Tie2
Mol. Cancer Ther., 16, 2017
2B7C
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BU of 2b7c by Molmil
Yeast guanine nucleotide exchange factor eEF1Balpha K205A mutant in complex with eEF1A
Descriptor: Elongation factor 1-alpha, elongation factor-1 beta
Authors:Pittman, Y.R, Valente, L, Jeppesen, M.G, Andersen, G.R, Patel, S, Kinzy, T.G.
Deposit date:2005-10-04
Release date:2006-05-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mg2+ and a key lysine modulate exchange activity of eukaryotic translation elongation factor 1B alpha
J.Biol.Chem., 281, 2006
5A8M
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BU of 5a8m by Molmil
Crystal structure of the selenomethionine derivative of beta-glucanase SdGluc5_26A from Saccharophagus degradans
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
Deposit date:2015-07-16
Release date:2016-01-20
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
5AA7
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BU of 5aa7 by Molmil
Structural and functional characterization of a chitin-active 15.5 kDa lytic polysaccharide monooxygenase domain from a modular chitinase from Jonesia denitrificans
Descriptor: CHITINASE, COPPER (I) ION
Authors:Mekasha, S, Forsberg, Z, Dalhus, B, Choudhary, S, Schmidt-Dannert, C, Vaaje-Kolstad, G, Eijsink, V.
Deposit date:2015-07-23
Release date:2015-12-09
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and Functional Characterization of a Small Chitin-Active Lytic Polysaccharide Monooxygenase Domain of a Multi-Modular Chitinase from Jonesia Denitrificans.
FEBS Lett., 590, 2016
6GDA
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BU of 6gda by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form soaked with Spermine
Descriptor: Cytochrome c iso-1, HEME C, SPERMINE, ...
Authors:Rennie, M.L, Fox, G.C, Crowley, P.B.
Deposit date:2018-04-23
Release date:2019-05-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Tuning Protein Frameworks via Auxiliary Supramolecular Interactions.
Acs Nano, 13, 2019
1FXU
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BU of 1fxu by Molmil
PURINE NUCLEOSIDE PHOSPHORYLASE FROM CALF SPLEEN IN COMPLEX WITH N(7)-ACYCLOGUANOSINE INHIBITOR AND A PHOSPHATE ION
Descriptor: 2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Luic, M, Bzowska, A, Shugar, D, Saenger, W, Koellner, G.
Deposit date:2000-09-27
Release date:2000-10-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calf spleen purine nucleoside phosphorylase: structure of its ternary complex with an N(7)-acycloguanosine inhibitor and a phosphate anion.
Acta Crystallogr.,Sect.D, 57, 2001
5A95
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BU of 5a95 by Molmil
Crystal structure of beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A, form 2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
Deposit date:2015-07-17
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
4WQP
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BU of 4wqp by Molmil
Crystal structure of RORc in complex with a benzyl sulfonamide inverse agonist
Descriptor: N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma, SULFATE ION, ...
Authors:Boenig, G, Hymowitz, S.G.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
Acs Med.Chem.Lett., 6, 2015

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