2QNV
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![BU of 2qnv by Molmil](/molmil-images/mine/2qnv) | Crystal Structure of the Pregnane X Receptor bound to Colupulone | Descriptor: | 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, Orphan nuclear receptor PXR | Authors: | Teotico, D.G, Bischof, J, Redinbo, M.R. | Deposit date: | 2007-07-19 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Pregnane X Receptor bound to Colupulone TO BE PUBLISHED
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8PNL
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![BU of 8pnl by Molmil](/molmil-images/mine/8pnl) | Outward-open conformation of a Major Facilitator Superfamily (MFS) transporter MHAS2168, a homologue of Rv1410 from M. tuberculosis, in complex with an alpaca nanobody | Descriptor: | Nb_H2, Putative triacylglyceride transporter | Authors: | Remm, S, Schoeppe, J, Hutter, C.A.J, Gonda, I, Seeger, M.A. | Deposit date: | 2023-06-30 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for triacylglyceride extraction from mycobacterial inner membrane by MFS transporter Rv1410. Nat Commun, 14, 2023
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4K5C
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4K5A
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![BU of 4k5a by Molmil](/molmil-images/mine/4k5a) | Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W | Descriptor: | Bcl-2-like protein 2, Designed Ankyrin Repeat Protein 013_D12 | Authors: | Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A. | Deposit date: | 2013-04-14 | Release date: | 2014-04-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W J.Mol.Biol., 426, 2014
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4K5B
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![BU of 4k5b by Molmil](/molmil-images/mine/4k5b) | Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W | Descriptor: | Apoptosis regulator BCL-W, Bcl-2-like protein 2 | Authors: | Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A. | Deposit date: | 2013-04-14 | Release date: | 2014-04-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W J.Mol.Biol., 426, 2014
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1OBO
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![BU of 1obo by Molmil](/molmil-images/mine/1obo) | W57L flavodoxin from Anabaena | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION | Authors: | Romero, A, Ramon, A, Fernandez-Cabrera, C, Irun, M.P, Sancho, J. | Deposit date: | 2003-01-31 | Release date: | 2003-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | How Fmn Binds to Anabaena Apoflavodoxin: A Hydrophobic Encounter at an Open Binding Site J.Biol.Chem., 278, 2003
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1OBV
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![BU of 1obv by Molmil](/molmil-images/mine/1obv) | Y94F flavodoxin from Anabaena | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION | Authors: | Romero, A, Ramon, A, Fernandez-Cabrera, C, Irun, M.P, Sancho, J. | Deposit date: | 2003-01-31 | Release date: | 2003-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | How Fmn Binds to Anabaena Apoflavodoxin: A Hydrophobic Encounter at an Open Binding Site J.Biol.Chem., 278, 2003
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1DX9
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![BU of 1dx9 by Molmil](/molmil-images/mine/1dx9) | W57A Apoflavodoxin from Anabaena | Descriptor: | Flavodoxin, SULFATE ION | Authors: | Romero, A, Sancho, J. | Deposit date: | 1999-12-23 | Release date: | 2000-04-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Dissecting the Energetics of the Apoflavodoxin-Fmn Complex J.Biol.Chem., 275, 2000
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1G8L
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![BU of 1g8l by Molmil](/molmil-images/mine/1g8l) | CRYSTAL STRUCTURE OF ESCHERICHIA COLI MOEA | Descriptor: | GLYCEROL, MOLYBDOPTERIN BIOSYNTHESIS MOEA PROTEIN | Authors: | Xiang, S, Nichols, J, Rajagopalan, K.V, Schindelin, H. | Deposit date: | 2000-11-17 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The crystal structure of Escherichia coli MoeA and its relationship to the multifunctional protein gephyrin. Structure, 9, 2001
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1G8R
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![BU of 1g8r by Molmil](/molmil-images/mine/1g8r) | MOEA | Descriptor: | GLYCEROL, MOLYBDOPTERIN BIOSYNTHESIS MOEA PROTEIN | Authors: | Xiang, S, Nichols, J, Rajagopalan, K.V, Schindelin, H. | Deposit date: | 2000-11-20 | Release date: | 2001-05-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The crystal structure of Escherichia coli MoeA and its relationship to the multifunctional protein gephyrin. Structure, 9, 2001
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1P8D
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![BU of 1p8d by Molmil](/molmil-images/mine/1p8d) | X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol | Descriptor: | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3 | Authors: | Williams, S, Bledsoe, R.K, Collins, J.L, Boggs, S, Lambert, M.H, Miller, A.B, Moore, J, McKee, D.D, Moore, L, Nichols, J, Parks, D, Watson, M, Wisely, B, Willson, T.M. | Deposit date: | 2003-05-06 | Release date: | 2003-07-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by
a histidine-tryptophan switch. J.Biol.Chem., 278, 2003
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8TVA
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![BU of 8tva by Molmil](/molmil-images/mine/8tva) | Outer Mat-T4P complex | Descriptor: | Fimbrial protein, Maturation protein | Authors: | Meng, R, Xing, Z, Thongchol, J, Zhang, J. | Deposit date: | 2023-08-17 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (8.55 Å) | Cite: | Structural basis of Acinetobacter type IV pili targeting by an RNA virus. Nat Commun, 15, 2024
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8TV9
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![BU of 8tv9 by Molmil](/molmil-images/mine/8tv9) | Inner Mat-T4P complex | Descriptor: | Fimbrial protein, Maturation protein | Authors: | Meng, R, Xing, Z, Thongchol, J, Zhang, J. | Deposit date: | 2023-08-17 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (8.15 Å) | Cite: | Structural basis of Acinetobacter type IV pili targeting by an RNA virus. Nat Commun, 15, 2024
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1RUN
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![BU of 1run by Molmil](/molmil-images/mine/1run) | CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA COMPLEX + ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA (5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*TP*CP*G )-3'), DNA (5'-D(*GP*CP*GP*AP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3'), ... | Authors: | Parkinson, G.N, Gunasekera, A, Vojtechovsky, J, Zhang, X, Kunkel, T.A, Berman, H.M, Ebright, R.H. | Deposit date: | 1996-05-26 | Release date: | 1997-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Aromatic hydrogen bond in sequence-specific protein DNA recognition. Nat.Struct.Biol., 3, 1996
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7UOC
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![BU of 7uoc by Molmil](/molmil-images/mine/7uoc) | Crystal structure of Orobanche minor KAI2d4 | Descriptor: | CHLORIDE ION, KAI2d4 | Authors: | Burger, M, Chory, J. | Deposit date: | 2022-04-12 | Release date: | 2023-04-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Divergent Clade KAI2 Protein in the Root Parasitic Plant Orobanche minor Is a Highly Sensitive Strigolactone Receptor and Is Involved in the Perception of Sesquiterpene Lactones. Plant Cell.Physiol., 64, 2023
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1R1X
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![BU of 1r1x by Molmil](/molmil-images/mine/1r1x) | Crystal structure of oxy-human hemoglobin Bassett at 2.15 angstrom | Descriptor: | CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ... | Authors: | Abdulmalik, O, Safo, M.K, Lerner, N.B, Ochotorena, J, Dhaikin, Y, Abraham, D.J, Asakura, T. | Deposit date: | 2003-09-25 | Release date: | 2003-10-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Characterization of hemoglobin bassett (alpha94Asp-->Ala), a variant with very low oxygen affinity Am.J.Hematol., 77, 2004
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4C7K
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![BU of 4c7k by Molmil](/molmil-images/mine/4c7k) | 11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor | Descriptor: | 2-ethyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-4-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Goldberg, F.W, Dossetter, A.G, Scott, J.S, Robb, G.R, Boyd, S, Groombridge, S.D, Kemmitt, P.D, Sjogren, T, Morentin Gutierrez, P, de Schoolmeester, J, Swales, J.G, Turnbull, A.V, Wild, M.J. | Deposit date: | 2013-09-23 | Release date: | 2014-03-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Optimization of Brain Penetrant 11Beta-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet- Induced Obese Mice. J.Med.Chem., 57, 2014
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1R1Y
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![BU of 1r1y by Molmil](/molmil-images/mine/1r1y) | Crystal structure of deoxy-human hemoglobin Bassett at 1.8 angstrom | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Abdulmalik, O, Safo, M.K, Lerner, N.B, Ochotorena, J, Dhaikin, Y, Abraham, D.J, Asakura, T. | Deposit date: | 2003-09-25 | Release date: | 2003-10-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of hemoglobin bassett (alpha94Asp-->Ala), a variant with very low oxygen affinity Am.J.Hematol., 77, 2004
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4C7J
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![BU of 4c7j by Molmil](/molmil-images/mine/4c7j) | 11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor | Descriptor: | 4-cyclopropyl-2-(2-hydroxyethyloxy)-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Goldberg, F.W, Dossetter, A.G, Scott, J.S, Robb, G.R, Boyd, S, Groombridge, S.D, Kemmitt, P.D, Sjogren, T, Morentin Gutierrez, P, de Schoolmeester, J, Swales, J.G, Turnbull, A.V, Wild, M.J. | Deposit date: | 2013-09-23 | Release date: | 2014-09-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Optimization of Brain Penetrant 11Beta-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet- Induced Obese Mice. J.Med.Chem., 57, 2014
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3TTI
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![BU of 3tti by Molmil](/molmil-images/mine/3tti) | Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
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3F23
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![BU of 3f23 by Molmil](/molmil-images/mine/3f23) | Crystal structure of Zalpha in complex with d(CGGCCG) | Descriptor: | DNA (5'-D(*DTP*DCP*DGP*DGP*DCP*DCP*DG)-3'), Double-stranded RNA-specific adenosine deaminase | Authors: | Ha, S.C, Choi, J, Kim, K.K. | Deposit date: | 2008-10-28 | Release date: | 2008-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structures of non-CG-repeat Z-DNAs co-crystallized with the Z-DNA-binding domain, hZ{alpha}ADAR1 Nucleic Acids Res., 37, 2009
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4LGW
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![BU of 4lgw by Molmil](/molmil-images/mine/4lgw) | Crystal structure of Escherichia coli SdiA in the space group P6522 | Descriptor: | GLYCEROL, Regulatory protein SdiA | Authors: | Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K. | Deposit date: | 2013-06-28 | Release date: | 2014-03-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor Acta Crystallogr.,Sect.D, 70, 2014
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1O3R
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![BU of 1o3r by Molmil](/molmil-images/mine/1o3r) | PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | Authors: | Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M. | Deposit date: | 2003-03-18 | Release date: | 2003-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: DNA Binding Specificity Based on Energetics of DNA Kinking J.Mol.Biol., 314, 2001
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1O3Q
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![BU of 1o3q by Molmil](/molmil-images/mine/1o3q) | PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | Authors: | Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M. | Deposit date: | 2003-03-18 | Release date: | 2003-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: DNA Binding Specificity Based on Energetics of DNA Kinking J.Mol.Biol., 314, 2001
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2JO1
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![BU of 2jo1 by Molmil](/molmil-images/mine/2jo1) | Structure of the Na,K-ATPase regulatory protein FXYD1 in micelles | Descriptor: | Phospholemman | Authors: | Teriete, P, Franzin, C.M, Choi, J, Marassi, F.M. | Deposit date: | 2007-02-18 | Release date: | 2007-07-31 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Structure of the Na,K-ATPase regulatory protein FXYD1 in micelles Biochemistry, 46, 2007
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