4FCP
 
 | | Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | | Descriptor: | Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine | | Authors: | Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | | Deposit date: | 2012-05-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
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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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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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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
 | | 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
 | | 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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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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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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4Y7N
 | | The Structure Insight into 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, L, Chong, J, Wang, D. | | Deposit date: | 2015-02-15 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
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2Y2W
 | | Elucidation of the substrate specificity and protein structure of AbfB, a family 51 alpha-L-arabinofuranosidase from Bifidobacterium longum. | | Descriptor: | ARABINOFURANOSIDASE | | Authors: | Lagaert, S, Schoepe, J, Delcour, J.A, Lavigne, R, Strelkov, S.V, Courtin, C.M, Mikkelsen, N.E, Sandgren, M, Volckaert, G. | | Deposit date: | 2010-12-16 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Elucidation of the Substrate Specificity and Protein Structure of Abfb, a Family 51 Alpha-L- Arabinofuranosidase from Bifidobacterium Longum.
To be Published
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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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4Y52
 | | Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, L, Chong, J, Wang, D. | | Deposit date: | 2015-02-11 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
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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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3BG4
 | | The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor | | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | Authors: | Kim, H, Chu, T.T.T, Kim, D.Y, Kim, D.R, Nguyen, C.M.T, Choi, J, Lee, J.R, Hahn, M.J, Kim, K.K. | | Deposit date: | 2007-11-26 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor.
J.Mol.Biol., 376, 2008
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3KCX
 | | Factor inhibiting HIF-1 alpha in complex with Clioquinol | | Descriptor: | 5-chloro-7-iodoquinolin-8-ol, FE (II) ION, GLYCEROL, ... | | Authors: | Moon, H, Han, S, Choe, J. | | Deposit date: | 2009-10-22 | | Release date: | 2010-04-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of human FIH-1 in complex with quinol family inhibitors
Mol.Cells, 29, 2010
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3KCY
 | | Factor inhibiting HIF-1 alpha in complex with 8-hydroxyquinoline | | Descriptor: | FE (II) ION, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | Authors: | Moon, H, Han, S, Choe, J. | | Deposit date: | 2009-10-22 | | Release date: | 2010-04-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structures of human FIH-1 in complex with quinol family inhibitors
Mol.Cells, 29, 2010
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3KSL
 | | Structure of FPT bound to DATFP-DH-GPP | | Descriptor: | (2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate, Farnesyltransferase, CAAX box, ... | | Authors: | Hovlid, M.L, Edelstein, R.L, Henry, O, Ochocki, J, DeGraw, A, Lenevich, S, Talbot, T, Young, V, Hruza, A.W, Lopez-Gallego, F, Labello, N.P, Strickland, C.L, Schmidt-Dannert, C, Distefano, M.D. | | Deposit date: | 2009-11-23 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthesis, properties, and applications of diazotrifluropropanoyl-containing photoactive analogs of farnesyl diphosphate containing modified linkages for enhanced stability.
Chem.Biol.Drug Des., 75, 2010
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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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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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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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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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4Q4J
 | | Structure of crosslinked TM287/288_S498C_S520C mutant | | Descriptor: | ABC transporter, Uncharacterized ABC transporter ATP-binding protein TM_0288 | | Authors: | Hohl, M, Schoeppe, J, Gruetter, M.G, Seeger, M.A. | | Deposit date: | 2014-04-14 | | Release date: | 2014-07-16 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for allosteric cross-talk between the asymmetric nucleotide binding sites of a heterodimeric ABC exporter.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4P8V
 | | The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc2) were solved to resolutions of 1.5 angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | | Deposit date: | 2014-04-01 | | Release date: | 2014-12-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39).
J.Biol.Chem., 290, 2015
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4ANP
 | | Crystal structure of human phenylalanine hydroxylase in complex with a pharmacological chaperone | | Descriptor: | 5,6-DIMETHYL-3-(4-METHYL-2-PYRIDINYL)-2-THIOXO-2,3-DIHYDROTHIENO[2,3- D]PYRIMIDIN-4(1H)-ONE, FE (III) ION, PHENYLALANINE-4-HYDROXYLASE | | Authors: | Torreblanca, R, Lira-Navarrete, E, Sancho, J, Hurtado-Guerrero, R. | | Deposit date: | 2012-03-21 | | Release date: | 2012-04-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural and Mechanistic Basis of the Interaction between a Pharmacological Chaperone and Human Phenylalanine Hydroxylase.
Chembiochem, 13, 2012
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1QPS
 | | THE CRYSTAL STRUCTURE OF A POST-REACTIVE COGNATE DNA-ECO RI COMPLEX AT 2.50 A IN THE PRESENCE OF MN2+ ION | | Descriptor: | 5'-D(*AP*AP*TP*TP*CP*GP*CP*GP*)-3', 5'-D(*TP*CP*GP*CP*GP*)-3', ENDONUCLEASE ECORI, ... | | Authors: | Horvath, M, Choi, J, Kim, Y, Wilkosz, P, Rosenberg, J.M. | | Deposit date: | 1999-05-28 | | Release date: | 1999-06-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Integration of Recognition and Cleavage: X-Ray Structures of Pre- Transition State and Post-Reactive DNA-Eco RI Endonuclease Complexes
To be Published
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