PDB: 92638 resultsInfo pagesStatus searchChemie searchBIRD

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2XQ8	Pentameric ligand gated ion channel GLIC in complex with zinc ion (Zn2+) Descriptor: GLR4197 PROTEIN, ZINC ION Authors: Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. Deposit date: 2010-09-01 Release date: 2010-11-10 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.6 Å) Cite: Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel Nat.Struct.Mol.Biol., 17, 2010
2XQ9	Pentameric ligand gated ion channel GLIC mutant E221A in complex with tetraethylarsonium (TEAs) Descriptor: ARSENIC, GLR4197 PROTEIN Authors: Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. Deposit date: 2010-09-01 Release date: 2010-11-10 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel Nat.Struct.Mol.Biol., 17, 2010
1MNI	ALTERATION OF AXIAL COORDINATION BY PROTEIN ENGINEERING IN MYOGLOBIN. BIS-IMIDAZOLE LIGATION IN THE HIS64-->VAL(SLASH)VAL68-->HIS DOUBLE MUTANT Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE Authors: Krzywda, S, Wilkinson, A.J. Deposit date: 1995-01-11 Release date: 1995-04-20 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Alteration of axial coordination by protein engineering in myoglobin. Bisimidazole ligation in the His64-->Val/Val68-->His double mutant. J.Biol.Chem., 270, 1995
1E8C	Structure of MurE the UDP-N-acetylmuramyl tripeptide synthetase from E. coli Descriptor: 2,6-DIAMINOPIMELIC ACID, CHLORIDE ION, UDP-N-ACETYLMURAMOYLALANYL-D-GLUTAMATE--2,6-DIAMINOPIMELATE LIGASE, ... Authors: Gordon, E.J, Chantala, L, Dideberg, O. Deposit date: 2000-09-19 Release date: 2001-09-13 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of Udp-N-Acetylmuramoyl-L-Alanyl-D-Glutamate: Meso-Diaminopimelate Ligase from Escherichia Coli J.Biol.Chem., 276, 2001
1B9V	NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE Descriptor: 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Finley, J.B, Atigadda, V.R, Duarte, F, Zahao, J.J, Brouillette, W.J, Air, G.M, Luo, M. Deposit date: 1999-02-15 Release date: 1999-02-27 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
1B9S	NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID, CALCIUM ION, ... Authors: Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. Deposit date: 1999-02-15 Release date: 1999-02-26 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
4M3D	Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches Descriptor: 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR Authors: Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. Deposit date: 2013-08-06 Release date: 2014-06-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
4M3E	Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches Descriptor: 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR Authors: Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. Deposit date: 2013-08-06 Release date: 2014-06-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.109 Å) Cite: Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
1YT0	Crystal Structure of the Unliganded Form of GRP94, the ER Hsp90: Basis for Nucleotide-Induced Conformational Change, GRP94N(DELTA)41 APO CRYSTAL SOAKED WITH ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, Endoplasmin, MAGNESIUM ION, ... Authors: Dollins, D.E, Immormino, R.M, Gewirth, D.T. Deposit date: 2005-02-09 Release date: 2005-06-14 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure of Unliganded GRP94, the Endoplasmic Reticulum Hsp90: BASIS FOR NUCLEOTIDE-INDUCED CONFORMATIONAL CHANGE J.Biol.Chem., 280, 2005
4M3G	Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches Descriptor: 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide, HTH-type transcriptional regulator EthR Authors: Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. Deposit date: 2013-08-06 Release date: 2014-06-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
3A7U	Crystal structure of the bovine lipoyltransferase in its unliganded form Descriptor: Lipoyltransferase 1, mitochondrial Authors: Fujiwara, K, Hosaka, H, Nakagawa, A. Deposit date: 2009-10-05 Release date: 2010-01-19 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (3.44 Å) Cite: Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A. J.Biol.Chem., 285, 2010
3GKM	Insights into the Alkyl Peroxide Reduction Activity of Xanthomonas campestris Bacterioferritin Comigratory Protein from the Trapped Intermediate/Ligand Complex Structures Descriptor: Bacterioferritin comigratory protein, FORMIC ACID Authors: Liao, S.-J. Deposit date: 2009-03-11 Release date: 2009-06-16 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Insights into the alkyl peroxide reduction pathway of Xanthomonas campestris bacterioferritin comigratory protein from the trapped intermediate-ligand complex structures J.Mol.Biol., 390, 2009
4M3B	Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches Descriptor: 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR Authors: Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. Deposit date: 2013-08-06 Release date: 2014-06-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.001 Å) Cite: Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
4MH5	Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-glutamate Descriptor: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... Authors: Venskutonyte, R, Frydenvang, K, Gajhede, M, Kastrup, J.S. Deposit date: 2013-08-29 Release date: 2013-10-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Binding site and interlobe interactions of the ionotropic glutamate receptor GluK3 ligand binding domain revealed by high resolution crystal structure in complex with (S)-glutamate. J.Struct.Biol., 176, 2011
1EEH	UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE Descriptor: UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE Authors: Bertrand, J.A, Fanchon, E, Martin, L, Chantalat, L, Auger, G, Blanot, D, van Heijenoort, J, Dideberg, O. Deposit date: 2000-01-31 Release date: 2001-01-17 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: "Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase. J.Mol.Biol., 301, 2000
1BBH	ATOMIC STRUCTURE OF A CYTOCHROME C' WITH AN UNUSUAL LIGAND-CONTROLLED DIMER DISSOCIATION AT 1.8 ANGSTROMS RESOLUTION Descriptor: CYTOCHROME C', HEME C Authors: Ren, Z, Mcree, D.E. Deposit date: 1992-05-18 Release date: 1994-01-31 Last modified: 2021-03-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Atomic structure of a cytochrome c' with an unusual ligand-controlled dimer dissociation at 1.8 A resolution. J.Mol.Biol., 234, 1993
7V62	Crystal structure of human OSBP ORD in complex with cholesterol Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHOLESTEROL, CITRIC ACID, ... Authors: Kobayashi, J, Kato, R. Deposit date: 2021-08-19 Release date: 2022-06-08 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (3.25 Å) Cite: Ligand Recognition by the Lipid Transfer Domain of Human OSBP Is Important for Enterovirus Replication. Acs Infect Dis., 8, 2022
2A3A	Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline Descriptor: SULFATE ION, THEOPHYLLINE, chitinase Authors: Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. Deposit date: 2005-06-24 Release date: 2005-09-27 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
6RSS	Solution structure of the fourth WW domain of WWP2 with GB1-tag Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2 Authors: Wahl, L.C, Watt, J.E, Tolchard, J, Blumenschein, T.M.A, Chantry, A. Deposit date: 2019-05-22 Release date: 2019-10-09 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Smad7 Binds Differently to Individual and Tandem WW3 and WW4 Domains of WWP2 Ubiquitin Ligase Isoforms. Int J Mol Sci, 20, 2019
1H6X	The role of conserved amino acids in the cleft of the C-terminal family 22 carbohydrate binding module of Clostridium thermocellum Xyn10B in ligand binding Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE Y Authors: Xie, H, Bolam, D.N, Charnock, S.J, Davies, G.J, Williamson, M.P, Simpson, P.J, Fontes, C.M.G.A, Ferreira, L.M.A, Gilbert, H.J. Deposit date: 2001-06-29 Release date: 2002-06-27 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Clostridium Thermocellum Xyn10B Carbohydrate-Binding Module 22-2: The Role of Conserved Amino Acids in Ligand Binding Biochemistry, 40, 2001
1H6Y	The role of conserved amino acids in the cleft of the C-terminal family 22 carbohydrate binding module of Clostridium thermocellum Xyn10B in ligand binding Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE Y Authors: Xie, H, Bolam, D.N, Charnock, S.J, Davies, G.J, Williamson, M.P, Simpson, P.J, Fontes, C.M.G.A, Ferreira, L.M.A, Gilbert, H.J. Deposit date: 2001-06-29 Release date: 2002-06-27 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Clostridium Thermocellum Xyn10B Carbohydrate-Binding Module 22-2: The Role of Conserved Amino Acids in Ligand Binding Biochemistry, 40, 2001
2A3E	Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin Descriptor: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, SULFATE ION, ... Authors: Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. Deposit date: 2005-06-24 Release date: 2005-09-27 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
2A3B	Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine Descriptor: CAFFEINE, SULFATE ION, chitinase Authors: Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. Deposit date: 2005-06-24 Release date: 2005-09-27 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
2R2X	Ricin A-chain (recombinant) complex with Urea Descriptor: Ricin A chain, SULFATE ION, UREA Authors: Carra, J.H, McHugh, C.A, Mulligan, S, Machiesky, L.M, Soares, A.S, Millard, C.B. Deposit date: 2007-08-28 Release date: 2007-11-20 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Fragment-based identification of determinants of conformational and spectroscopic change at the ricin active site. Bmc Struct.Biol., 7, 2007
7Q43	Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of dedicator of cytokinesis protein 10 Descriptor: CITRIC ACID, Dedicator of cytokinesis protein 10 peptide, E3 ubiquitin-protein ligase HERC2 Authors: Demenge, A, Howard, E, Cousido-Siah, A, Mitschler, A, Podjarny, A, McEwen, A.G, Trave, G. Deposit date: 2021-10-29 Release date: 2022-11-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.40002346 Å) Cite: Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of dedicator of cytokinesis protein 10 To Be Published

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