PDB: 52677 resultsInfo pagesStatus searchChemie searchBIRD

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4P3R	Cryogenic WT DHFR, time-averaged ensemble Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Keedy, D.A, van den Bedem, H, Fraser, J.S. Deposit date: 2014-03-10 Release date: 2014-05-14 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
4P68	Electrostatics of Active Site Microenvironments for E. coli DHFR Descriptor: ACETATE ION, CALCIUM ION, Dihydrofolate reductase, ... Authors: Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. Deposit date: 2014-03-22 Release date: 2014-07-16 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase. J.Am.Chem.Soc., 136, 2014
2Q9I	Crystal Structure of D-Dimer from Human Fibrin Complexed with Met-His-Arg-Pro-Tyr-amide. Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrin B Knob (GHRPam), ... Authors: Doolittle, R.F, Pandi, L. Deposit date: 2007-06-12 Release date: 2007-12-11 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Probing the beta-chain hole of fibrinogen with synthetic peptides that differ at their amino termini Biochemistry, 46, 2007
1E5V	OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... Authors: Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. Deposit date: 2000-08-03 Release date: 2000-08-25 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family Biochemistry, 39, 2000
8EZD	Brain-derived 42-residue amyloid-beta fibril type A Descriptor: Beta-amyloid protein 42 Authors: Tycko, R, Lee, M, Yau, Y.-M, Louis, J.M. Deposit date: 2022-10-31 Release date: 2023-03-22 Last modified: 2024-06-19 Method: ELECTRON MICROSCOPY (2.83 Å) Cite: Structures of brain-derived 42-residue amyloid-beta fibril polymorphs with unusual molecular conformations and intermolecular interactions. Proc.Natl.Acad.Sci.USA, 120, 2023
8EZE	Brain-derived 42-residue amyloid-beta fibril type B Descriptor: Beta-amyloid protein 42 Authors: Tycko, R, Lee, M, Yau, Y.-M, Louis, J.M. Deposit date: 2022-10-31 Release date: 2023-03-22 Last modified: 2024-06-19 Method: ELECTRON MICROSCOPY (2.76 Å) Cite: Structures of brain-derived 42-residue amyloid-beta fibril polymorphs with unusual molecular conformations and intermolecular interactions. Proc.Natl.Acad.Sci.USA, 120, 2023
4O0S	Crystal structures of human kinase Aurora A Descriptor: ADENOSINE, Aurora kinase A Authors: Wang, J, Zhang, L, Ding, J. Deposit date: 2013-12-14 Release date: 2014-12-17 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinases To be Published
3B6H	Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil Descriptor: 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ... Authors: Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. Deposit date: 2007-10-29 Release date: 2007-11-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change J.Biol.Chem., 283, 2008
4O0W	Crystal structures of human kinase Aurora A Descriptor: ADENOSINE, Aurora kinase A Authors: Wang, J, Zhang, L, Ding, J. Deposit date: 2013-12-14 Release date: 2014-12-17 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinase To be Published
4NVI	Predicting protein conformational response in prospective ligand discovery. Descriptor: 3-bromoquinolin-4-amine, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVA	Predicting protein conformational response in prospective ligand discovery Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVL	Predicting protein conformational response in prospective ligand discovery. Descriptor: 1-(1H-benzimidazol-1-yl)propan-2-one, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.432 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVH	Predicting protein conformational response in prospective ligand discovery Descriptor: 3-nitroquinolin-4-amine, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
3B5X	Crystal Structure of MsbA from Vibrio cholerae Descriptor: Lipid A export ATP-binding/permease protein msbA Authors: Ward, A, Reyes, C.L, Yu, J, Roth, C.B, Chang, G. Deposit date: 2007-10-26 Release date: 2007-12-04 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (5.5 Å) Cite: Flexibility in the ABC transporter MsbA: Alternating access with a twist. Proc.Natl.Acad.Sci.Usa, 104, 2007
4A3B	RNA Polymerase II initial transcribing complex with a 4nt DNA-RNA hybrid Descriptor: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ... Authors: Cheung, A.C.M, Sainsbury, S, Cramer, P. Deposit date: 2011-09-30 Release date: 2011-12-07 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Structural basis of initial RNA polymerase II transcription. EMBO J., 30, 2011
4PAO	A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION Authors: Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. Deposit date: 2014-04-09 Release date: 2014-07-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.003 Å) Cite: A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit. J.Biol.Chem., 289, 2014
4P3Q	Room-temperature WT DHFR, time-averaged ensemble Descriptor: CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ... Authors: Keedy, D.A, van den Bedem, H, Fraser, J.S. Deposit date: 2014-03-10 Release date: 2014-05-14 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.351 Å) Cite: Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
6TRM	Solution structure of the antifungal protein PAFC Descriptor: Pc21g12970 protein Authors: Czajlik, A, Holzknecht, J, Marx, F, Batta, G. Deposit date: 2019-12-19 Release date: 2020-10-28 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Solution Structure, Dynamics, and New Antifungal Aspects of the Cysteine-Rich Miniprotein PAFC. Int J Mol Sci, 22, 2021
3B5Z	Crystal Structure of MsbA from Salmonella typhimurium with ADP Vanadate Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lipid A export ATP-binding/permease protein msbA, VANADATE ION Authors: Ward, A, Reyes, C.L, Yu, J, Roth, C.B, Chang, G. Deposit date: 2007-10-26 Release date: 2007-12-04 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (4.2 Å) Cite: Flexibility in the ABC transporter MsbA: Alternating access with a twist. Proc.Natl.Acad.Sci.Usa, 104, 2007
1CNR	CORRELATED DISORDER OF THE PURE PRO22(SLASH)LEU25 FORM OF CRAMBIN AT 150K REFINED TO 1.05 ANGSTROMS RESOLUTION Descriptor: CRAMBIN, ETHANOL Authors: Yamano, A, Teeter, M.M. Deposit date: 1993-07-15 Release date: 1994-08-31 Last modified: 2017-11-29 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Correlated disorder of the pure Pro22/Leu25 form of crambin at 150 K refined to 1.05-A resolution. J.Biol.Chem., 269, 1994
4BIX	Crystal structure of CpxAHDC (monoclinic form 1) Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SENSOR PROTEIN CPXA, ... Authors: Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. Deposit date: 2013-04-13 Release date: 2014-02-12 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
4PAM	A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... Authors: Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. Deposit date: 2014-04-09 Release date: 2014-07-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.101 Å) Cite: A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit. J.Biol.Chem., 289, 2014
3BI1	X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of methotrexate-Glu Descriptor: (2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Barinka, C, Lubkowski, J. Deposit date: 2007-11-29 Release date: 2008-01-15 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural basis of interactions between human glutamate carboxypeptidase II and its substrate analogs J.Mol.Biol., 376, 2008
4BBR	Structure of RNA polymerase II-TFIIB complex Descriptor: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ... Authors: Sainsbury, S, Niesser, J, Cramer, P. Deposit date: 2012-09-27 Release date: 2012-11-14 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Structure and Function of the Initially Transcribing RNA Polymerase II-TFIIB Complex Nature, 493, 2013
4BBS	Structure of an initially transcribing RNA polymerase II-TFIIB complex Descriptor: 5'-D(*AP*GP*CP*GP*CP*AP*GP*TP*TP*GP*TP*GP*CP*TP *AP*TP*GP*AP*TP*AP*TP*TP*TP*TP*TP*AP*TP)-3', 5'-D(*GP*GP*CP*AP*CP*AP*AP*CP*TP*GP*CP*GP*CP*TP)-3', 5'-R(*AP*UP*AP*UP*CP*AP)-3', ... Authors: Sainsbury, S, Niesser, J, Cramer, P. Deposit date: 2012-09-27 Release date: 2012-11-14 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.6 Å) Cite: Structure and Function of the Initially Transcribing RNA Polymerase II-TFIIB Complex Nature, 493, 2013

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