5FFT
| Crystal Structure of Surfactant Protein-A Y221A Mutant | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A | Authors: | Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X. | Deposit date: | 2015-12-18 | Release date: | 2016-07-06 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations. Biochemistry, 55, 2016
|
|
5FFR
| Crystal Structure of Surfactant Protein-A complexed with phosphocholine | Descriptor: | CALCIUM ION, PHOSPHOCHOLINE, Pulmonary surfactant-associated protein A, ... | Authors: | Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X. | Deposit date: | 2015-12-18 | Release date: | 2016-07-06 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations. Biochemistry, 55, 2016
|
|
3PAK
| Crystal Structure of Rat Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with Mannose | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A, SODIUM ION, ... | Authors: | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | Deposit date: | 2010-10-19 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change. J.Biol.Chem., 286, 2011
|
|
3PAQ
| Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with alpha-methylmannose | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A, SODIUM ION, ... | Authors: | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | Deposit date: | 2010-10-19 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change. J.Biol.Chem., 286, 2011
|
|
3PAR
| Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) in the absence of ligand | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A, SULFATE ION | Authors: | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | Deposit date: | 2010-10-19 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change. J.Biol.Chem., 286, 2011
|
|
1DI1
| CRYSTAL STRUCTURE OF ARISTOLOCHENE SYNTHASE FROM PENICILLIUM ROQUEFORTI | Descriptor: | ARISTOLOCHENE SYNTHASE | Authors: | Caruthers, J.M, Kang, I, Cane, D.E, Christianson, D.W, Rynkiewicz, M.J. | Deposit date: | 1999-11-28 | Release date: | 2000-08-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure determination of aristolochene synthase from the blue cheese mold, Penicillium roqueforti. J.Biol.Chem., 275, 2000
|
|
3PBF
| Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) complexed with glycerol | Descriptor: | CALCIUM ION, GLYCEROL, Pulmonary surfactant-associated protein A | Authors: | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | Deposit date: | 2010-10-20 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change. J.Biol.Chem., 286, 2011
|
|
4OTX
| Structure of the anti-Francisella tularensis O-antigen antibody N203 Fab fragment | Descriptor: | AZIDE ION, CHLORIDE ION, N203 heavy chain, ... | Authors: | Lu, Z, Rynkiewicz, M.J, Yang, C.-Y, Madico, G, Perkins, H.M, Roche, M.I, Seaton, B.A, Sharon, J. | Deposit date: | 2014-02-14 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Functional and Structural Characterization of Francisella tularensis O-Antigen Antibodies at the Low End of Antigen Reactivity. Monoclon Antib Immunodiagn Immunother, 33, 2014
|
|
4PB9
| Structure of the Fab fragment of the anti-Francisella tularensis GroEL antibody Ab64 | Descriptor: | Ab64 heavy chain, Ab64 light chain, SULFATE ION | Authors: | Lu, Z, Rynkiewicz, M.J, Seaton, B.A, Sharon, J. | Deposit date: | 2014-04-11 | Release date: | 2014-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | B-Cell Epitopes in GroEL of Francisella tularensis. Plos One, 9, 2014
|
|
4PB0
| Structure of the Fab fragment of the anti-Francisella tularensis GroEL antibody Ab53 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ab53 heavy chain, Ab53 light chain, ... | Authors: | Lu, Z, Rynkiewicz, M.J, Seaton, B.A, Sharon, J. | Deposit date: | 2014-04-10 | Release date: | 2014-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | B-Cell Epitopes in GroEL of Francisella tularensis. Plos One, 9, 2014
|
|
4M17
| Crystal Structure of Surfactant Protein-D D325A/R343V mutant | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D | Authors: | Goh, B.C, Rynkiewicz, M.J, Cafarella, T.R, White, M.R, Hartshorn, K.L, Allen, K, Crouch, E.C, Calin, O, Seeberger, P.H, Schulten, K, Seaton, B.A. | Deposit date: | 2013-08-02 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Molecular mechanisms of inhibition of influenza by surfactant protein d revealed by large-scale molecular dynamics simulation. Biochemistry, 52, 2013
|
|
8EFI
| Helical reconstruction of the human cardiac actin-tropomyosin-myosin complex in the rigor form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | Authors: | Doran, M.H, Lehman, W, Rynkiewicz, M.J. | Deposit date: | 2022-09-08 | Release date: | 2022-11-23 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Myosin loop-4 is critical for optimal tropomyosin repositioning on actin during muscle activation and relaxation. J.Gen.Physiol., 155, 2023
|
|
8ENC
| Helical reconstruction of the human cardiac actin-tropomyosin-myosin loop 4 7G mutant complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | Authors: | Doran, M.H, Lehman, W, Rynkiewicz, M.J. | Deposit date: | 2022-09-29 | Release date: | 2022-11-23 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Myosin loop-4 is critical for optimal tropomyosin repositioning on actin during muscle activation and relaxation. J.Gen.Physiol., 155, 2023
|
|
8EFE
| Human beta-cardiac myosin II bound to ADP-MG2+ and the associated essential light chain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Beta-cardiac myosin II, MAGNESIUM ION, ... | Authors: | Doran, M.H, Lehman, W, Rynkiewicz, M.J. | Deposit date: | 2022-09-08 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Conformational changes linked to ADP release from human cardiac myosin bound to actin-tropomyosin. J.Gen.Physiol., 155, 2023
|
|
8EFD
| |
8EFH
| Helical reconstruction of the human cardiac actin-tropomyosin-myosin complex in complex with ADP-Mg2+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | Authors: | Doran, M.H, Lehman, W, Rynkiewicz, M.J. | Deposit date: | 2022-09-08 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational changes linked to ADP release from human cardiac myosin bound to actin-tropomyosin. J.Gen.Physiol., 155, 2023
|
|
1YYT
| D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-azabisabolene | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | Deposit date: | 2005-02-25 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry, 44, 2005
|
|
1ZPC
| Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide | Descriptor: | 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, Coagulation factor XI, SULFATE ION | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-05-16 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine Bioorg.Med.Chem.Lett., 16, 2006
|
|
1YYR
| Y305F Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-azabisabolene | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | Deposit date: | 2005-02-25 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry, 44, 2005
|
|
1ZRK
| Factor XI complexed with 3-hydroxypropyl 3-(7-amidinonaphthalene-1-carboxamido)benzenesulfonate | Descriptor: | 3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE, Coagulation factor XI, SULFATE ION | Authors: | Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M.J, Bibbins, F, Magee, S, Gorga, J, Babine, R, Strickler, J. | Deposit date: | 2005-05-19 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series To be Published
|
|
1ZPZ
| Factor XI catalytic domain complexed with N-((R)-1-(4-bromophenyl)ethyl)urea-Asn-Val-Arg-alpha-ketothiazole | Descriptor: | Coagulation factor XI, N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]AMINO}CARBONYL)ASPARAGINYL-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[2,3-DIHYDRO-1,3-THIAZOL-2-YL(HYDROXY)METHYL]BUTYL}VALINAMIDE, SULFATE ION | Authors: | Lin, J, Deng, H, Jin, L, Prandey, P, Rynkiewicz, M.J, Bibbins, F, Cantin, S, Quinn, J, Magee, S, Gorga, J. | Deposit date: | 2005-05-18 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, Synthesis and Biological Evaluation of Peptidomimetic FXIa Inhibitors To be Published
|
|
1YYS
| Y305F Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4S)-7-azabisabolene | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | Deposit date: | 2005-02-25 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry, 44, 2005
|
|
1YYQ
| Y305F Trichodiene Synthase complexed with pyrophosphate | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, Trichodiene synthase | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | Deposit date: | 2005-02-25 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry, 44, 2005
|
|
1ZPB
| Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide | Descriptor: | 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, Coagulation factor XI, SULFATE ION | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-05-16 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine Bioorg.Med.Chem.Lett., 16, 2006
|
|
1YYU
| D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4S)-7-azabisabolene | Descriptor: | (1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, 1,2-ETHANEDIOL, ... | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | Deposit date: | 2005-02-25 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry, 44, 2005
|
|