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
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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
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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
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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
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1ZSL
 | | Factor XI complexed with a pyrimidinone inhibitor | | Descriptor: | 2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROPYLAMINO)-6-OXOPYRIMIDIN-1(6H)-YL)-N-((S)-1-OXO-1-(THIAZOL-2-YL)-5-GUANIDINOPENTAN-2-YL)ACETAMIDE, Coagulation factor XI | | Authors: | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R, Strickler, J, Abdel-Meguid, S. | | Deposit date: | 2005-05-24 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pyrimidinone Inhibitors of a Thrombolytic Protease
To be Published
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1ZTL
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with N-[4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6H-pyrimidin-1-yl}-acetamide | | Descriptor: | Coagulation factor XI, N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE, SULFATE ION | | Authors: | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R, Strickler, J.E, Abdel-Meguid, S.S. | | Deposit date: | 2005-05-27 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pyrimidinone Inhibitors of a Thrombolytic Protease
To be Published
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1ZTJ
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-Benzylamino-2-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide | | Descriptor: | 2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE, BICARBONATE ION, Coagulation factor XI, ... | | Authors: | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R.E, Strickler, J.E, Abdel-Meguid, S.S. | | Deposit date: | 2005-05-27 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pyrimidinone Inhibitors of a Thrombolytic Protease
To be Published
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1ZSJ
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with N-(7-Carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide | | Descriptor: | BICARBONATE ION, Coagulation factor XI, N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE, ... | | Authors: | Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M, Bibbins, F, Magee, S, Gorga, J, Babine, R.E, Strickler, J.E, Meyers, H.V, Abdel-Meguid, S.S. | | Deposit date: | 2005-05-24 | | Release date: | 2006-05-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series
To be Published
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1ZSK
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 6-Carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester | | Descriptor: | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER, BICARBONATE ION, Coagulation factor XI, ... | | Authors: | Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M, Bibbins, F, Magee, S, Gorga, J, Babine, R.E, Strickler, J.E, Meyers, H.V, Abdel-Meguid, S.S. | | Deposit date: | 2005-05-24 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series
To be Published
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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
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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: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design, Synthesis and Biological Evaluation of Peptidomimetic FXIa Inhibitors
To be Published
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1ZTK
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide | | Descriptor: | 2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE, Coagulation factor XI, SULFATE ION | | Authors: | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R.E, Strickler, J.E, Abdel-Meguid, S.S. | | Deposit date: | 2005-05-27 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Pyrimidinone Inhibitors of a Thrombolytic Protease
To be Published
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1ZLR
 | | Factor XI catalytic domain complexed with 2-guanidino-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl nicotinate | | Descriptor: | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE, Coagulation factor XI, GLYCEROL, ... | | Authors: | Lazarova, T.I, Jin, L, Rynkiewicz, M, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R, Strickler, J. | | Deposit date: | 2005-05-09 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 16, 2006
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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
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1YJ4
 | | Y305F Trichodiene Synthase | | Descriptor: | 1,2-ETHANEDIOL, Trichodiene synthase | | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-01-13 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
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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
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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
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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
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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
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9B3R
 | | The structure of human cardiac F-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | | Authors: | Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A. | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of human cardiac actin
To Be Published
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9B3Q
 | | The structure of the human cardiac F-actin mutant A331P | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | | Authors: | Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A. | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of human cardiac actin
To Be Published
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1D7T
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3M93
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3M94
 | | Complex crystal structure of Ascaris suum eIF4E-3 with m2,2,7G cap | | Descriptor: | ACETYL GROUP, Eukaryotic translation initiation factor 4E-binding protein 1, N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate), ... | | Authors: | Liu, W, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2010-03-19 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for nematode eIF4E binding an m2,2,7G-Cap and its implications for translation initiation.
Nucleic Acids Res., 39, 2011
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1DGP
 | | ARISTOLOCHENE SYNTHASE FARNESOL COMPLEX | | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, ARISTOLOCHENE SYNTHASE | | Authors: | Caruthers, J.M, Kang, I, Cane, D.E, Christianson, D.W. | | Deposit date: | 1999-11-24 | | Release date: | 2001-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure determination of aristolochene synthase from the blue cheese mold, Penicillium roqueforti.
J.Biol.Chem., 275, 2000
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