6ZUU
 
 | | Crystal structure of Thrombin in complex with compound30 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-23 | | Release date: | 2020-10-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
|
|
6ZV7
 | | Crystal Structure of Thrombin in complex with compound42b | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-24 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
|
|
6ZUN
 | | Crystal Structure of Thrombin in complex with compound20a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
|
|
6ZV8
 | | Crystal Structure of Thrombin in complex with compound51 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-24 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
|
|
6ZUX
 | | Crystal Structure of Thrombin in complex with compound42a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
|
|
8RI2
 | | Crystal structure of NLRP3 in complex with inhibitor NP3-562 | | Descriptor: | 2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Dekker, C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors.
J.Med.Chem., 67, 2024
|
|
8DIN
 | |
8DJ7
 | | The complex structure between human IgG1 Fc and its high affinity receptor FcgRI H174R variant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, High affinity immunoglobulin gamma Fc receptor I, Ig gamma-1 Fc chain, ... | | Authors: | Lu, J, Sun, P.D. | | Deposit date: | 2022-06-30 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Fc gamma RI FG-loop functions as a pH sensitive switch for IgG binding and release.
Front Immunol, 14, 2023
|
|
6ZUH
 | | Crystal Structure of Thrombin in complex with compound17 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin-2, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-22 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
|
|
6ZUW
 | | Crystal Structure of Thrombin in complex with compound40 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
|
|
8OW5
 | |
8OWB
 | |
8QFW
 | | Murine pyridoxal phosphatase in complex with 7,8-dihydroxyflavone | | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CITRIC ACID, Chronophin, ... | | Authors: | Schindelin, H, Gohla, A. | | Deposit date: | 2023-09-05 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
|
|
6YDD
 | | X-ray structure of LPMO. | | Descriptor: | COPPER (II) ION, LPMO lytic polysaccharide monooxygenase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Tandrup, T, Tryfona, T, Frandsen, K.E.H, Johansen, K.S, Dupree, P, Lo Leggio, L. | | Deposit date: | 2020-03-20 | | Release date: | 2020-09-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Oligosaccharide Binding and Thermostability of Two Related AA9 Lytic Polysaccharide Monooxygenases.
Biochemistry, 59, 2020
|
|
8DWA
 | |
8PWA
 | | Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA4) | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A. | | Deposit date: | 2023-07-19 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
|
|
8SEU
 | | Cryo-EM Structure of RyR1 (Local Refinement of TMD) | | Descriptor: | Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
|
|
8SER
 | | Cryo-EM Structure of RyR1 + Adenosine | | Descriptor: | ADENOSINE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
|
|
8SEP
 | | Cryo-EM Structure of RyR1 + ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
|
|
8SEV
 | | Cryo-EM Structure of RyR1 + ATP-gamma-S (Local Refinement of TMD) | | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
|
|
8SEQ
 | | Cryo-EM Structure of RyR1 + AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
|
|
8SEY
 | | Cryo-EM Structure of RyR1 + Adenosine (Local Refinement of TMD) | | Descriptor: | ADENOSINE, Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
|
|
8SEW
 | | Cryo-EM Structure of RyR1 + ADP (Local Refinement of TMD) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
|
|
8SF0
 | | Cryo-EM Structure of RyR1 + cAMP (Local Refinement of TMD) | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Ryanodine receptor 1, ZINC ION | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
|
|
8SES
 | | Cryo-EM Structure of RyR1 + Adenine | | Descriptor: | ADENINE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | | Deposit date: | 2023-04-10 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
|
|
