3CD8
 
 | | X-ray Structure of c-Met with triazolopyridazine Inhibitor. | | Descriptor: | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline, Hepatocyte growth factor receptor | | Authors: | Bellon, S.F, Albrecht, B.K, Harmange, J.-C, Bauer, D, Choquette, D, Dussault, I. | | Deposit date: | 2008-02-26 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
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9NZH
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7F6H
 | | Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and bradykinin | | Descriptor: | Bradykinin, Bradykinin receptor BK2R, CHOLESTEROL, ... | | Authors: | Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H. | | Deposit date: | 2021-06-25 | | Release date: | 2022-01-05 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of human bradykinin receptor-G q proteins complexes.
Nat Commun, 13, 2022
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9N3H
 | | Crystal structure of HBV capsid with compound 18 | | Descriptor: | Capsid protein, N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide | | Authors: | White, A, Lakshminarasimhan, D, Cakici, O, Suto, R. | | Deposit date: | 2025-01-31 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.543 Å) | | Cite: | Discovery of VNRX-9945, a Potent, Broadly Active Capsid Assembly Modulator as a Clinical Candidate for the Treatment of Chronic Hepatitis B Virus Infection
Acs Med.Chem.Lett., 2025
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7F6I
 | | Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and kallidin | | Descriptor: | Bradykinin receptor BK2R, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H. | | Deposit date: | 2021-06-25 | | Release date: | 2022-01-05 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of human bradykinin receptor-G q proteins complexes.
Nat Commun, 13, 2022
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9M2R
 | | Imidazole glycerol phosphate dehydratase from Mycobacterium tuberculosis, apo structure | | Descriptor: | Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION | | Authors: | Raina, R, Kar, D, Singla, M, Tiwari, S, Kumari, S, Aneja, S, Kumar, V, Banerjee, S, Goyal, S, Pal, R.K, Vinothkumar, K.R, Biswal, B.K. | | Deposit date: | 2025-02-28 | | Release date: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Cryo-EM structures of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase in the apo state and in the presence of small molecules.
Acta Crystallogr.,Sect.F, 2025
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9M2P
 | | Imidazole glycerol phosphate dehydratase from Mycobacterium tuberculosis, apo structure | | Descriptor: | Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION | | Authors: | Raina, R, Kar, D, Singla, M, Tiwari, S, Kumari, S, Aneja, S, Kumar, V, Banerjee, S, Goyal, S, Pal, R.K, Vinothkumar, K.R, Biswal, B.K. | | Deposit date: | 2025-02-28 | | Release date: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase in the apo state and in the presence of small molecules.
Acta Crystallogr.,Sect.F, 2025
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9LSM
 | | The crystal structure of PDE5A with L9 | | Descriptor: | 1-[(13~{S},15~{R})-4-bromanyl-15-(3-chloranyl-4-methoxy-phenyl)-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaen-12-yl]ethanone, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.-Y, Luo, H.-B. | | Deposit date: | 2025-02-04 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Plasma metabolites-based drug design: Discovery of novel and highly selective phosphodiesterase 5 inhibitors
Chin.Chem.Lett., 2025
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9QFU
 | | Human Tryptase beta-2 (hTPSB2) complexed with covalent inhibitor Compound #1 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Porta, A, Manelfi, C, Talarico, C, Beccari, A.R, Brindisi, M, Summa, V, Iaconis, D, Gobbi, M, Beeg, M. | | Deposit date: | 2025-03-12 | | Release date: | 2025-03-26 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Integrating Surface Plasmon Resonance and Docking Analysis for Mechanistic Insights of Tryptase Inhibitors.
Molecules, 30, 2025
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9UEQ
 | | Cryo-EM structure of CT-BCCP domain of Pyruvate carboxylase from Mycobacterium tuberculosis | | Descriptor: | BIOTIN, OXALATE ION, Pyruvate carboxylase, ... | | Authors: | Singh, A, Sharma, D, Raza, M, Singh, S, Das, U. | | Deposit date: | 2025-04-09 | | Release date: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of Pyruvate carboxylase from Mycobacterium tuberculosis in complex with Acetyl-CoA and ADP
To Be Published
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9NYI
 | | Structure of HalA in complex with oligodeoxyadenylate | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*A)-3'), Structure of HalA in complex with oligodeoxyadenylate | | Authors: | Tan, J.M.J, Melamed, S, Cofsky, J.C, Syangtan, D, Hobbs, S.J, Del Marmol, J, Jost, M, Kruse, A.C, Sorek, S, Kranzusch, P.J. | | Deposit date: | 2025-03-27 | | Release date: | 2025-05-07 | | Method: | ELECTRON MICROSCOPY (1.98 Å) | | Cite: | Structure of Hailong HalA in complex with oligodeoxyadenylate
To Be Published
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9R74
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9R73
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7ER6
 | | Crystal structure of human Biliverdin IX-beta reductase B | | Descriptor: | Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | | Deposit date: | 2021-05-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
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9MUK
 | | RlmR 23S rRNA methyltransferase from Thermus thermophilus | | Descriptor: | 23S rRNA methyltransferase, CITRIC ACID | | Authors: | Tanouti, Y, Roovers, M, Droogmans, L, Van Elder, D, Kruys, V, Labar, G. | | Deposit date: | 2025-01-14 | | Release date: | 2025-04-23 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.973 Å) | | Cite: | Structural insight into the novel Thermus thermophilus SPOUT methyltransferase RlmR catalysing Um2552 formation in the 23S rRNA A-loop: a case of convergent evolution.
Nucleic Acids Res., 53, 2025
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7ER9
 | | Crystal structure of human Biliverdin IX-beta reductase B with Febuxostat (TEI) | | Descriptor: | 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | | Deposit date: | 2021-05-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
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9NWB
 | | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-280-5I | | Descriptor: | (1R,2S,5S)-N-{(1S,2R)-1-hydroxy-1-(5-iodo-1,3-benzothiazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, ORF1a polyprotein | | Authors: | Bulut, H, Hayashi, H, Hattori, S, Li, M, Das, D, Wlodawer, A, Tamamura, H, Mitsuya, H. | | Deposit date: | 2025-03-21 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Impact of Single Halogen Atom Substitutions on Potency of Inhibitors Targeting SARS-CoV-2 Main Protease
To Be Published
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7ERE
 | | Crystal structure of human Biliverdin IX-beta reductase B with Pyrantel Pamoate (PPA) | | Descriptor: | 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | | Deposit date: | 2021-05-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
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9NWA
 | | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-277-5Cl | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-chloro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Bulut, H, Kuwata, N, Hayashi, H, Aoki, H, Das, D, Li, M, Wlodawer, A, Misumi, S, Tamamura, H, Mitsuya, H. | | Deposit date: | 2025-03-21 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Impact of Single Halogen Atom Substitutions on Potency of Inhibitors Targeting SARS-CoV-2 Main Protease
To Be Published
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7ERC
 | | Crystal structure of human Biliverdin IX-beta reductase B with Deferasirox (ICL) | | Descriptor: | 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | | Deposit date: | 2021-05-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
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9UBG
 | | Cryo-EM structure of Pyruvate carboxylase from Mycobacterium tuberculosis in complex with Acetyl-CoA and ADP | | Descriptor: | ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, Pyruvate carboxylase, ... | | Authors: | Singh, A, Sharma, D, Raza, M, Singh, S, Das, U. | | Deposit date: | 2025-04-03 | | Release date: | 2025-05-07 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structure of Pyruvate carboxylase from Mycobacterium tuberculosis in complex with Acetyl-CoA and ADP
To Be Published
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9L3T
 | | PPARgamma Ligand binding domain in complex with piperine | | Descriptor: | (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one, Peroxisome proliferator-activated receptor gamma | | Authors: | Egawa, D, Ishida, H, Katakawa, K. | | Deposit date: | 2024-12-19 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Molecular interactions between piperine and peroxisome proliferator-activated receptor gamma ligand-binding domain revealed using co-crystallization studies.
Acta Crystallogr.,Sect.F, 81, 2025
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7ER7
 | | Crystal structure of hyman Biliverdin IX-beta reductase B with Tamibarotene (A80) | | Descriptor: | 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | | Deposit date: | 2021-05-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
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7ERD
 | | Crystal structure of human Biliverdin IX-beta reductase B with Flunixin Meglumin (FMG) | | Descriptor: | 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | | Deposit date: | 2021-05-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
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7ER8
 | | Crystal structure of human Biliverdin IX-beta reductase B with Sulfasalazine (SAS) | | Descriptor: | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | | Deposit date: | 2021-05-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
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