7EEB
 
 | | Structure of the CatSpermasome | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, J.P, Ke, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-07-28 | | Last modified: | 2021-08-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure of a mammalian sperm cation channel complex.
Nature, 595, 2021
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8WA3
 | | Cryo-EM structure of peptide free and Gs-coupled GIPR | | Descriptor: | Gastric inhibitory polypeptide receptor,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,O-antigen polymerase, ... | | Authors: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | | Deposit date: | 2023-09-06 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
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8WG7
 | | Cryo-EM structures of peptide free and Gs-coupled GLP-1R | | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | | Deposit date: | 2023-09-20 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
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8WG8
 | | Cryo-EM structures of peptide free and Gs-coupled GCGR | | Descriptor: | Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | | Deposit date: | 2023-09-20 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
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8CJT
 | | JzTx-34 toxin peptide W33A mutant | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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8CJP
 | | JzTx-34 toxin peptide H18A mutant | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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8CJS
 | | JzTx-34 toxin peptide W31A mutant | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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8CIQ
 | | JzTx-34 toxin peptide | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-10 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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8CJR
 | | JzTx-34 toxin peptide W25A mutant | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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8CJQ
 | | JzTx-34 toxin peptide E20A mutant | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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4WVD
 | | Identification of a novel FXR ligand that regulates metabolism | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | | Authors: | Wang, R, Li, Y. | | Deposit date: | 2014-11-05 | | Release date: | 2015-02-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
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6S41
 | | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455 | | Descriptor: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Focken, T, Maskos, K, Griessner, A, Krapp, S. | | Deposit date: | 2019-06-26 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
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7Q6A
 | | Crystal structure of Chaetomium thermophilum C30S Ahp1 in post-reaction state | | Descriptor: | GLYCEROL, SULFATE ION, Thioredoxin domain-containing protein | | Authors: | Ravichandran, K.E, Wilk, P, Grudnik, P, Glatt, S. | | Deposit date: | 2021-11-05 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Embo J., 41, 2022
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7Q69
 | | Crystal structure of Chaetomium thermophilum C30S Ahp1 in the pre-reaction state | | Descriptor: | GLYCEROL, SULFATE ION, Thioredoxin domain-containing protein | | Authors: | Ravichandran, K.E, Wilk, P, Grudnik, P, Glatt, S. | | Deposit date: | 2021-11-05 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Embo J., 41, 2022
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7Q5N
 | | Crystal structure of Chaetomium thermophilum Ahp1-Urm1 complex | | Descriptor: | Thioredoxin domain-containing protein, Ubiquitin-related modifier 1, ZINC ION | | Authors: | Ravichandran, K.E, Wilk, P, Grudnik, P, Glatt, S. | | Deposit date: | 2021-11-04 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Embo J., 41, 2022
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7Q68
 | | Crystal structure of Chaetomium thermophilum wild-type Ahp1 | | Descriptor: | GLYCEROL, SULFATE ION, Thioredoxin domain-containing protein | | Authors: | Ravichandran, K.E, Wilk, P, Grudnik, P, Glatt, S. | | Deposit date: | 2021-11-05 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Embo J., 41, 2022
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3MVM
 | | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V | | Descriptor: | 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2010-05-04 | | Release date: | 2010-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
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3MVL
 | | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K | | Descriptor: | 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2010-05-04 | | Release date: | 2010-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
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7CL8
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8WA7
 | | E.coli transketolase soaked with donor ketose D-fructose | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, ... | | Authors: | Liu, Z, Dai, S, Tittmann, K. | | Deposit date: | 2023-09-07 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis
Acs Catalysis, 14, 2024
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8WA8
 | | Human transketolase in complex with phosphite | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PHOSPHITE ION, ... | | Authors: | Liu, Z, Tittmann, K, Dai, S. | | Deposit date: | 2023-09-07 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis
Acs Catalysis, 14, 2024
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8WA9
 | | Human transketolase soaked with donor ketose D-fructose | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Liu, Z, Tittmann, K, Dai, S. | | Deposit date: | 2023-09-07 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis
Acs Catalysis, 14, 2024
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8WAA
 | | Human transketolase soaked with donor ketose D-xylulose | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Liu, Z, Dai, S, Tittmann, K. | | Deposit date: | 2023-09-07 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis
Acs Catalysis, 14, 2024
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | Deposit date: | 2016-12-08 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
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1PRO
 | | HIV-1 PROTEASE DIMER COMPLEXED WITH A-98881 | | Descriptor: | (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE, HIV-1 PROTEASE | | Authors: | Park, C.H, Kong, X.P, Dealwis, C.G. | | Deposit date: | 1995-07-18 | | Release date: | 1996-08-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease.
J.Med.Chem., 39, 1996
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