8CK6
 
 | | Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | | 分子名称: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Kopecny, D, Briozzo, P, Morera, S. | | 登録日 | 2023-02-14 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 2024
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8CK4
 | | STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol | | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | 著者 | Musil, D. | | 登録日 | 2023-02-14 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
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8CJY
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S357T | | 分子名称: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | | 著者 | Brocks, C, Duan, J, Hofmann, E, Happe, T. | | 登録日 | 2023-02-13 | | 公開日 | 2023-10-25 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases.
Chemsuschem, 17, 2024
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8CJO
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-004 | | 分子名称: | 1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.86633706 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJN
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-070 | | 分子名称: | 3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.68080938 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJM
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-047 | | 分子名称: | 7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJL
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor TPT-004 | | 分子名称: | 3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJK
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098 | | 分子名称: | 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45914972 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJJ
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-057 | | 分子名称: | 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.66415656 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJI
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052 | | 分子名称: | FE (III) ION, Tryptophan 5-hydroxylase 1, methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate | | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJH
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8CJ9
 | | Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | | 分子名称: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Kopecny, D, Briozzo, P, Morera, S. | | 登録日 | 2023-02-12 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 2024
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8CJ7
 | | HDAC6 selective degraded (difluoromethyl)-1,3,4-oxadiazole substrate inhibitor | | 分子名称: | 6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide, Histone deacetylase 6, IODIDE ION, ... | | 著者 | Sandmark, J, Ek, M, Ripa, L. | | 登録日 | 2023-02-12 | | 公開日 | 2023-10-18 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism.
J.Med.Chem., 66, 2023
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8CJ2
 | | Urea-based foldamer inhibitor c3u_5 chimera in complex with ASF1 histone chaperone | | 分子名称: | GLYCEROL, Histone chaperone ASF1A, SULFATE ION, ... | | 著者 | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | 登録日 | 2023-02-11 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.127 Å) | | 主引用文献 | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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8CIY
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-Griselimycin. | | 分子名称: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | | 著者 | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | 登録日 | 2023-02-11 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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8CIX
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin. | | 分子名称: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | | 著者 | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | 登録日 | 2023-02-11 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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8CIW
 | | Methylsuccinyl-CoA dehydrogenase from Pseudomonas migulae with bound FAD and (2S)-methylsuccinyl-CoA | | 分子名称: | (2S)-Methylsuccinyl-CoA, (2S)-methylsuccinyl-CoA dehydrogenase, CITRATE ANION, ... | | 著者 | Zarzycki, J, McLean, R, Erb, T.J. | | 登録日 | 2023-02-10 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Exploring alternative pathways for the in vitro establishment of the HOPAC cycle for synthetic CO 2 fixation.
Sci Adv, 9, 2023
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8CIU
 | | The FERM domain of human moesin mutant H288A | | 分子名称: | Moesin | | 著者 | Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-02-10 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.393 Å) | | 主引用文献 | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
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8CIT
 | | The FERM domain of human moesin mutant L281R | | 分子名称: | Moesin | | 著者 | Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-02-10 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.536 Å) | | 主引用文献 | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
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8CIR
 | | The FERM domain of human moesin with a bound peptide identified by phage display | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E. | | 登録日 | 2023-02-10 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
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8CIK
 | | Altai wapiti (Cervus elaphus sibiricus) chymosin at 2.2 A resolution | | 分子名称: | Chymosin, GLYCEROL | | 著者 | Diusenova, S.E, Shevtsov, M.B, Borshchevskiy, V.I, Belenkaya, S.V, Kolybalov, D.S, Arkhipov, S.G, Volosnikova, E.A, Elchaninov, V.V, Shcherbakov, D.N. | | 登録日 | 2023-02-09 | | 公開日 | 2023-03-08 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Altai wapiti (Cervus elaphus sibiricus) chymosin at 2.2 A resolution
To Be Published
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8CIJ
 | | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | | 分子名称: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1 | | 著者 | Musil, D, Toure, M. | | 登録日 | 2023-02-09 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.821 Å) | | 主引用文献 | Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
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8CIH
 | | Structure of FL CINP | | 分子名称: | Cyclin-dependent kinase 2-interacting protein, SODIUM ION | | 著者 | Foglizzo, M, Zeqiraj, E. | | 登録日 | 2023-02-09 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity.
Cell, 187, 2024
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8CIG
 | | Crystal structure of an 8-repeat consensus TPR superhelix in tris Buffer with Calcium. | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | | 登録日 | 2023-02-09 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
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8CIC
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with clinical candidate Etrumadenant | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ... | | 著者 | Cheng, R.K.Y, Markovic-Mueller, S, Hennig, M. | | 登録日 | 2023-02-09 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | | 主引用文献 | Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction.
Commun Chem, 6, 2023
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