8FY8
 
 | | 5-MeO-DMT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | | 分子名称: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | | 登録日 | 2023-01-25 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | | 主引用文献 | Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
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8FYT
 | | LSD-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | | 分子名称: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | | 登録日 | 2023-01-26 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.64 Å) | | 主引用文献 | Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
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8FYL
 | | Vilazodone-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | | 分子名称: | 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | | 登録日 | 2023-01-26 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | | 主引用文献 | Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
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8FYX
 | | Buspirone-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | | 分子名称: | Buspirone, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | | 登録日 | 2023-01-26 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | | 主引用文献 | Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
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7TIX
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56 | | 分子名称: | 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | 著者 | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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8T48
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8TCD
 | | Structure of Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1 | | 分子名称: | ACETATE ION, COBALT (II) ION, GLYCEROL, ... | | 著者 | Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. | | 登録日 | 2023-06-30 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
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6QAD
 | | Human Butyrylcholinesterase in complex with ((S)-2-(butylamino)-N-(2-(4-(dimethylamino)cyclohexyl)ethyl)-3-(1H-indol-3-yl)propanamide | | 分子名称: | (2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.497 Å) | | 主引用文献 | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55, 2019
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6Q54
 | | Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(1-ethyl-4-hydroxy-1H-1,2,3-triazol-5-yl)propanoic acid at 1.4 A resolution | | 分子名称: | (2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid, CHLORIDE ION, CITRIC ACID, ... | | 著者 | Moellerud, S, Temperini, P, Kastrup, J.S. | | 登録日 | 2018-12-07 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands.
J.Med.Chem., 62, 2019
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4BKO
 | | Enoyl-ACP reducatase FabV from Burkholderia pseudomallei (apo) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PUTATIVE REDUCTASE BURPS305_1051, ... | | 著者 | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | 登録日 | 2013-04-29 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Point Mutation Changes Substrate Binding Mechanism and Inhibitor Specificity of Yersinia Pestis Enoyl- Acp Reductase Fabv
To be Published
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4BKR
 | | Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | 登録日 | 2013-04-29 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
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4RTI
 | | The crystal structure of PsbP from Spinacia oleracea | | 分子名称: | CHLORIDE ION, MANGANESE (II) ION, Oxygen-evolving enhancer protein 2, ... | | 著者 | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | | 登録日 | 2014-11-15 | | 公開日 | 2015-03-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
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6QEC
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7UBO
 | | Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor CCD-956 | | 分子名称: | Bromodomain testis-specific protein, DIMETHYL SULFOXIDE, N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide | | 著者 | Ta, H.M, Modukuri, R.K, Yu, Z, Tan, Z, Matzuk, M.M, Kim, C. | | 登録日 | 2022-03-15 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Discovery of potent BET bromodomain 1 stereoselective inhibitors using DNA-encoded chemical library selections.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4I11
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | | 分子名称: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | | 著者 | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | | 登録日 | 2012-11-19 | | 公開日 | 2013-03-06 | | 最終更新日 | 2013-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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7XDU
 | | TtherAmDH-NAD+ | | 分子名称: | 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Chen, C, Qian, Y.Y, Pan, J, Bai, Y.P, Xu, J.H. | | 登録日 | 2022-03-28 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Stereoselective synthesis of chiral lactams via an engineered natural amine dehydrogenase.
To Be Published
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6GXJ
 | | X-ray structure of DiRu-1-encapsulated Apoferritin | | 分子名称: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | | 著者 | Pica, A, Ferraro, G, Merlino, A. | | 登録日 | 2018-06-27 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Encapsulation of the Dinuclear Trithiolato-Bridged Arene Ruthenium Complex Diruthenium-1 in an Apoferritin Nanocage: Structure and Cytotoxicity.
ChemMedChem, 14, 2019
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4RTH
 | | The crystal structure of PsbP from Zea mays | | 分子名称: | Membrane-extrinsic protein of photosystem II PsbP | | 著者 | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | | 登録日 | 2014-11-15 | | 公開日 | 2015-03-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
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4V5T
 | | X-ray structure of the Grapevine Fanleaf virus | | 分子名称: | COAT PROTEIN | | 著者 | Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C. | | 登録日 | 2011-02-01 | | 公開日 | 2014-07-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
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3V6T
 | | Crystal structure of the DNA-bound dHax3, a TAL effector, at 1.85 angstrom | | 分子名称: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), dHax3 | | 著者 | Deng, D, Yan, C.Y, Pan, X.J, Wang, J.W, Yan, N, Shi, Y.G. | | 登録日 | 2011-12-20 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural Basis for Sequence-Specific Recognition of DNA by TAL Effectors
Science, 2012
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4Z81
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6YK4
 | | Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-6-methyl-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.00A | | 分子名称: | (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, GLYCEROL, ... | | 著者 | Frydenvang, K, Kastrup, J.S. | | 登録日 | 2020-04-05 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.999 Å) | | 主引用文献 | Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
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6YK2
 | | Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin- 2,4(1H,3H)-dione at resolution 1.60A | | 分子名称: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, GLYCEROL, ... | | 著者 | Frydenvang, K, Kastrup, J.S. | | 登録日 | 2020-04-05 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.612 Å) | | 主引用文献 | Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
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8A39
 | | Crystal Structure of PaaX from Escherichia coli W | | 分子名称: | DNA-binding transcriptional repressor of phenylacetic acid degradation, aryl-CoA responsive, GLYCEROL, ... | | 著者 | Molina, R, Alba-Perez, A, Hermoso, J.A. | | 登録日 | 2022-06-07 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural characterization of PaaX, the main repressor of the phenylacetate degradation pathway in Escherichia coli W: A novel fold of transcription regulator proteins.
Int.J.Biol.Macromol., 254, 2024
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3ZO9
 | | The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis | | 分子名称: | CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D. | | 登録日 | 2013-02-21 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode.
Glycobiology, 23, 2013
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