8ULD
| SARA CoV-2 3C-like protease in complex with GSK3487016A | 分子名称: | 1,2-ETHANEDIOL, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide, Replicase polyprotein 1a | 著者 | Williams, S.P, Concha, N.O. | 登録日 | 2023-10-16 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement. Bioorg.Med.Chem., 100, 2024
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1KR3
| Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050. | 分子名称: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ... | 著者 | Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | 登録日 | 2002-01-08 | 公開日 | 2003-01-08 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
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1NVQ
| The Complex Structure Of Checkpoint Kinase Chk1/UCN-01 | 分子名称: | 7-HYDROXYSTAUROSPORINE, Peptide ASVSA, SULFATE ION, ... | 著者 | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | 登録日 | 2003-02-04 | 公開日 | 2003-04-08 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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1NVR
| The Complex Structure Of Checkpoint Kinase Chk1/Staurosporine | 分子名称: | Peptide ASVSA, STAUROSPORINE, SULFATE ION, ... | 著者 | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | 登録日 | 2003-02-04 | 公開日 | 2003-04-08 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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1A8A
| RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOSERINE | 分子名称: | ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLSERINE | 著者 | Swairjo, M.A, Concha, N.O, Kaetzel, M.A, Dedman, J.R, Seaton, B.A. | 登録日 | 1998-03-23 | 公開日 | 1998-06-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V. Nat.Struct.Biol., 2, 1995
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1A8B
| RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOETHANOLAMINE | 分子名称: | ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE | 著者 | Swairjo, M.A, Concha, N.O, Kaetzel, M.A, Dedman, J.R, Seaton, B.A. | 登録日 | 1998-03-23 | 公開日 | 1998-06-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V. Nat.Struct.Biol., 2, 1995
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5DE1
| Crystal structure of human IDH1 in complex with GSK321A | 分子名称: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Concha, N.O, Smallwood, A, Qi, H. | 登録日 | 2015-08-25 | 公開日 | 2015-10-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nat.Chem.Biol., 11, 2015
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7T0O
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5KH5
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5KH4
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5KH2
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6DXL
| Linked amidobenzimidazole STING agonist | 分子名称: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | 著者 | Concha, N.O. | 登録日 | 2018-06-29 | 公開日 | 2018-11-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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6DXG
| amidobenzimidazole (ABZI) STING agonists | 分子名称: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | 著者 | Concha, N.O. | 登録日 | 2018-06-28 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | 主引用文献 | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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4L04
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4KZO
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4L03
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4L06
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8SYC
| Crystal structure of PDE3B in complex with GSK4394835A | 分子名称: | MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 著者 | Concha, N.O, Nolte, R. | 登録日 | 2023-05-25 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library. J.Med.Chem., 67, 2024
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7T0R
| Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ... | 著者 | Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X. | 登録日 | 2021-11-30 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | 主引用文献 | Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment. J.Mol.Biol., 434, 2021
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4ZNB
| METALLO-BETA-LACTAMASE (C181S MUTANT) | 分子名称: | METALLO-BETA-LACTAMASE, SODIUM ION, ZINC ION | 著者 | Li, Z, Herzberg, O. | 登録日 | 1998-10-20 | 公開日 | 1999-06-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural consequences of the active site substitution Cys181 --> Ser in metallo-beta-lactamase from Bacteroides fragilis. Protein Sci., 8, 1999
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