1DDK
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![BU of 1ddk by Molmil](/molmil-images/mine/1ddk) | CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA | 分子名称: | ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, ZINC ION | 著者 | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | 登録日 | 1999-11-10 | 公開日 | 2000-11-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor. Biochemistry, 39, 2000
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1DD6
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![BU of 1dd6 by Molmil](/molmil-images/mine/1dd6) | IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR | 分子名称: | (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, SULFATE ION, ... | 著者 | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | 登録日 | 1999-11-08 | 公開日 | 2000-11-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor. Biochemistry, 39, 2000
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1GFW
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![BU of 1gfw by Molmil](/molmil-images/mine/1gfw) | |
3E8C
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![BU of 3e8c by Molmil](/molmil-images/mine/3e8c) | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | 分子名称: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | 登録日 | 2008-08-19 | 公開日 | 2008-11-18 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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3E87
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![BU of 3e87 by Molmil](/molmil-images/mine/3e87) | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | 分子名称: | Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | 登録日 | 2008-08-19 | 公開日 | 2008-10-14 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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3E8D
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![BU of 3e8d by Molmil](/molmil-images/mine/3e8d) | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | 分子名称: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | 登録日 | 2008-08-19 | 公開日 | 2008-10-14 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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3E8E
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![BU of 3e8e by Molmil](/molmil-images/mine/3e8e) | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | 分子名称: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | 登録日 | 2008-08-19 | 公開日 | 2008-11-18 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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3E88
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![BU of 3e88 by Molmil](/molmil-images/mine/3e88) | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | 分子名称: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | 登録日 | 2008-08-19 | 公開日 | 2008-10-14 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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8SYC
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![BU of 8syc by Molmil](/molmil-images/mine/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
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![BU of 7t0r by Molmil](/molmil-images/mine/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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1HLK
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![BU of 1hlk by Molmil](/molmil-images/mine/1hlk) | METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR | 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, BETA-LACTAMASE, TYPE II, ... | 著者 | Payne, D.J, Hueso-Rodriguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Chever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Diez, E, Perez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | 登録日 | 2000-12-01 | 公開日 | 2001-11-30 | 最終更新日 | 2023-08-09 | 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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1KR3
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![BU of 1kr3 by Molmil](/molmil-images/mine/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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1A8A
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![BU of 1a8a by Molmil](/molmil-images/mine/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
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![BU of 1a8b by Molmil](/molmil-images/mine/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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8ULD
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![BU of 8uld by Molmil](/molmil-images/mine/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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3KKV
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![BU of 3kkv by Molmil](/molmil-images/mine/3kkv) | Structure of PKA with a protein Kinase B-selective inhibitor. | 分子名称: | (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine, PKI kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha | 著者 | Elkins, P.A, Concha, N.O. | 登録日 | 2009-11-06 | 公開日 | 2010-12-22 | 最終更新日 | 2014-12-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of PKA with a protein Kinase B-selective inhibitor. To be Published
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1NVQ
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![BU of 1nvq by Molmil](/molmil-images/mine/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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1NVS
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![BU of 1nvs by Molmil](/molmil-images/mine/1nvs) | The Complex Structure Of Checkpoint Kinase Chk1/SB218078 | 分子名称: | Peptide ASVSA, REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE, 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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1NVR
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![BU of 1nvr by Molmil](/molmil-images/mine/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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