6UJH
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6U5M
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6U6W
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6U8B
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4ZBQ
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![BU of 4zbq by Molmil](/molmil-images/mine/4zbq) | Crystal Structure of Equine Serum Albumin in complex with Diclofenac | 分子名称: | (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... | 著者 | Sekula, B, Bujacz, A, Bujacz, G. | 登録日 | 2015-04-15 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural Insights into the Competitive Binding of Diclofenac and Naproxen by Equine Serum Albumin. J.Med.Chem., 59, 2016
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6U8O
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6U8L
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6UJ4
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6UJL
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6UJJ
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6UHY
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![BU of 6uhy by Molmil](/molmil-images/mine/6uhy) | WDR5 in complex with Myc site fragment inhibitor | 分子名称: | 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5 | 著者 | Wang, F, Fesik, S.W. | 登録日 | 2019-09-29 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
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6UHZ
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![BU of 6uhz by Molmil](/molmil-images/mine/6uhz) | WDR5 in complex with Myc site fragment inhibitor | 分子名称: | 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5 | 著者 | Wang, F, Fesik, S.w. | 登録日 | 2019-09-29 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.258 Å) | 主引用文献 | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
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3ZPQ
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![BU of 3zpq by Molmil](/molmil-images/mine/3zpq) | Thermostabilised turkey beta1 adrenergic receptor with 4-(piperazin-1- yl)-1H-indole bound (compound 19) | 分子名称: | 4-(PIPERAZIN-1-YL)-1H-INDOLE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. | 登録日 | 2013-03-01 | 公開日 | 2013-04-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design. J.Med.Chem., 56, 2013
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6LJS
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![BU of 6ljs by Molmil](/molmil-images/mine/6ljs) | Crystal structure of human FABP4 in complex with a novel inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ... | 著者 | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | 登録日 | 2019-12-17 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J.Med.Chem., 63, 2020
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2XYN
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![BU of 2xyn by Molmil](/molmil-images/mine/2xyn) | HUMAN ABL2 IN COMPLEX WITH AURORA KINASE INHIBITOR VX-680 | 分子名称: | CHLORIDE ION, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SODIUM ION, ... | 著者 | Salah, E, Ugochukwu, E, Elkins, J.M, Barr, A.J, Shrestha, B, Savitsky, P, Mahajan, P, Muniz, J.R.C, Yue, W.W, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2010-11-18 | 公開日 | 2010-12-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Crystal Structures of Abl-Related Gene (Abl2) in Complex with Imatinib, Tozasertib (Vx-680), and a Type I Inhibitor of the Triazole Carbothioamide Class. J.Med.Chem., 54, 2011
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1JVP
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5I2N
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![BU of 5i2n by Molmil](/molmil-images/mine/5i2n) | Structure of the human GluN1/GluN2A LBD in complex with N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 29) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLUTAMIC ACID, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-02-09 | 公開日 | 2016-03-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J.Med.Chem., 59, 2016
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5I6D
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![BU of 5i6d by Molmil](/molmil-images/mine/5i6d) | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid] | 分子名称: | 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid, GLYCEROL, O-phosphoserine sulfhydrylase, ... | 著者 | Schnell, R, Maric, S, Schneider, G. | 登録日 | 2016-02-16 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. J.Med.Chem., 59, 2016
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5I7A
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![BU of 5i7a by Molmil](/molmil-images/mine/5i7a) | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 1 [3-(3-(3,4-Dichlorophenyl)ureido)benzoic acid] | 分子名称: | 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Schnell, R, Maric, S, Schneider, G. | 登録日 | 2016-02-17 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. J.Med.Chem., 59, 2016
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7JQD
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![BU of 7jqd by Molmil](/molmil-images/mine/7jqd) | Crystal Structure of PAC1r in complex with peptide antagonist | 分子名称: | Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor | 著者 | Piper, D.E, Hu, E, Fang-Tsao, H. | 登録日 | 2020-08-10 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model. J.Med.Chem., 64, 2021
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4LQG
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7KCO
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![BU of 7kco by Molmil](/molmil-images/mine/7kco) | ROR gamma in complex with SCR2 and compound 3 | 分子名称: | 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide, GLYCEROL, Nuclear receptor ROR-gamma, ... | 著者 | Durbin, J.D, Guo, S.Y, Stout, S.L, Clawson, D.K. | 登録日 | 2020-10-06 | 公開日 | 2021-04-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t). J.Med.Chem., 64, 2021
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7K0D
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7K0U
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7K03
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