3HWP
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![BU of 3hwp by Molmil](/molmil-images/mine/3hwp) | Crystal structure and computational analyses provide insights into the catalytic mechanism of 2, 4-diacetylphloroglucinol hydrolase PhlG from Pseudomonas fluorescens | Descriptor: | CHLORIDE ION, NICKEL (II) ION, PhlG, ... | Authors: | He, Y.-X, Huang, L, Xue, Y, Fei, X, Teng, Y.-B, Zhou, C.-Z. | Deposit date: | 2009-06-18 | Release date: | 2009-12-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure and Computational Analyses Provide Insights into the Catalytic Mechanism of 2,4-Diacetylphloroglucinol Hydrolase PhlG from Pseudomonas fluorescens. J.Biol.Chem., 285, 2010
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6AEJ
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![BU of 6aej by Molmil](/molmil-images/mine/6aej) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-05 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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1QPE
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1QPJ
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![BU of 1qpj by Molmil](/molmil-images/mine/1qpj) | CRYSTAL STRUCTURE OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH STAUROSPORINE. | Descriptor: | LCK TYROSINE KINASE, STAUROSPORINE, SULFATE ION | Authors: | Zhu, X, Kim, J.L, Rose, P.E, Stover, D.R, Toledo, L.M. | Deposit date: | 1999-05-25 | Release date: | 2000-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors. Structure Fold.Des., 7, 1999
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8XAX
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8XAU
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![BU of 8xau by Molmil](/molmil-images/mine/8xau) | Cryo-EM structure of HerA | Descriptor: | ATP-binding protein | Authors: | Wang, Y, Deng, Z. | Deposit date: | 2023-12-05 | Release date: | 2024-06-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex. Cell Res., 2024
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8XAV
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![BU of 8xav by Molmil](/molmil-images/mine/8xav) | Cryo-EM structure of an anti-phage defense complex | Descriptor: | ATP-binding protein, DUF4297 | Authors: | Wang, Y, Deng, Z. | Deposit date: | 2023-12-05 | Release date: | 2024-06-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex. Cell Res., 2024
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8XAW
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8XAY
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4NQI
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![BU of 4nqi by Molmil](/molmil-images/mine/4nqi) | Structure of the N-terminal I-BAR domain (1-259) of D.Discoideum IBARa | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, SH3 domain-containing protein | Authors: | Witte, G, Faix, J, Runge-Wollmann, P. | Deposit date: | 2013-11-25 | Release date: | 2014-02-05 | Last modified: | 2014-04-02 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | The inverse BAR domain protein IBARa drives membrane remodeling to control osmoregulation, phagocytosis and cytokinesis. J.Cell.Sci., 127, 2014
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7MKM
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7MKL
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3BYM
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![BU of 3bym by Molmil](/molmil-images/mine/3bym) | X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck | Descriptor: | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J.Med.Chem., 51, 2008
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3BYU
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![BU of 3byu by Molmil](/molmil-images/mine/3byu) | co-crystal structure of Lck and aminopyrimidine reverse amide 23 | Descriptor: | 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation. J.Med.Chem., 51, 2008
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3BYO
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![BU of 3byo by Molmil](/molmil-images/mine/3byo) | X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck | Descriptor: | 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J.Med.Chem., 51, 2008
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4MKI
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![BU of 4mki by Molmil](/molmil-images/mine/4mki) | Cobalt transporter ATP-binding subunit | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Energy-coupling factor transporter ATP-binding protein EcfA2, SULFATE ION | Authors: | Yu, Y, Zhang, L, Chai, C.L, Heymann, D. | Deposit date: | 2013-09-05 | Release date: | 2013-10-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for a homodimeric ATPase subunit of an ECF transporter Protein Cell, 4, 2013
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3BYS
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![BU of 3bys by Molmil](/molmil-images/mine/3bys) | co-crystal structure of Lck and aminopyrimidine amide 10b | Descriptor: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation. J.Med.Chem., 51, 2008
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4P5Z
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![BU of 4p5z by Molmil](/molmil-images/mine/4p5z) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | Descriptor: | 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-03-20 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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7JUO
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![BU of 7juo by Molmil](/molmil-images/mine/7juo) | CBP bromodomain complexed with YF2-23 | Descriptor: | CREB-binding protein, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | Authors: | Ratia, K.M, Xiong, R, Principe, D, Li, Y, Huang, F, Rana, A, Thatcher, G. | Deposit date: | 2020-08-20 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | XP-524 is a dual-BET/EP300 inhibitor that represses oncogenic KRAS and potentiates immune checkpoint inhibition in pancreatic cancer. Proc.Natl.Acad.Sci.USA, 119, 2022
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2FTK
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![BU of 2ftk by Molmil](/molmil-images/mine/2ftk) | berylloflouride Spo0F complex with Spo0B | Descriptor: | MAGNESIUM ION, Sporulation initiation phosphotransferase B, Sporulation initiation phosphotransferase F | Authors: | Varughese, K.I. | Deposit date: | 2006-01-24 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | The Crystal Structure of Beryllofluoride Spo0F in Complex with the Phosphotransferase Spo0B Represents a Phosphotransfer Pretransition State. J.Bacteriol., 188, 2006
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8XK5
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![BU of 8xk5 by Molmil](/molmil-images/mine/8xk5) | SNB1G11 Fab bound to SFTSV glycoprotein Gn | Descriptor: | Envelopment polyprotein, mAb SNB1G11 Fab heavy chain, mAb SNB1G11 Fab light chain | Authors: | Deng, Z. | Deposit date: | 2023-12-22 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | A broadly protective antibody targeting the glycoprotein Gn inhibits severe fever with thrombocytopenia syndrome virus infection. Nat Commun, 2024
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8XK6
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![BU of 8xk6 by Molmil](/molmil-images/mine/8xk6) | S2A5 Fab bound to SFTSV glycoprotein Gn | Descriptor: | Envelopment polyprotein, mAb S2A5 Fab heavy chain, mAb S2A5 Fab light chain | Authors: | Deng, Z. | Deposit date: | 2023-12-22 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A broadly protective antibody targeting the glycoprotein Gn inhibits severe fever with thrombocytopenia syndrome virus infection. Nat Commun, 2024
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8XKF
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![BU of 8xkf by Molmil](/molmil-images/mine/8xkf) | Crystal structure of Helicobacter pylori IspDF with substrate CTP | Descriptor: | 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ... | Authors: | Chen, X, Wu, D. | Deposit date: | 2023-12-23 | Release date: | 2024-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes. Int J Antimicrob Agents, 63, 2024
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8XHU
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![BU of 8xhu by Molmil](/molmil-images/mine/8xhu) | Crystal structure of Helicobacter pylori IspDF | Descriptor: | 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ... | Authors: | Chen, X, Wu, D. | Deposit date: | 2023-12-18 | Release date: | 2024-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes. Int J Antimicrob Agents, 63, 2024
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8XKG
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![BU of 8xkg by Molmil](/molmil-images/mine/8xkg) | Crystal structure of Acinetobacter baumannii IspD | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, GLYCEROL | Authors: | Chen, X, Wu, D. | Deposit date: | 2023-12-23 | Release date: | 2024-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes. Int J Antimicrob Agents, 63, 2024
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