7KDB
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![BU of 7kdb by Molmil](/molmil-images/mine/7kdb) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 35 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-10-08 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
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7KCC
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![BU of 7kcc by Molmil](/molmil-images/mine/7kcc) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270 | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-10-05 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
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4W8F
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![BU of 4w8f by Molmil](/molmil-images/mine/4w8f) | Crystal structure of the dynein motor domain in the AMPPNP-bound state | Descriptor: | Dynein heavy chain lysozyme chimera, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Cheng, H.-C, Bhabha, G, Zhang, N, Vale, R.D. | Deposit date: | 2014-08-24 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.541 Å) | Cite: | Allosteric communication in the Dynein motor domain. Cell, 159, 2014
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8J4U
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6KV5
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![BU of 6kv5 by Molmil](/molmil-images/mine/6kv5) | Structure of influenza D virus apo polymerase | Descriptor: | Polymerase 3, Polymerase PB2, RNA-directed RNA polymerase catalytic subunit | Authors: | Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y. | Deposit date: | 2019-09-03 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural insight into RNA synthesis by influenza D polymerase. Nat Microbiol, 4, 2019
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3D7H
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1K3Z
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![BU of 1k3z by Molmil](/molmil-images/mine/1k3z) | X-ray crystal structure of the IkBb/NF-kB p65 homodimer complex | Descriptor: | Transcription factor p65, transcription factor inhibitor I-kappa-B-beta | Authors: | Shiva, M, Huang, D.B, Chen, Y, Huxford, T, Ghosh, S, Ghosh, G. | Deposit date: | 2001-10-04 | Release date: | 2002-10-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray crystal structure of an IkappaBbeta x NF-kappaB p65 homodimer complex. J.Biol.Chem., 278, 2003
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6B88
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![BU of 6b88 by Molmil](/molmil-images/mine/6b88) | E. coli LepB in complex with GNE0775 ((4S,7S,10S)-10-((S)-4-amino-2-(2-(4-(tert-butyl)phenyl)-4-methylpyrimidine-5-carboxamido)-N-methylbutanamido)-16,26-bis(2-aminoethoxy)-N-(2-iminoethyl)-7-methyl-6,9-dioxo-5,8-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-carboxamide) | Descriptor: | (8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide, PENTAETHYLENE GLYCOL, Signal peptidase I | Authors: | Murray, J.M, Rouge, L. | Deposit date: | 2017-10-05 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.407 Å) | Cite: | Optimized arylomycins are a new class of Gram-negative antibiotics. Nature, 561, 2018
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3D7D
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3D7G
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3D7F
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3QPM
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![BU of 3qpm by Molmil](/molmil-images/mine/3qpm) | Crystal structure of peroxiredoxin Prx4 from Pseudosciaena crocea | Descriptor: | GLYCEROL, Peroxiredoxin | Authors: | Lian, F.M, Teng, Y.B, Jiang, Y.L, He, Y.X, Chen, Y, Zhou, C.Z. | Deposit date: | 2011-02-14 | Release date: | 2012-02-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The N-terminal beta-sheet of peroxiredoxin Prx4 in the large yellow croaker Pseudosciaena crocea is critical for its peroxidase and anti-bacterial activities To be Published
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3GRW
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![BU of 3grw by Molmil](/molmil-images/mine/3grw) | FGFR3 in complex with a Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | Authors: | Wiesmann, C. | Deposit date: | 2009-03-26 | Release date: | 2009-05-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antibody-based targeting of FGFR3 in bladder carcinoma and t(4;14)-positive multiple myeloma in mice. J.Clin.Invest., 119, 2009
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2OS5
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![BU of 2os5 by Molmil](/molmil-images/mine/2os5) | Macrophage migration inhibitory factor from Ancylostoma ceylanicum | Descriptor: | AceMIF, SULFATE ION | Authors: | Cho, Y, Lolis, E. | Deposit date: | 2007-02-05 | Release date: | 2007-06-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional characterization of a secreted hookworm Macrophage Migration Inhibitory Factor (MIF) that interacts with the human MIF receptor CD74. J.Biol.Chem., 282, 2007
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7X08
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![BU of 7x08 by Molmil](/molmil-images/mine/7x08) | S protein of SARS-CoV-2 in complex with 2G1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | Deposit date: | 2022-02-21 | Release date: | 2022-03-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD. Cell Discov, 8, 2022
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2NV4
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![BU of 2nv4 by Molmil](/molmil-images/mine/2nv4) | Crystal structure of UPF0066 protein AF0241 in complex with S-adenosylmethionine. Northeast Structural Genomics Consortium target GR27 | Descriptor: | ACETATE ION, S-ADENOSYLMETHIONINE, UPF0066 protein AF_0241 | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Vorobiev, S.M, Fang, Y, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-10 | Release date: | 2006-11-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional insights from structural genomics. J.Struct.Funct.Genom., 8, 2007
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8Y1J
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5XSR
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![BU of 5xsr by Molmil](/molmil-images/mine/5xsr) | novel orally efficacious inhibitors complexed with PARP1 | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-06-15 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
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3QWA
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![BU of 3qwa by Molmil](/molmil-images/mine/3qwa) | Crystal structure of Saccharomyces cerevisiae Zeta-crystallin-like quinone oxidoreductase Zta1 | Descriptor: | Probable quinone oxidoreductase | Authors: | Guo, P.C, Ma, X.X, Bao, Z.Z, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2011-02-27 | Release date: | 2012-02-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into the cofactor-assisted substrate recognition of yeast quinone oxidoreductase Zta1 J.Struct.Biol., 176, 2011
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7WCW
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![BU of 7wcw by Molmil](/molmil-images/mine/7wcw) | Crystal structure of FGFR4(V550L) kinase domain with 7v | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | Authors: | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.317 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCX
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![BU of 7wcx by Molmil](/molmil-images/mine/7wcx) | Crystal structure of FGFR4(V550M) kinase domain with 7v | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | Authors: | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.175 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCT
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![BU of 7wct by Molmil](/molmil-images/mine/7wct) | Crystal structure of FGFR4 kinase domain with 7v | Descriptor: | Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ... | Authors: | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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3QWB
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![BU of 3qwb by Molmil](/molmil-images/mine/3qwb) | Crystal structure of Saccharomyces cerevisiae Zeta-crystallin-like quinone oxidoreductase Zta1 complexed with NADPH | Descriptor: | GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable quinone oxidoreductase | Authors: | Guo, P.C, Ma, X.X, Bao, Z.Z, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2011-02-28 | Release date: | 2012-02-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural insights into the cofactor-assisted substrate recognition of yeast quinone oxidoreductase Zta1 J.Struct.Biol., 176, 2011
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6P5W
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![BU of 6p5w by Molmil](/molmil-images/mine/6p5w) | Structure of DCN1 bound to 3-methyl-N-((4S,5S)-3-methyl-6-oxo-1-phenyl-4-(p-tolyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide | Descriptor: | 3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide, Lysozyme,DCN1-like protein 1 chimera | Authors: | Guy, R.K, Kim, H.S, Hammill, J.T, Scott, D.C, Schulman, B.A. | Deposit date: | 2019-05-31 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation. J.Med.Chem., 62, 2019
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3RX3
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![BU of 3rx3 by Molmil](/molmil-images/mine/3rx3) | Crystal Structure of Human Aldose Reductase Complexed with Sulindac | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | Deposit date: | 2011-05-10 | Release date: | 2011-11-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase. Febs Lett., 586, 2012
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