8HBT
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![BU of 8hbt by Molmil](/molmil-images/mine/8hbt) | AmAT7-3 mutant A310G | Descriptor: | AmAT7-3-A310G, Astragaloside IV | Authors: | Wang, L.L. | Deposit date: | 2022-10-31 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus. Nat Commun, 14, 2023
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8H8I
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![BU of 8h8i by Molmil](/molmil-images/mine/8h8i) | Triterpenoid saponin acetyltransferase, AmAT7-3 | Descriptor: | AmAT7-3, Astragaloside IV | Authors: | Wang, L.L. | Deposit date: | 2022-10-22 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus. Nat Commun, 14, 2023
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4J6O
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![BU of 4j6o by Molmil](/molmil-images/mine/4j6o) | Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP | Descriptor: | CITRIC ACID, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Wang, L, Smith, P, Shuman, S. | Deposit date: | 2013-02-11 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and mechanism of the 2',3' phosphatase component of the bacterial Pnkp-Hen1 RNA repair system. Nucleic Acids Res., 41, 2013
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7LRT
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![BU of 7lrt by Molmil](/molmil-images/mine/7lrt) | |
7LRS
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![BU of 7lrs by Molmil](/molmil-images/mine/7lrs) | |
3DBZ
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![BU of 3dbz by Molmil](/molmil-images/mine/3dbz) | human surfactant protein D | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Pulmonary surfactant-associated protein D | Authors: | Head, J.F. | Deposit date: | 2008-06-02 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Interaction of recombinant surfactant protein D with lipopolysaccharide: conformation and orientation of bound protein by IRRAS and simulations. Biochemistry, 47, 2008
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7MM0
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![BU of 7mm0 by Molmil](/molmil-images/mine/7mm0) | Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody B1-182.1 that targets the receptor-binding domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B1-182.1 Fab heavy chain, ... | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | Deposit date: | 2021-04-29 | Release date: | 2021-07-28 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants. Science, 373, 2021
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7MLZ
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![BU of 7mlz by Molmil](/molmil-images/mine/7mlz) | Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody B1-182.1 that targets the receptor-binding domain | Descriptor: | B1-182.1 Fab heavy chain, B1-182.1 Fab light chain, Spike protein S1, ... | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | Deposit date: | 2021-04-29 | Release date: | 2021-07-28 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants. Science, 373, 2021
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3OQ9
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![BU of 3oq9 by Molmil](/molmil-images/mine/3oq9) | Structure of the FAS/FADD death domain assembly | Descriptor: | Protein FADD, Tumor necrosis factor receptor superfamily member 6 | Authors: | Kabaleeswaran, V, Wu, H. | Deposit date: | 2010-09-02 | Release date: | 2010-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (6.8 Å) | Cite: | The Fas-FADD death domain complex structure reveals the basis of DISC assembly and disease mutations. Nat.Struct.Mol.Biol., 17, 2010
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8JPX
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![BU of 8jpx by Molmil](/molmil-images/mine/8jpx) | Cryo-EM structure of PfAgo-guide DNA-target DNA complex | Descriptor: | Excess DNA, Guide DNA, MAGNESIUM ION, ... | Authors: | Zhuang, L. | Deposit date: | 2023-06-13 | Release date: | 2024-01-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute. Mol.Cell, 84, 2024
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7YF1
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![BU of 7yf1 by Molmil](/molmil-images/mine/7yf1) | |
3UEM
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![BU of 3uem by Molmil](/molmil-images/mine/3uem) | Crystal structure of human PDI bb'a' domains | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Protein disulfide-isomerase | Authors: | Yu, J, Wang, C, Huo, L, Feng, W, Wang, C.-C. | Deposit date: | 2011-10-30 | Release date: | 2011-11-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Human protein-disulfide isomerase is a redox-regulated chaperone activated by oxidation of domain a' J.Biol.Chem., 287, 2012
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3CIB
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![BU of 3cib by Molmil](/molmil-images/mine/3cib) | Structure of BACE Bound to SCH727596 | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | Authors: | Strickland, C, Cumming, J. | Deposit date: | 2008-03-11 | Release date: | 2008-06-10 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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4OD6
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![BU of 4od6 by Molmil](/molmil-images/mine/4od6) | Structure of Smr domain of MutS2 from Deinococcus radiodurans, Mn2+ soaked | Descriptor: | Endonuclease MutS2 | Authors: | Zhang, H, Zhao, Y, Xu, Q, Hua, Y.J. | Deposit date: | 2014-01-10 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | Structural and functional studies of MutS2 from Deinococcus radiodurans. Dna Repair, 21, 2014
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6WJ5
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![BU of 6wj5 by Molmil](/molmil-images/mine/6wj5) | Structure of human TRPA1 in complex with inhibitor GDC-0334 | Descriptor: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | Deposit date: | 2020-04-11 | Release date: | 2021-02-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment. J.Exp.Med., 218, 2021
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5GSA
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![BU of 5gsa by Molmil](/molmil-images/mine/5gsa) | EED in complex with an allosteric PRC2 inhibitor | Descriptor: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-08-15 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of Nat. Chem. Biol., 13, 2017
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4GE6
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![BU of 4ge6 by Molmil](/molmil-images/mine/4ge6) | |
4OHD
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![BU of 4ohd by Molmil](/molmil-images/mine/4ohd) | LEOPARD Syndrome-Associated SHP2/A461T mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y. | Deposit date: | 2014-01-17 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations. Biochemistry, 53, 2014
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3CJF
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![BU of 3cjf by Molmil](/molmil-images/mine/3cjf) | Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine | Descriptor: | N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2 | Authors: | Nolte, R.T. | Deposit date: | 2008-03-12 | Release date: | 2008-10-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor. J.Med.Chem., 51, 2008
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4OHI
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![BU of 4ohi by Molmil](/molmil-images/mine/4ohi) | LEOPARD Syndrome-Associated SHP2/Q510E mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y. | Deposit date: | 2014-01-17 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations. Biochemistry, 53, 2014
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5H24
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![BU of 5h24 by Molmil](/molmil-images/mine/5h24) | EED in complex with PRC2 allosteric inhibitor compound 8 | Descriptor: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-14 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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3KMC
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![BU of 3kmc by Molmil](/molmil-images/mine/3kmc) | Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | Descriptor: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ... | Authors: | Orth, P. | Deposit date: | 2009-11-10 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
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3L58
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![BU of 3l58 by Molmil](/molmil-images/mine/3l58) | Structure of BACE Bound to SCH589432 | Descriptor: | Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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3L5B
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![BU of 3l5b by Molmil](/molmil-images/mine/3l5b) | Structure of BACE Bound to SCH713601 | Descriptor: | (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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3L5E
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![BU of 3l5e by Molmil](/molmil-images/mine/3l5e) | Structure of BACE Bound to SCH736062 | Descriptor: | (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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