2GVF
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![BU of 2gvf by Molmil](/molmil-images/mine/2gvf) | HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021 | Descriptor: | (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ... | Authors: | Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V. | Deposit date: | 2006-05-02 | Release date: | 2007-01-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease. Bioorg.Med.Chem.Lett., 16, 2006
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2HE2
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![BU of 2he2 by Molmil](/molmil-images/mine/2he2) | Crystal structure of the 3rd PDZ domain of human discs large homologue 2, DLG2 | Descriptor: | Discs large homolog 2 | Authors: | Turnbull, A.P, Phillips, C, Berridge, G, Savitsky, P, Smee, C.E.A, Papagrigoriou, E, Debreczeni, J, Gorrec, F, Elkins, J.M, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-21 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
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6IEW
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![BU of 6iew by Molmil](/molmil-images/mine/6iew) | |
5Y2F
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![BU of 5y2f by Molmil](/molmil-images/mine/5y2f) | Human SIRT6 in complex with allosteric activator MDL-801 | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhang, J, Huang, Z, Song, K. | Deposit date: | 2017-07-25 | Release date: | 2018-11-07 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification of a cellularly active SIRT6 allosteric activator. Nat. Chem. Biol., 14, 2018
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7E5Y
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![BU of 7e5y by Molmil](/molmil-images/mine/7e5y) | Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD | Descriptor: | 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1 | Authors: | Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M. | Deposit date: | 2021-02-21 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries. Cell Discov, 7, 2021
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5Z1S
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![BU of 5z1s by Molmil](/molmil-images/mine/5z1s) | Crystal Structure Analysis of the BRD4(1) | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | Deposit date: | 2017-12-28 | Release date: | 2019-01-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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6IHJ
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5Z1R
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![BU of 5z1r by Molmil](/molmil-images/mine/5z1r) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | Deposit date: | 2017-12-28 | Release date: | 2019-01-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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5Z1T
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![BU of 5z1t by Molmil](/molmil-images/mine/5z1t) | Crystal Structure Analysis of the BRD4(1) | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | Deposit date: | 2017-12-28 | Release date: | 2019-01-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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4GA7
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![BU of 4ga7 by Molmil](/molmil-images/mine/4ga7) | Crystal structure of human serpinB1 mutant | Descriptor: | Leukocyte elastase inhibitor | Authors: | Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z. | Deposit date: | 2012-07-25 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of SERPINB1 as a physiological inhibitor of human granzyme H J.Immunol., 190, 2013
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4GAW
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![BU of 4gaw by Molmil](/molmil-images/mine/4gaw) | Crystal structure of active human granzyme H | Descriptor: | CHLORIDE ION, Granzyme H, SULFATE ION | Authors: | Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z. | Deposit date: | 2012-07-25 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of SERPINB1 as a physiological inhibitor of human granzyme H J.Immunol., 190, 2013
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8HNS
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![BU of 8hns by Molmil](/molmil-images/mine/8hns) | Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form | Descriptor: | GLYCEROL, anti-CRISPR protein AcrIIC4 | Authors: | Sun, W, Cheng, Z, Yang, J, Wang, Y. | Deposit date: | 2022-12-08 | Release date: | 2023-07-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation. Proc.Natl.Acad.Sci.USA, 120, 2023
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2LY7
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![BU of 2ly7 by Molmil](/molmil-images/mine/2ly7) | B-flap domain of RNA polymerase (B. subtilis) | Descriptor: | DNA-directed RNA polymerase subunit beta | Authors: | Mobli, M. | Deposit date: | 2012-09-12 | Release date: | 2014-03-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | RNA polymerase-induced remodelling of NusA produces a pause enhancement complex. Nucleic Acids Res., 43, 2015
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4HWF
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![BU of 4hwf by Molmil](/molmil-images/mine/4hwf) | Crystal structure of ATBAG3 | Descriptor: | BAG family molecular chaperone regulator 3, SULFATE ION | Authors: | Shen, Y, Fang, S. | Deposit date: | 2012-11-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana. Acta Crystallogr.,Sect.D, 69, 2013
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4HWC
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![BU of 4hwc by Molmil](/molmil-images/mine/4hwc) | Structure of ATBAG1 | Descriptor: | BAG family molecular chaperone regulator 1, CHLORIDE ION | Authors: | Shen, Y, Fang, S. | Deposit date: | 2012-11-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana. Acta Crystallogr.,Sect.D, 69, 2013
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2MVT
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![BU of 2mvt by Molmil](/molmil-images/mine/2mvt) | Solution structure of scoloptoxin SSD609 from Scolopendra mutilans | Descriptor: | Scoloptoxin SSD609 | Authors: | Wu, F, Sun, P, Wang, C, He, Y, Zhang, L, Tian, C. | Deposit date: | 2014-10-14 | Release date: | 2015-09-23 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | A distinct three-helix centipede toxin SSD609 inhibits Iks channels by interacting with the KCNE1 auxiliary subunit. Sci Rep, 5, 2015
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7E9Q
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![BU of 7e9q by Molmil](/molmil-images/mine/7e9q) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | Authors: | Wang, X.F, Zhu, Y.Q. | Deposit date: | 2021-03-04 | Release date: | 2022-03-09 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD Signal Transduct Target Ther, 7, 2022
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7E9O
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![BU of 7e9o by Molmil](/molmil-images/mine/7e9o) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(3 up RBDs, state2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | Authors: | Wang, X.F, Zhu, Y.Q. | Deposit date: | 2021-03-04 | Release date: | 2022-03-09 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD Signal Transduct Target Ther, 7, 2022
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4HWH
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![BU of 4hwh by Molmil](/molmil-images/mine/4hwh) | Crystal structure of ATBAG4 | Descriptor: | ACETATE ION, BAG family molecular chaperone regulator 4, GLYCEROL, ... | Authors: | Shen, Y, Fang, S. | Deposit date: | 2012-11-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana. Acta Crystallogr.,Sect.D, 69, 2013
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7E9P
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7E9N
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![BU of 7e9n by Molmil](/molmil-images/mine/7e9n) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 down RBD, state1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | Authors: | Wang, X.F, Zhu, Y.Q. | Deposit date: | 2021-03-04 | Release date: | 2022-04-06 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD Signal Transduct Target Ther, 7, 2022
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7ENF
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![BU of 7enf by Molmil](/molmil-images/mine/7enf) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, ... | Authors: | Wang, X.F, Zhu, Y.Q. | Deposit date: | 2021-04-16 | Release date: | 2022-04-06 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD Signal Transduct Target Ther, 7, 2022
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7ENG
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![BU of 7eng by Molmil](/molmil-images/mine/7eng) | |
2OC7
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![BU of 2oc7 by Molmil](/molmil-images/mine/2oc7) | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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8J69
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![BU of 8j69 by Molmil](/molmil-images/mine/8j69) | |