6WOK
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![BU of 6wok by Molmil](/molmil-images/mine/6wok) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 | Descriptor: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S. | Deposit date: | 2020-04-24 | Release date: | 2020-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer. Acs Med.Chem.Lett., 11, 2020
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6XVH
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![BU of 6xvh by Molmil](/molmil-images/mine/6xvh) | carbonic anhydrase with bound arylsulfonamide- boronic acid | Descriptor: | (4-sulfamoylphenyl)boronic acid, Carbonic anhydrase 2, ZINC ION | Authors: | Perez, C, Zhang, B. | Deposit date: | 2020-01-22 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An easy to assemble, fully modulable, selectiv and
colorimetric artificial bio-sensor for fingerprintting
the recognition of neurotransmitters To Be Published
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6IE4
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![BU of 6ie4 by Molmil](/molmil-images/mine/6ie4) | |
6IE5
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![BU of 6ie5 by Molmil](/molmil-images/mine/6ie5) | |
6IE7
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![BU of 6ie7 by Molmil](/molmil-images/mine/6ie7) | |
6IE6
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![BU of 6ie6 by Molmil](/molmil-images/mine/6ie6) | |
6J31
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![BU of 6j31 by Molmil](/molmil-images/mine/6j31) | Crystal Structure Analysis of the Glycotransferase of kitacinnamycin | Descriptor: | (2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid), DBB-DSG-VAL-MEA-VAL-GLY-GLY-DVA-DLE, kcn28 | Authors: | Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M. | Deposit date: | 2019-01-03 | Release date: | 2020-01-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.244 Å) | Cite: | Genome mining and biosynthesis of kitacinnamycins as a STING activator. Chem Sci, 10, 2019
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6J32
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![BU of 6j32 by Molmil](/molmil-images/mine/6j32) | Crystal Structure Analysis of the Glycotransferase of kitacinnamycin | Descriptor: | Kcn28 | Authors: | Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M. | Deposit date: | 2019-01-03 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Genome mining and biosynthesis of kitacinnamycins as a STING activator. Chem Sci, 10, 2019
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6JXR
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![BU of 6jxr by Molmil](/molmil-images/mine/6jxr) | Structure of human T cell receptor-CD3 complex | Descriptor: | T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, T-cell surface glycoprotein CD3 delta chain, ... | Authors: | Dong, D, Zheng, L, Lin, J, Zhu, Y, Li, N, Zhang, B, Xie, S, Zheng, J, Wang, Y, Gao, N, Huang, Z. | Deposit date: | 2019-04-24 | Release date: | 2019-09-11 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of assembly of the human T cell receptor-CD3 complex. Nature, 573, 2019
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6MTO
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![BU of 6mto by Molmil](/molmil-images/mine/6mto) | Crystal structure of VRC42.01 Fab in complex with T117-F MPER scaffold | Descriptor: | Antibody VRC42.01 Fab heavy chain, Antibody VRC42.01 Fab light chain, VRC42 epitope T117-F scaffold | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.634 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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6MTR
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![BU of 6mtr by Molmil](/molmil-images/mine/6mtr) | Crystal structure of VRC43.01 Fab | Descriptor: | Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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6MTP
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![BU of 6mtp by Molmil](/molmil-images/mine/6mtp) | Crystal structure of VRC42.04 Fab in complex with gp41 peptide | Descriptor: | Antibody VRC42.04 Fab heavy chain, Antibody VRC42.04 Fab light chain, RV217 founder virus gp41 peptide | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.036 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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3I9N
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![BU of 3i9n by Molmil](/molmil-images/mine/3i9n) | Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose | Descriptor: | ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9K
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![BU of 3i9k by Molmil](/molmil-images/mine/3i9k) | Crystal structure of ADP ribosyl cyclase complexed with substrate NAD | Descriptor: | ADP-ribosyl cyclase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9J
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![BU of 3i9j by Molmil](/molmil-images/mine/3i9j) | Crystal structure of ADP ribosyl cyclase complexed with a substrate analog and a product nicotinamide | Descriptor: | ADP-ribosyl cyclase, NICOTINAMIDE, Nicotinamide 2-fluoro-adenine dinucleotide, ... | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9L
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![BU of 3i9l by Molmil](/molmil-images/mine/3i9l) | Crystal structure of ADP ribosyl cyclase complexed with N1-cIDPR | Descriptor: | ADP-ribosyl cyclase, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9M
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![BU of 3i9m by Molmil](/molmil-images/mine/3i9m) | Crystal structure of human CD38 complexed with an analog ara-2'F-ADPR | Descriptor: | ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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5WTF
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![BU of 5wtf by Molmil](/molmil-images/mine/5wtf) | Cryo-EM structure for Hepatitis A virus empty particle | Descriptor: | VP0, VP1, VP3 | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-11 | Release date: | 2017-01-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WTH
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![BU of 5wth by Molmil](/molmil-images/mine/5wth) | Cryo-EM structure for Hepatitis A virus complexed with FAB | Descriptor: | FAB Heavy Chain, FAB Light Chain, Polyprotein, ... | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-12 | Release date: | 2017-01-25 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WTE
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![BU of 5wte by Molmil](/molmil-images/mine/5wte) | Cryo-EM structure for Hepatitis A virus full particle | Descriptor: | VP1, VP2, VP3 | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-11 | Release date: | 2017-01-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WTG
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![BU of 5wtg by Molmil](/molmil-images/mine/5wtg) | Crystal structure of the Fab fragment of anti-HAV antibody R10 | Descriptor: | FAB Heavy chain, FAB Light chain | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-11 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.907 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3TCL
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![BU of 3tcl by Molmil](/molmil-images/mine/3tcl) | Crystal Structure of HIV-1 Neutralizing Antibody CH04 | Descriptor: | CH04 Heavy Chain Fab, CH04 Light Chain Fab, IMIDAZOLE | Authors: | Louder, R.K, McLellan, J.S, Pancera, M, Yang, Y, Zhang, B, Bonsignori, M, Kwong, P.D. | Deposit date: | 2011-08-09 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.906 Å) | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9. Nature, 480, 2011
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3V64
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![BU of 3v64 by Molmil](/molmil-images/mine/3v64) | Crystal Structure of agrin and LRP4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low-density lipoprotein receptor-related protein 4, ... | Authors: | Zong, Y, Zhang, B, Gu, S, Lee, K, Zhou, J, Yao, G, Figueiedo, D, Perry, K, Mei, L, Jin, R. | Deposit date: | 2011-12-18 | Release date: | 2012-04-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of agrin-LRP4-MuSK signaling. Genes Dev., 26, 2012
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7BUY
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![BU of 7buy by Molmil](/molmil-images/mine/7buy) | The crystal structure of COVID-19 main protease in complex with carmofur | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid | Authors: | Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z. | Deposit date: | 2020-04-08 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur. Nat.Struct.Mol.Biol., 27, 2020
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7BQY
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![BU of 7bqy by Molmil](/molmil-images/mine/7bqy) | THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-04-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
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