8I8B
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![BU of 8i8b by Molmil](/molmil-images/mine/8i8b) | Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV) | Descriptor: | 38K, AcOrf-109 peptide, Early 49 Daa protein, ... | Authors: | Jia, X, Gao, Y, Zhang, Q. | Deposit date: | 2023-02-03 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (4.31 Å) | Cite: | Architecture of the baculovirus nucleocapsid revealed by cryo-EM. Nat Commun, 14, 2023
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3KVM
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3KVK
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![BU of 3kvk by Molmil](/molmil-images/mine/3kvk) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 641 at 2.05A resolution | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid, Dihydroorotate dehydrogenase, ... | Authors: | McLean, L, Zhang, Y. | Deposit date: | 2009-11-30 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures. Bioorg.Med.Chem.Lett., 20, 2010
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7CJF
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![BU of 7cjf by Molmil](/molmil-images/mine/7cjf) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | Deposit date: | 2020-07-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes. Nat Commun, 12, 2021
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8F1D
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![BU of 8f1d by Molmil](/molmil-images/mine/8f1d) | Voltage-gated potassium channel Kv3.1 apo | Descriptor: | CHOLESTEROL, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1, ... | Authors: | Chen, Y, Ishchenko, A. | Deposit date: | 2022-11-04 | Release date: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels. Proc.Natl.Acad.Sci.USA, 120, 2023
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8F1C
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![BU of 8f1c by Molmil](/molmil-images/mine/8f1c) | Voltage-gated potassium channel Kv3.1 with novel positive modulator (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one (compound 4) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one, POTASSIUM ION, ... | Authors: | Chen, Y, Ishchenko, A. | Deposit date: | 2022-11-04 | Release date: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels. Proc.Natl.Acad.Sci.USA, 120, 2023
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7LOS
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![BU of 7los by Molmil](/molmil-images/mine/7los) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-65 | Descriptor: | 5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide, CHLORIDE ION, Non-structural protein 3, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-02-10 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LLF
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![BU of 7llf by Molmil](/molmil-images/mine/7llf) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-83 | Descriptor: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, BORIC ACID, GLYCEROL, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-02-03 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LLZ
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![BU of 7llz by Molmil](/molmil-images/mine/7llz) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-69 | Descriptor: | N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide, Non-structural protein 3, SULFATE ION, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-02-04 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LBR
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![BU of 7lbr by Molmil](/molmil-images/mine/7lbr) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-89 | Descriptor: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, GLYCEROL, Non-structural protein 3, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-01-08 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LBS
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![BU of 7lbs by Molmil](/molmil-images/mine/7lbs) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-24 | Descriptor: | 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide, BORIC ACID, GLYCEROL, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-01-08 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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4RXJ
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![BU of 4rxj by Molmil](/molmil-images/mine/4rxj) | crystal structure of WHSC1L1-PWWP2 | Descriptor: | Histone-lysine N-methyltransferase NSD3, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-11 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Histone and DNA binding ability studies of the NSD subfamily of PWWP domains. Biochem.Biophys.Res.Commun., 569, 2021
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3M45
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![BU of 3m45 by Molmil](/molmil-images/mine/3m45) | Crystal structure of Ig1 domain of mouse SynCAM 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 2 | Authors: | Yue, L, Modis, Y. | Deposit date: | 2010-03-10 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | N-glycosylation at the SynCAM (synaptic cell adhesion molecule) immunoglobulin interface modulates synaptic adhesion. J.Biol.Chem., 285, 2010
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7DNK
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![BU of 7dnk by Molmil](/molmil-images/mine/7dnk) | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 5G9 | Descriptor: | Major capsid protein L1, The heavy chain of 5G9 Fab fragment, The light chain of 5G9 Fab fragment | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | Deposit date: | 2020-12-09 | Release date: | 2020-12-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (6.41 Å) | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding. J.Virol., 95, 2021
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7DNL
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![BU of 7dnl by Molmil](/molmil-images/mine/7dnl) | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of A4B4 | Descriptor: | Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of A4B4 Fab fragment | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | Deposit date: | 2020-12-09 | Release date: | 2020-12-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (4.19 Å) | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding. J.Virol., 95, 2021
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3K0D
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![BU of 3k0d by Molmil](/molmil-images/mine/3k0d) | Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, K+ complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK | Authors: | Jiang, Y, Derebe, M.G. | Deposit date: | 2009-09-24 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore. Proc.Natl.Acad.Sci.USA, 108, 2011
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8HTR
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![BU of 8htr by Molmil](/molmil-images/mine/8htr) | Crystal structure of Bcl2 in complex with S-9c | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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8HTS
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![BU of 8hts by Molmil](/molmil-images/mine/8hts) | Crystal structure of Bcl2 in complex with S-10r | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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3K08
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![BU of 3k08 by Molmil](/molmil-images/mine/3k08) | Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, Na+ complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION | Authors: | Jiang, Y, Derebe, M.G. | Deposit date: | 2009-09-24 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore. Proc.Natl.Acad.Sci.USA, 108, 2011
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3K06
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![BU of 3k06 by Molmil](/molmil-images/mine/3k06) | Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, K+ complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK | Authors: | Jiang, Y, Derebe, M.G. | Deposit date: | 2009-09-24 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore. Proc.Natl.Acad.Sci.USA, 108, 2011
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3K0G
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![BU of 3k0g by Molmil](/molmil-images/mine/3k0g) | Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Na+ complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION | Authors: | Jiang, Y, Derebe, M.G. | Deposit date: | 2009-09-24 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore. Proc.Natl.Acad.Sci.USA, 108, 2011
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7DNH
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![BU of 7dnh by Molmil](/molmil-images/mine/7dnh) | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 2H3 | Descriptor: | Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of 2H3 Fab fragment | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | Deposit date: | 2020-12-09 | Release date: | 2020-12-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding. J.Virol., 95, 2021
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7MFB
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![BU of 7mfb by Molmil](/molmil-images/mine/7mfb) | Crystal structure of antibody 10E8v4 Fab - light chain H31F variant | Descriptor: | Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2021-04-08 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography. Antibodies, 10, 2021
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7MFA
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![BU of 7mfa by Molmil](/molmil-images/mine/7mfa) | Crystal structure of antibody 10E8v4-P100fA+P100gA Fab | Descriptor: | Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2021-04-08 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography. Antibodies, 10, 2021
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7MF7
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![BU of 7mf7 by Molmil](/molmil-images/mine/7mf7) | Crystal structure of antibody 10E8v4-P100gA Fab | Descriptor: | Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2021-04-08 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography. Antibodies, 10, 2021
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